Manganese in PDB 1cs0: Crystal Structure of Carbamoyl Phosphate Synthetase Complexed at CYS269 in the Small Subunit with the Tetrahedral Mimic L-Glutamate Gamma-Semialdehyde
Enzymatic activity of Crystal Structure of Carbamoyl Phosphate Synthetase Complexed at CYS269 in the Small Subunit with the Tetrahedral Mimic L-Glutamate Gamma-Semialdehyde
All present enzymatic activity of Crystal Structure of Carbamoyl Phosphate Synthetase Complexed at CYS269 in the Small Subunit with the Tetrahedral Mimic L-Glutamate Gamma-Semialdehyde:
6.3.5.5;
Protein crystallography data
The structure of Crystal Structure of Carbamoyl Phosphate Synthetase Complexed at CYS269 in the Small Subunit with the Tetrahedral Mimic L-Glutamate Gamma-Semialdehyde, PDB code: 1cs0
was solved by
J.B.Thoden,
X.Huang,
F.M.Raushel,
H.M.Holden,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
30.00 /
2.00
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
151.700,
163.800,
332.600,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
n/a /
n/a
|
Other elements in 1cs0:
The structure of Crystal Structure of Carbamoyl Phosphate Synthetase Complexed at CYS269 in the Small Subunit with the Tetrahedral Mimic L-Glutamate Gamma-Semialdehyde also contains other interesting chemical elements:
Manganese Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
12;
Binding sites:
The binding sites of Manganese atom in the Crystal Structure of Carbamoyl Phosphate Synthetase Complexed at CYS269 in the Small Subunit with the Tetrahedral Mimic L-Glutamate Gamma-Semialdehyde
(pdb code 1cs0). This binding sites where shown within
5.0 Angstroms radius around Manganese atom.
In total 12 binding sites of Manganese where determined in the
Crystal Structure of Carbamoyl Phosphate Synthetase Complexed at CYS269 in the Small Subunit with the Tetrahedral Mimic L-Glutamate Gamma-Semialdehyde, PDB code: 1cs0:
Jump to Manganese binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Manganese binding site 1 out
of 12 in 1cs0
Go back to
Manganese Binding Sites List in 1cs0
Manganese binding site 1 out
of 12 in the Crystal Structure of Carbamoyl Phosphate Synthetase Complexed at CYS269 in the Small Subunit with the Tetrahedral Mimic L-Glutamate Gamma-Semialdehyde
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 1 of Crystal Structure of Carbamoyl Phosphate Synthetase Complexed at CYS269 in the Small Subunit with the Tetrahedral Mimic L-Glutamate Gamma-Semialdehyde within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn5001
