Manganese in PDB 4zvz: Co-Crystal Structures of PP5 in Complex with 5-Methyl-7- Oxabicyclo[2.2.1]Heptane-2,3-Dicarboxylic Acid
Enzymatic activity of Co-Crystal Structures of PP5 in Complex with 5-Methyl-7- Oxabicyclo[2.2.1]Heptane-2,3-Dicarboxylic Acid
All present enzymatic activity of Co-Crystal Structures of PP5 in Complex with 5-Methyl-7- Oxabicyclo[2.2.1]Heptane-2,3-Dicarboxylic Acid:
3.1.3.16;
Protein crystallography data
The structure of Co-Crystal Structures of PP5 in Complex with 5-Methyl-7- Oxabicyclo[2.2.1]Heptane-2,3-Dicarboxylic Acid, PDB code: 4zvz
was solved by
D.Chattopadhyay,
M.R.Swingle,
E.A.Salter,
A.Wierzbicki,
R.E.Honkanen,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
91.03 /
2.00
|
Space group
|
P 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
40.858,
80.520,
91.165,
88.15,
87.33,
86.71
|
R / Rfree (%)
|
20.4 /
23.5
|
Other elements in 4zvz:
The structure of Co-Crystal Structures of PP5 in Complex with 5-Methyl-7- Oxabicyclo[2.2.1]Heptane-2,3-Dicarboxylic Acid also contains other interesting chemical elements:
Manganese Binding Sites:
The binding sites of Manganese atom in the Co-Crystal Structures of PP5 in Complex with 5-Methyl-7- Oxabicyclo[2.2.1]Heptane-2,3-Dicarboxylic Acid
(pdb code 4zvz). This binding sites where shown within
5.0 Angstroms radius around Manganese atom.
In total 8 binding sites of Manganese where determined in the
Co-Crystal Structures of PP5 in Complex with 5-Methyl-7- Oxabicyclo[2.2.1]Heptane-2,3-Dicarboxylic Acid, PDB code: 4zvz:
Jump to Manganese binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Manganese binding site 1 out
of 8 in 4zvz
Go back to
Manganese Binding Sites List in 4zvz
Manganese binding site 1 out
of 8 in the Co-Crystal Structures of PP5 in Complex with 5-Methyl-7- Oxabicyclo[2.2.1]Heptane-2,3-Dicarboxylic Acid
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 1 of Co-Crystal Structures of PP5 in Complex with 5-Methyl-7- Oxabicyclo[2.2.1]Heptane-2,3-Dicarboxylic Acid within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn501
b:22.0
occ:1.00
|
OD2
|
A:ASP242
|
2.1
|
22.1
|
1.0
|
OD2
|
A:ASP271
|
2.1
|
18.4
|
1.0
|
NE2
|
A:HIS244
|
2.2
|
21.6
|
1.0
|
O08
|
A:4TF503
|
2.3
|
26.3
|
1.0
|
O17
|
A:4TF503
|
2.3
|
29.1
|
1.0
|
O10
|
A:4TF503
|
2.5
|
29.0
|
1.0
|
C07
|
A:4TF503
|
2.9
|
27.9
|
1.0
|
CD2
|
A:HIS244
|
3.1
|
20.3
|
1.0
|
CG
|
A:ASP271
|
3.2
|
17.0
|
1.0
|
CE1
|
A:HIS244
|
3.2
|
22.1
|
1.0
|
CG
|
A:ASP242
|
3.2
|
20.7
|
1.0