b:21.2
occ:1.00
|
O3B
|
A:ADP5000
|
1.9
|
16.4
|
1.0
|
OD1
|
A:ASN301
|
2.0
|
19.8
|
1.0
|
O1
|
A:PO45005
|
2.0
|
24.4
|
1.0
|
O
|
A:HOH5158
|
2.2
|
13.3
|
1.0
|
OE1
|
A:GLU299
|
2.3
|
17.9
|
1.0
|
OE2
|
A:GLU299
|
2.3
|
14.6
|
1.0
|
CD
|
A:GLU299
|
2.6
|
21.4
|
1.0
|
CG
|
A:ASN301
|
3.0
|
14.1
|
1.0
|
PB
|
A:ADP5000
|
3.2
|
19.4
|
1.0
|
P
|
A:PO45005
|
3.4
|
18.9
|
1.0
|
O1B
|
A:ADP5000
|
3.4
|
14.3
|
1.0
|
ND2
|
A:ASN301
|
3.5
|
18.3
|
1.0
|
MN
|
A:MN5002
|
3.6
|
18.1
|
1.0
|
O3
|
A:PO45005
|
3.7
|
12.6
|
1.0
|
K
|
A:K5004
|
3.7
|
21.6
|
1.0
|
CB
|
A:MET174
|
3.8
|
20.8
|
1.0
|
CG
|
A:GLU299
|
4.0
|
11.2
|
1.0
|
O3A
|
A:ADP5000
|
4.2
|
17.7
|
1.0
|
O2B
|
A:ADP5000
|
4.2
|
17.1
|
1.0
|
O4
|
A:PO45005
|
4.2
|
22.5
|
1.0
|
O
|
A:HOH5237
|
4.2
|
20.1
|
1.0
|
NH2
|
A:ARG129
|
4.2
|
16.2
|
1.0
|
NH2
|
A:ARG303
|
4.2
|
13.3
|
1.0
|
O2
|
A:PO45005
|
4.3
|
15.1
|
1.0
|
O
|
A:THR173
|
4.3
|
25.0
|
1.0
|
CA
|
A:MET174
|
4.3
|
11.0
|
1.0
|
CB
|
A:ASN301
|
4.4
|
18.4
|
1.0
|
O1A
|
A:ADP5000
|
4.5
|
12.4
|
1.0
|
NH1
|
A:ARG129
|
4.7
|
16.4
|
1.0
|
OE1
|
A:GLN285
|
4.8
|
16.6
|
1.0
|
PA
|
A:ADP5000
|
4.8
|
23.2
|
1.0
|
CZ
|
A:ARG129
|
4.9
|
17.1
|
1.0
|
CB
|
A:GLU299
|
5.0
|
13.3
|
1.0
|
|
Manganese binding site 2 out
of 12 in 1cs0
Go back to
Manganese Binding Sites List in 1cs0
Manganese binding site 2 out
of 12 in the Crystal Structure of Carbamoyl Phosphate Synthetase Complexed at CYS269 in the Small Subunit with the Tetrahedral Mimic L-Glutamate Gamma-Semialdehyde
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 2 of Crystal Structure of Carbamoyl Phosphate Synthetase Complexed at CYS269 in the Small Subunit with the Tetrahedral Mimic L-Glutamate Gamma-Semialdehyde within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn5002
b:18.1
occ:1.00
|
OE1
|
A:GLN285
|
1.9
|
16.6
|
1.0
|
O
|
A:HOH5157
|
2.1
|
25.9
|
1.0
|
O3
|
A:PO45005
|
2.1
|
12.6
|
1.0
|
O1A
|
A:ADP5000
|
2.1
|
12.4
|
1.0
|
O1B
|
A:ADP5000
|
2.1
|
14.3
|
1.0
|
OE2
|
A:GLU299
|
2.3
|
14.6
|
1.0
|
CD
|
A:GLN285
|
3.0
|
25.4
|
1.0
|
P
|
A:PO45005
|
3.1
|
18.9
|
1.0
|
PB
|
A:ADP5000
|
3.2
|
19.4
|
1.0
|
PA
|
A:ADP5000
|
3.3
|
23.2
|
1.0
|
CD
|
A:GLU299
|
3.4
|
21.4
|
1.0
|
O1
|
A:PO45005
|
3.4
|
24.4
|
1.0
|
NE2
|
A:GLN285
|
3.4
|
13.0
|
1.0
|
O3B
|
A:ADP5000
|
3.5
|
16.4
|
1.0
|
O3A
|
A:ADP5000
|
3.6
|
17.7
|
1.0
|
O4
|
A:PO45005
|
3.6
|
22.5
|
1.0
|
MN
|
A:MN5001
|
3.6
|
21.2
|
1.0
|
K
|
A:K5021
|
3.7
|
30.1
|
1.0
|
NE2
|
A:HIS243
|
3.8
|
13.1
|
1.0
|
CG
|
A:GLU299
|
3.9
|
11.2
|
1.0
|
OE1
|
A:GLU299
|
4.2
|
17.9
|
1.0
|
CE1
|
A:HIS243
|
4.3
|
15.5
|
1.0
|
O2A
|
A:ADP5000
|
4.3
|
17.6
|
1.0
|
ND2
|
A:ASN301
|
4.3
|
18.3
|
1.0
|
CG
|
A:GLN285
|
4.3
|
20.0
|
1.0
|
O5'
|
A:ADP5000
|
4.3
|
17.0
|
1.0
|
O2
|
A:PO45005
|
4.4
|
15.1
|
1.0
|
C5'
|
A:ADP5000
|
4.4
|
18.2
|
1.0
|
OG1
|
A:THR244
|
4.4
|
25.0
|
1.0
|
O2B
|
A:ADP5000
|
4.5
|
17.1
|
1.0
|
O3'
|
A:ADP5000
|
4.5
|
11.3
|
1.0
|
CD2
|
A:HIS243
|
4.7
|
25.9
|
1.0
|
OD1
|
A:ASN301
|
4.8
|
19.8
|
1.0
|
CG
|
A:ASN301
|
5.0
|
14.1
|
1.0
|
|
Manganese binding site 3 out
of 12 in 1cs0
Go back to
Manganese Binding Sites List in 1cs0
Manganese binding site 3 out
of 12 in the Crystal Structure of Carbamoyl Phosphate Synthetase Complexed at CYS269 in the Small Subunit with the Tetrahedral Mimic L-Glutamate Gamma-Semialdehyde
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 3 of Crystal Structure of Carbamoyl Phosphate Synthetase Complexed at CYS269 in the Small Subunit with the Tetrahedral Mimic L-Glutamate Gamma-Semialdehyde within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn5007
b:28.6
occ:1.00
|
O3B
|
A:ADP5006
|
2.0
|
26.0
|
1.0
|
O2A
|
A:ADP5006
|
2.1
|
20.8
|
1.0
|
OE1
|
A:GLN829
|
2.2
|
29.9
|
1.0
|
O
|
A:HOH5165
|
2.4
|
26.7
|
1.0
|
OE2
|
A:GLU841
|
2.4
|
21.7
|
1.0
|
O
|
A:HOH5948
|
2.7
|
53.5
|
1.0
|
CD
|
A:GLN829
|
3.2
|
29.3
|
1.0
|
PB
|
A:ADP5006
|
3.3
|
24.8
|
1.0
|
PA
|
A:ADP5006
|
3.3
|
27.0
|
1.0
|
CD
|
A:GLU841
|
3.3
|
32.0
|
1.0
|
O3A
|
A:ADP5006
|
3.6
|
23.2
|
1.0
|
NE2
|
A:GLN829
|
3.8
|
25.7
|
1.0
|
CG
|
A:GLU841
|
3.8
|
16.3
|
1.0
|
K
|
A:K5008
|
3.9
|
42.6
|
1.0
|
O2B
|
A:ADP5006
|
4.2
|
53.3
|
1.0
|
OE1
|
A:GLU841
|
4.2
|
51.3
|
1.0
|
O1A
|
A:ADP5006
|
4.3
|
51.1
|
1.0
|
O
|
A:HOH5166
|
4.3
|
31.8
|
1.0
|
O1B
|
A:ADP5006
|
4.3
|
24.8
|
1.0
|
O5'
|
A:ADP5006
|
4.3
|
19.1
|
1.0
|
ND2
|
A:ASN843
|
4.4
|
26.6
|
1.0
|
CG
|
A:GLN829
|
4.4
|
21.7
|
1.0
|
C5'
|
A:ADP5006
|
4.4
|
23.9
|
1.0
|
O3'
|
A:ADP5006
|
4.5
|
18.0
|
1.0
|
OG
|
A:SER789
|
4.5
|
28.3
|
1.0
|
NE2
|
A:HIS788
|
4.7
|
25.9
|
1.0
|
CE1
|
A:HIS788
|
4.8
|
20.5
|
1.0
|
C3'
|
A:ADP5006
|
4.9
|
16.8
|
1.0
|
|
Manganese binding site 4 out
of 12 in 1cs0
Go back to
Manganese Binding Sites List in 1cs0
Manganese binding site 4 out
of 12 in the Crystal Structure of Carbamoyl Phosphate Synthetase Complexed at CYS269 in the Small Subunit with the Tetrahedral Mimic L-Glutamate Gamma-Semialdehyde