|
C16
|
A:4TF503
|
3.2
|
30.1
|
1.0
|
C02
|
A:4TF503
|
3.3
|
29.5
|
1.0
|
C05
|
A:4TF503
|
3.3
|
29.4
|
1.0
|
C06
|
A:4TF503
|
3.4
|
29.0
|
1.0
|
MN
|
A:MN502
|
3.4
|
19.4
|
1.0
|
C01
|
A:4TF503
|
3.4
|
29.7
|
1.0
|
CB
|
A:ASP271
|
3.6
|
15.9
|
1.0
|
O09
|
A:4TF503
|
3.8
|
28.0
|
1.0
|
CB
|
A:ASP242
|
3.9
|
18.8
|
1.0
|
OD1
|
A:ASP242
|
4.2
|
21.0
|
1.0
|
OD1
|
A:ASP271
|
4.3
|
17.0
|
1.0
|
CG
|
A:HIS244
|
4.3
|
19.8
|
1.0
|
ND1
|
A:HIS244
|
4.3
|
20.9
|
1.0
|
CD2
|
A:HIS304
|
4.3
|
23.4
|
1.0
|
O18
|
A:4TF503
|
4.4
|
31.2
|
1.0
|
NE2
|
A:HIS352
|
4.5
|
21.1
|
1.0
|
CE1
|
A:HIS352
|
4.5
|
20.1
|
1.0
|
CE1
|
A:PHE446
|
4.5
|
22.1
|
1.0
|
C03
|
A:4TF503
|
4.6
|
29.7
|
1.0
|
C04
|
A:4TF503
|
4.6
|
30.9
|
1.0
|
CA
|
A:HIS427
|
4.8
|
22.8
|
1.0
|
NE2
|
A:HIS304
|
4.8
|
25.9
|
1.0
|
OD1
|
A:ASN303
|
4.8
|
20.1
|
1.0
|
O
|
A:HIS427
|
4.9
|
27.0
|
1.0
|
C
|
A:HIS427
|
5.0
|
25.1
|
1.0
|
|
Manganese binding site 2 out
of 8 in 4zvz
Go back to
Manganese Binding Sites List in 4zvz
Manganese binding site 2 out
of 8 in the Co-Crystal Structures of PP5 in Complex with 5-Methyl-7- Oxabicyclo[2.2.1]Heptane-2,3-Dicarboxylic Acid
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 2 of Co-Crystal Structures of PP5 in Complex with 5-Methyl-7- Oxabicyclo[2.2.1]Heptane-2,3-Dicarboxylic Acid within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn502
b:19.4
occ:1.00
|
OD1
|
A:ASN303
|
2.0
|
20.1
|
1.0
|
O08
|
A:4TF503
|
2.1
|
26.3
|
1.0
|
NE2
|
A:HIS352
|
2.2
|
21.1
|
1.0
|
ND1
|
A:HIS427
|
2.2
|
23.5
|
1.0
|
OD2
|
A:ASP271
|
2.4
|
18.4
|
1.0
|
O09
|
A:4TF503
|
2.8
|
28.0
|
1.0
|
C07
|
A:4TF503
|
2.8
|
27.9
|
1.0
|
CE1
|
A:HIS427
|
3.0
|
24.9
|
1.0
|
CG
|
A:ASN303
|
3.1
|
21.5
|
1.0
|
CD2
|
A:HIS352
|
3.1
|
20.5
|
1.0
|
CE1
|
A:HIS352
|
3.2
|
20.1
|
1.0
|
CG
|
A:ASP271
|
3.2
|
17.0
|
1.0
|
CG
|
A:HIS427
|
3.3
|
23.2
|
1.0
|
MN
|
A:MN501
|
3.4
|
22.0
|
1.0
|
OD1
|
A:ASP271
|
3.5
|
17.0
|
1.0
|
CA
|
A:HIS427
|
3.5
|
22.8
|
1.0
|
ND2
|
A:ASN303
|
3.6
|
23.4
|
1.0
|
CB
|
A:HIS427
|
3.7
|
22.2
|
1.0
|
OD2
|
A:ASP242
|
4.0
|
22.1
|
1.0
|
O17
|
A:4TF503
|
4.0
|
29.1
|
1.0
|
O
|
A:HIS427
|
4.1
|
27.0
|
1.0
|
NE2
|
A:HIS427
|
4.2
|
25.1
|
1.0
|
C
|
A:HIS427
|
4.3
|
25.1
|
1.0
|
C06
|
A:4TF503
|
4.3
|
29.0
|
1.0
|
CG
|
A:HIS352
|
4.3
|
19.1
|
1.0
|
ND1
|
A:HIS352
|
4.3
|
19.0
|
1.0
|
CB
|
A:ASN303
|
4.4
|
21.2
|
1.0
|
CD2
|
A:HIS427
|
4.4
|
24.2
|
1.0
|
CB
|
A:ASP271
|
4.5
|
15.9
|
1.0
|
CD2
|
A:HIS304
|
4.5
|
23.4
|
1.0
|
N
|
A:ASN303
|
4.5
|