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 4 of Crystal Structure of Carbamoyl Phosphate Synthetase Complexed at CYS269 in the Small Subunit with the Tetrahedral Mimic L-Glutamate Gamma-Semialdehyde within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mn5024
b:17.0
occ:1.00
|
O3B
|
C:ADP5023
|
1.9
|
15.4
|
1.0
|
O1
|
C:PO45028
|
2.0
|
12.2
|
1.0
|
OD1
|
C:ASN301
|
2.1
|
16.1
|
1.0
|
O
|
C:HOH1157
|
2.2
|
18.6
|
1.0
|
OE1
|
C:GLU299
|
2.2
|
14.7
|
1.0
|
OE2
|
C:GLU299
|
2.3
|
17.0
|
1.0
|
CD
|
C:GLU299
|
2.6
|
22.7
|
1.0
|
CG
|
C:ASN301
|
3.1
|
25.5
|
1.0
|
PB
|
C:ADP5023
|
3.2
|
19.9
|
1.0
|
P
|
C:PO45028
|
3.3
|
17.6
|
1.0
|
ND2
|
C:ASN301
|
3.5
|
11.2
|
1.0
|
O1B
|
C:ADP5023
|
3.5
|
29.6
|
1.0
|
O3
|
C:PO45028
|
3.6
|
10.4
|
1.0
|
MN
|
C:MN5025
|
3.6
|
18.6
|
1.0
|
K
|
C:K5027
|
3.7
|
22.0
|
1.0
|
CB
|
C:MET174
|
3.9
|
18.6
|
1.0
|
O
|
C:HOH1236
|
4.0
|
17.1
|
1.0
|
CG
|
C:GLU299
|
4.1
|
5.2
|
1.0
|
O3A
|
C:ADP5023
|
4.2
|
15.0
|
1.0
|
O2
|
C:PO45028
|
4.2
|
10.7
|
1.0
|
NH2
|
C:ARG303
|
4.2
|
14.2
|
1.0
|
O2B
|
C:ADP5023
|
4.3
|
20.4
|
1.0
|
O4
|
C:PO45028
|
4.3
|
13.8
|
1.0
|
O
|
C:THR173
|
4.3
|
18.6
|
1.0
|
NH2
|
C:ARG129
|
4.3
|
19.1
|
1.0
|
CA
|
C:MET174
|
4.4
|
21.2
|
1.0
|
CB
|
C:ASN301
|
4.4
|
11.8
|
1.0
|
O1A
|
C:ADP5023
|
4.5
|
16.4
|
1.0
|
OE1
|
C:GLN285
|
4.7
|
15.0
|
1.0
|
PA
|
C:ADP5023
|
4.8
|
13.8
|
1.0
|
O
|
C:HOH1850
|
4.8
|
28.2
|
1.0
|
NH1
|
C:ARG129
|
4.9
|
21.2
|
1.0
|
CB
|
C:GLU299
|
5.0
|
10.7
|
1.0
|
|
Manganese binding site 5 out
of 12 in 1cs0
Go back to
Manganese Binding Sites List in 1cs0
Manganese binding site 5 out
of 12 in the Crystal Structure of Carbamoyl Phosphate Synthetase Complexed at CYS269 in the Small Subunit with the Tetrahedral Mimic L-Glutamate Gamma-Semialdehyde
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 5 of Crystal Structure of Carbamoyl Phosphate Synthetase Complexed at CYS269 in the Small Subunit with the Tetrahedral Mimic L-Glutamate Gamma-Semialdehyde within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mn5025
b:18.6
occ:1.00
|
O3
|
C:PO45028
|
2.0
|
10.4
|
1.0
|
OE1
|
C:GLN285
|
2.0
|
15.0
|
1.0
|
O1A
|
C:ADP5023
|
2.0
|
16.4
|
1.0
|
O
|
C:HOH1156
|
2.2
|
17.9
|
1.0
|
O1B
|
C:ADP5023
|
2.2
|
29.6
|
1.0
|
OE2
|
C:GLU299
|
2.3
|
17.0
|
1.0
|
CD
|
C:GLN285
|
3.0
|
8.6
|
1.0
|
P
|
C:PO45028
|
3.2
|
17.6
|
1.0
|
PB
|
C:ADP5023
|
3.2
|
19.9
|
1.0
|
PA
|
C:ADP5023
|
3.3
|
13.8
|
1.0
|
NE2
|
C:GLN285
|
3.3
|
16.9
|
1.0
|
CD
|
C:GLU299
|
3.3
|
22.7
|
1.0
|
O1
|
C:PO45028
|
3.5
|
12.2
|
1.0
|
O3B
|
C:ADP5023
|
3.5
|
15.4
|
1.0
|
O3A
|
C:ADP5023
|
3.6
|
15.0
|
1.0
|
MN
|
C:MN5024
|
3.6
|
17.0
|
1.0
|
K
|
C:K5044
|
3.7
|
32.5
|
1.0
|
O4
|
C:PO45028
|
3.8
|
13.8
|
1.0
|
NE2
|
C:HIS243
|
3.8
|
10.4
|
1.0
|
CG
|
C:GLU299
|
3.9
|
5.2
|
1.0
|
OE1
|
C:GLU299
|
4.2
|
14.7
|
1.0
|
CE1
|
C:HIS243
|
4.2
|
12.6
|
1.0
|
ND2
|
C:ASN301
|
4.2
|
11.2
|
1.0
|
O5'
|
C:ADP5023
|
4.3
|
12.7
|
1.0
|
O2
|
C:PO45028
|
4.3
|
10.7
|
1.0
|
O2A
|
C:ADP5023
|
4.3
|
13.7
|
1.0
|
C5'
|
C:ADP5023
|
4.3
|
21.1
|
1.0
|
O3'
|
C:ADP5023
|
4.4
|
16.8
|
1.0
|
CG
|
C:GLN285
|
4.4
|
12.7
|
1.0
|
OG1
|
C:THR244
|
4.4
|
19.8
|
1.0
|
O2B
|
C:ADP5023
|
4.5
|
20.4
|
1.0
|
CD2
|
C:HIS243
|
4.6
|
17.5
|
1.0
|
OD1
|
C:ASN301
|
4.8
|
16.1
|
1.0
|
CG
|
C:ASN301
|
4.9
|
25.5
|
1.0
|
|
Manganese binding site 6 out
of 12 in 1cs0
Go back to
Manganese Binding Sites List in 1cs0
Manganese binding site 6 out
of 12 in the Crystal Structure of Carbamoyl Phosphate Synthetase Complexed at CYS269 in the Small Subunit with the Tetrahedral Mimic L-Glutamate Gamma-Semialdehyde
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 6 of Crystal Structure of Carbamoyl Phosphate Synthetase Complexed at CYS269 in the Small Subunit with the Tetrahedral Mimic L-Glutamate Gamma-Semialdehyde within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mn5030
b:37.3
occ:1.00
|
O3B
|
C:ADP5029
|
2.0
|
41.4
|
1.0
|
OE2
|
C:GLU841
|
2.2
|
33.9
|
1.0
|
O2A
|
C:ADP5029
|
2.2
|
25.0
|
1.0
|
OE1
|
C:GLN829
|
2.2
|
61.0
|
1.0
|
O
|
C:HOH1851
|
2.4
|
36.7
|
1.0
|
O
|
C:HOH1164
|
2.5
|
35.5
|
1.0
|
CD
|
C:GLN829
|
3.0
|
30.0
|
1.0
|
CD
|
C:GLU841
|
3.2
|
42.5
|
1.0
|
NE2
|
C:GLN829
|
3.3
|
50.6
|
1.0
|
PB
|
C:ADP5029
|
3.4
|
35.4
|
1.0
|
PA
|
C:ADP5029
|
3.4
|
33.2
|
1.0
|
O3A
|
C:ADP5029
|
3.7
|
36.4
|
1.0
|
CG
|
C:GLU841
|
3.9
|
38.4
|
1.0
|
K
|
C:K5031
|
4.0
|
48.0
|
1.0
|
OE1
|
C:GLU841
|
4.0
|
36.6
|
1.0
|
O2B
|
C:ADP5029
|
4.2
|
49.1
|
1.0
|
ND2
|
C:ASN843
|
4.3
|
53.8
|
1.0
|
O1B
|
C:ADP5029
|
4.4
|
51.5
|
1.0
|
O1A
|
C:ADP5029
|
4.4
|
38.9
|
1.0
|
O
|
C:HOH1165
|
4.4
|
26.6
|
1.0
|
O5'
|
C:ADP5029
|
4.4
|
32.3
|
1.0
|
CG
|
C:GLN829
|
4.4
|
54.0
|
1.0
|
C5'
|
C:ADP5029
|
4.5
|
24.1
|
1.0
|
O3'
|
C:ADP5029
|
4.5
|
25.9
|
1.0
|
NE2
|
C:HIS788
|
4.5
|
28.2
|
1.0
|
OG
|
C:SER789
|
4.6
|
30.6
|
1.0
|
CE1
|
C:HIS788
|
4.7
|
24.7
|
1.0
|
C3'
|
C:ADP5029
|
5.0
|
19.3
|
1.0
|
|
Manganese binding site 7 out
of 12 in 1cs0
Go back to
Manganese Binding Sites List in 1cs0
Manganese binding site 7 out
of 12 in the Crystal Structure of Carbamoyl Phosphate Synthetase Complexed at CYS269 in the Small Subunit with the Tetrahedral Mimic L-Glutamate Gamma-Semialdehyde
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 7 of Crystal Structure of Carbamoyl Phosphate Synthetase Complexed at CYS269 in the Small Subunit with the Tetrahedral Mimic L-Glutamate Gamma-Semialdehyde within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Mn5047
b:19.8
occ:1.00
|
O3B
|
E:ADP5046
|
2.0
|
16.1
|
1.0
|
O
|
E:HOH5140
|
2.0
|
22.2
|
1.0
|
O1
|
E:PO45051
|
2.0
|
17.5
|
1.0
|
OE2
|
E:GLU299
|
2.2
|
17.9
|
1.0
|
OD1
|
E:ASN301
|
2.2
|
17.2
|
1.0
|
OE1
|
E:GLU299
|
2.4
|
18.6
|
1.0
|
CD
|
E:GLU299
|
2.6
|
13.2
|
1.0
|
PB
|
E:ADP5046
|
3.2
|
16.9
|
1.0
|
CG
|
E:ASN301
|
3.2
|
20.4
|
1.0
|
O1B
|
E:ADP5046
|
3.3
|
17.1
|
1.0
|
P
|
E:PO45051
|
3.3
|
18.8
|
1.0
|
O3
|
E:PO45051
|
3.5
|
16.9
|
1.0
|
ND2
|
E:ASN301
|
3.5
|
15.7
|
1.0
|
MN
|
E:MN5048
|
3.6
|
19.7
|
1.0
|
K
|
E:K5050
|
3.8
|
22.8
|
1.0
|
CB
|
E:MET174
|
3.9
|
9.5
|
1.0
|
CG
|
E:GLU299
|
4.1
|
11.1
|
1.0
|
O4
|
E:PO45051
|
4.1
|
16.8
|
1.0
|
O3A
|
E:ADP5046
|
4.2
|
18.6
|
1.0
|
O2B
|
E:ADP5046
|
4.2
|
19.8
|
1.0
|
O
|
E:HOH5218
|
4.2
|
18.5
|
1.0
|
NH2
|
E:ARG303
|
4.3
|
18.2
|
1.0
|
O2
|
E:PO45051
|
4.3
|
18.7
|
1.0
|
CA
|
E:MET174
|
4.3
|
19.5
|
1.0
|
O
|
E:THR173
|
4.4
|
16.6
|
1.0
|
O1A
|
E:ADP5046
|
4.5
|
19.9
|
1.0
|
NH2
|
E:ARG129
|
4.5
|
19.0
|
1.0
|
CB
|
E:ASN301
|
4.6
|
19.8
|
1.0
|
PA
|
E:ADP5046
|
4.8
|
19.9
|
1.0
|
OE1
|
E:GLN285
|
4.8
|
21.2
|
1.0
|
N
|
E:GLY175
|
4.9
|
17.9
|
1.0
|
CB
|
E:GLU299
|
5.0
|
10.1
|
1.0
|
|
Manganese binding site 8 out
of 12 in 1cs0
Go back to
Manganese Binding Sites List in 1cs0
Manganese binding site 8 out
of 12 in the Crystal Structure of Carbamoyl Phosphate Synthetase Complexed at CYS269 in the Small Subunit with the Tetrahedral Mimic L-Glutamate Gamma-Semialdehyde
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 8 of Crystal Structure of Carbamoyl Phosphate Synthetase Complexed at CYS269 in the Small Subunit with the Tetrahedral Mimic L-Glutamate Gamma-Semialdehyde within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Mn5048
b:19.7
occ:1.00
|
O3
|
E:PO45051
|
2.1
|
16.9
|
1.0
|
O1A
|
E:ADP5046
|
2.1
|
19.9
|
1.0
|
O1B
|
E:ADP5046
|
2.1
|
17.1
|
1.0
|
OE1
|
E:GLN285
|
2.1
|
21.2
|
1.0
|
OE2
|
E:GLU299
|
2.3
|
17.9
|
1.0
|
O
|
E:HOH5139
|
2.4
|
16.2
|
1.0
|
CD
|
E:GLN285
|
3.1
|
18.1
|
1.0
|
PB
|
E:ADP5046
|
3.2
|
16.9
|
1.0
|
P
|
E:PO45051
|
3.3
|
18.8
|
1.0
|
PA
|
E:ADP5046
|
3.3
|
19.9
|
1.0
|
NE2
|
E:GLN285
|
3.4
|
20.2
|
1.0
|
CD
|
E:GLU299
|
3.4
|
13.2
|
1.0
|
O3A
|
E:ADP5046
|
3.5
|
18.6
|
1.0
|
MN
|
E:MN5047
|
3.6
|
19.8
|
1.0
|
O1
|
E:PO45051
|
3.6
|
17.5
|
1.0
|
O3B
|
E:ADP5046
|
3.6
|
16.1
|
1.0
|
K
|
E:K5067
|
3.7
|
27.6
|
1.0
|
NE2
|
E:HIS243
|
3.8
|
9.8
|
1.0
|
O4
|
E:PO45051
|
3.8
|
16.8
|
1.0
|
CG
|
E:GLU299
|
4.0
|
11.1
|
1.0
|
CE1
|
E:HIS243
|
4.1
|
14.7
|
1.0
|
O5'
|
E:ADP5046
|
4.3
|
18.7
|
1.0
|
OG1
|
E:THR244
|
4.3
|
18.1
|
1.0
|
OE1
|
E:GLU299
|
4.3
|
18.6
|
1.0
|
ND2
|
E:ASN301
|
4.4
|
15.7
|
1.0
|
O2A
|
E:ADP5046
|
4.4
|
16.2
|
1.0
|
O3'
|
E:ADP5046
|
4.4
|
15.4
|
1.0
|
O2
|
E:PO45051
|
4.4
|
18.7
|
1.0
|
C5'
|
E:ADP5046
|
4.5
|
9.2
|
1.0
|
CG
|
E:GLN285
|
4.5
|
18.5
|
1.0
|
O2B
|
E:ADP5046
|
4.5
|
19.8
|
1.0
|
CD2
|
E:HIS243
|
4.7
|
16.4
|
1.0
|
OD1
|
E:ASN301
|
4.9
|
17.2
|
1.0
|
C3'
|
E:ADP5046
|
5.0
|
25.1
|
1.0
|
|
Manganese binding site 9 out
of 12 in 1cs0
Go back to
Manganese Binding Sites List in 1cs0
Manganese binding site 9 out
of 12 in the Crystal Structure of Carbamoyl Phosphate Synthetase Complexed at CYS269 in the Small Subunit with the Tetrahedral Mimic L-Glutamate Gamma-Semialdehyde
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 9 of Crystal Structure of Carbamoyl Phosphate Synthetase Complexed at CYS269 in the Small Subunit with the Tetrahedral Mimic L-Glutamate Gamma-Semialdehyde within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Mn5053
b:31.0
occ:1.00
|
OE2
|
E:GLU841
|
1.9
|
41.1
|
1.0
|
OE1
|
E:GLN829
|
2.1
|
27.4
|
1.0
|
O2A
|
E:ADP5052
|
2.1
|
37.3
|
1.0
|
O3B
|
E:ADP5052
|
2.1
|
33.3
|
1.0
|
O
|
E:HOH5147
|
2.2
|
27.9
|
1.0
|
CD
|
E:GLN829
|
3.0
|
34.9
|
1.0
|
CD
|
E:GLU841
|
3.0
|
31.6
|
1.0
|
PA
|
E:ADP5052
|
3.3
|
33.0
|
1.0
|
NE2
|
E:GLN829
|
3.4
|
46.0
|
1.0
|
PB
|
E:ADP5052
|
3.5
|
28.7
|
1.0
|
O3A
|
E:ADP5052
|
3.6
|
35.1
|
1.0
|
CG
|
E:GLU841
|
3.7
|
17.7
|
1.0
|
OE1
|
E:GLU841
|
3.9
|
31.4
|
1.0
|
O
|
E:HOH5699
|
4.2
|
44.1
|
1.0
|
O
|
E:HOH5148
|
4.2
|
44.8
|
1.0
|
O1A
|
E:ADP5052
|
4.3
|
35.0
|
1.0
|
O3'
|
E:ADP5052
|
4.3
|
29.3
|
1.0
|
O2B
|
E:ADP5052
|
4.3
|
57.4
|
1.0
|
K
|
E:K5054
|
4.4
|
48.1
|
1.0
|
O5'
|
E:ADP5052
|
4.4
|
34.7
|
1.0
|
CG
|
E:GLN829
|
4.4
|
33.1
|
1.0
|
C5'
|
E:ADP5052
|
4.4
|
20.3
|
1.0
|
ND2
|
E:ASN843
|
4.4
|
27.4
|
1.0
|
OG
|
E:SER789
|
4.4
|
25.1
|
1.0
|
O1B
|
E:ADP5052
|
4.5
|
45.0
|
1.0
|
CE1
|
E:HIS788
|
4.8
|
19.5
|
1.0
|
NE2
|
E:HIS788
|
4.8
|
23.8
|
1.0
|
C3'
|
E:ADP5052
|
4.9
|
18.7
|
1.0
|
CB
|
E:GLN829
|
4.9
|
32.3
|
1.0
|
|
Manganese binding site 10 out
of 12 in 1cs0
Go back to
Manganese Binding Sites List in 1cs0
Manganese binding site 10 out
of 12 in the Crystal Structure of Carbamoyl Phosphate Synthetase Complexed at CYS269 in the Small Subunit with the Tetrahedral Mimic L-Glutamate Gamma-Semialdehyde
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 10 of Crystal Structure of Carbamoyl Phosphate Synthetase Complexed at CYS269 in the Small Subunit with the Tetrahedral Mimic L-Glutamate Gamma-Semialdehyde within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Mn5072
b:20.8
occ:1.00
|
O1
|
G:PO45076
|
1.9
|
13.1
|
1.0
|
O
|
G:HOH5162
|
2.1
|
20.5
|
1.0
|
OD1
|
G:ASN301
|
2.1
|
21.1
|
1.0
|
O3B
|
G:ADP5071
|
2.2
|
22.0
|
1.0
|
OE1
|
G:GLU299
|
2.2
|
18.0
|
1.0
|
OE2
|
G:GLU299
|
2.3
|
23.0
|
1.0
|
CD
|
G:GLU299
|
2.6
|
17.6
|
1.0
|
CG
|
G:ASN301
|
3.2
|
18.7
|
1.0
|
PB
|
G:ADP5071
|
3.2
|
21.0
|
1.0
|
P
|
G:PO45076
|
3.3
|
23.1
|
1.0
|
O1B
|
G:ADP5071
|
3.3
|
18.9
|
1.0
|
ND2
|
G:ASN301
|
3.7
|
17.2
|
1.0
|
O3
|
G:PO45076
|
3.7
|
16.5
|
1.0
|
MN
|
G:MN5073
|
3.7
|
20.8
|
1.0
|
CB
|
G:MET174
|
3.8
|
19.1
|
1.0
|
K
|
G:K5075
|
3.8
|
26.1
|
1.0
|
O
|
G:HOH5241
|
4.1
|
20.9
|
1.0
|
CG
|
G:GLU299
|
4.1
|
10.0
|
1.0
|
NH2
|
G:ARG303
|
4.1
|
11.9
|
1.0
|
O3A
|
G:ADP5071
|
4.1
|
14.6
|
1.0
|
CA
|
G:MET174
|
4.1
|
16.3
|
1.0
|
O4
|
G:PO45076
|
4.2
|
16.8
|
1.0
|
NH2
|
G:ARG129
|
4.2
|
22.3
|
1.0
|
O2
|
G:PO45076
|
4.2
|
22.6
|
1.0
|
O2B
|
G:ADP5071
|
4.3
|
19.5
|
1.0
|
O
|
G:THR173
|
4.4
|
20.5
|
1.0
|
O1A
|
G:ADP5071
|
4.5
|
19.4
|
1.0
|
CB
|
G:ASN301
|
4.5
|
18.3
|
1.0
|
O
|
G:HOH5704
|
4.8
|
32.8
|
1.0
|
PA
|
G:ADP5071
|
4.8
|
18.1
|
1.0
|
N
|
G:GLY175
|
4.9
|
15.9
|
1.0
|
OE1
|
G:GLU127
|
4.9
|
33.6
|
1.0
|
NH1
|
G:ARG129
|
5.0
|
23.0
|
1.0
|
OE1
|
G:GLN285
|
5.0
|
17.0
|
1.0
|
|
Reference:
J.B.Thoden,
X.Huang,
F.M.Raushel,
H.M.Holden.
The Small Subunit of Carbamoyl Phosphate Synthetase: Snapshots Along the Reaction Pathway. Biochemistry V. 38 16158 1999.
ISSN: ISSN 0006-2960
PubMed: 10587438
DOI: 10.1021/BI991741J
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