18.0
|
1.0
|
N
|
A:HIS427
|
4.6
|
21.3
|
1.0
|
O
|
A:LEU385
|
4.7
|
24.8
|
1.0
|
C16
|
A:4TF503
|
4.8
|
30.1
|
1.0
|
CG
|
A:ASP242
|
4.8
|
20.7
|
1.0
|
C05
|
A:4TF503
|
4.8
|
29.4
|
1.0
|
O10
|
A:4TF503
|
5.0
|
29.0
|
1.0
|
CA
|
A:ASN303
|
5.0
|
19.8
|
1.0
|
OD1
|
A:ASP242
|
5.0
|
21.0
|
1.0
|
|
Manganese binding site 3 out
of 8 in 4zvz
Go back to
Manganese Binding Sites List in 4zvz
Manganese binding site 3 out
of 8 in the Co-Crystal Structures of PP5 in Complex with 5-Methyl-7- Oxabicyclo[2.2.1]Heptane-2,3-Dicarboxylic Acid
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 3 of Co-Crystal Structures of PP5 in Complex with 5-Methyl-7- Oxabicyclo[2.2.1]Heptane-2,3-Dicarboxylic Acid within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mn501
b:24.2
occ:1.00
|
OD2
|
B:ASP271
|
2.0
|
24.4
|
1.0
|
OD2
|
B:ASP242
|
2.1
|
25.3
|
1.0
|
NE2
|
B:HIS244
|
2.2
|
25.0
|
1.0
|
O17
|
B:4TF503
|
2.3
|
29.2
|
1.0
|
O08
|
B:4TF503
|
2.4
|
27.6
|
1.0
|
O10
|
B:4TF503
|
2.5
|
32.0
|
1.0
|
CG
|
B:ASP271
|
3.1
|
22.9
|
1.0
|
C07
|
B:4TF503
|
3.1
|
29.8
|
1.0
|
CD2
|
B:HIS244
|
3.2
|
23.3
|
1.0
|
CE1
|
B:HIS244
|
3.2
|
25.1
|
1.0
|
CG
|
B:ASP242
|
3.2
|
23.6
|
1.0
|
C16
|
B:4TF503
|
3.3
|
30.4
|
1.0
|
C02
|
B:4TF503
|
3.3
|
31.2
|
1.0
|
C05
|
B:4TF503
|
3.4
|
31.3
|
1.0
|
MN
|
B:MN502
|
3.4
|
23.8
|
1.0
|
C06
|
B:4TF503
|
3.5
|
30.3
|
1.0
|
CB
|
B:ASP271
|
3.5
|
21.6
|
1.0
|
C01
|
B:4TF503
|
3.5
|
30.8
|
1.0
|
CB
|
B:ASP242
|
3.9
|
21.9
|
1.0
|
O09
|
B:4TF503
|
4.1
|
29.6
|
1.0
|
OD1
|
B:ASP271
|
4.2
|
22.7
|
1.0
|
OD1
|
B:ASP242
|
4.2
|
23.7
|
1.0
|
CD2
|
B:HIS304
|
4.3
|
24.2
|
1.0
|
ND1
|
B:HIS244
|
4.3
|
23.3
|
1.0
|
CG
|
B:HIS244
|
4.3
|
22.3
|
1.0
|
CE1
|
B:HIS352
|
4.4
|
22.9
|
1.0
|
NE2
|
B:HIS352
|
4.4
|
23.1
|
1.0
|
O18
|
B:4TF503
|
4.4
|
30.6
|
1.0
|
CE1
|
B:PHE446
|
4.5
|
27.6
|
1.0
|
C03
|
B:4TF503
|
4.6
|
31.9
|
1.0
|
C04
|
B:4TF503
|
4.7
|
32.3
|
1.0
|
CA
|
B:HIS427
|
4.7
|
25.2
|
1.0
|
OD1
|
B:ASN303
|
4.7
|
23.9
|
1.0
|
NE2
|
B:HIS304
|
4.8
|
25.5
|
1.0
|
O
|
B:HIS427
|
4.9
|
27.9
|
1.0
|
C
|
B:HIS427
|
4.9
|
26.4
|
1.0
|
CA
|
B:ASP271
|
5.0
|
20.4
|
1.0
|
|
Manganese binding site 4 out
of 8 in 4zvz
Go back to
Manganese Binding Sites List in 4zvz
Manganese binding site 4 out
of 8 in the Co-Crystal Structures of PP5 in Complex with 5-Methyl-7- Oxabicyclo[2.2.1]Heptane-2,3-Dicarboxylic Acid
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 4 of Co-Crystal Structures of PP5 in Complex with 5-Methyl-7- Oxabicyclo[2.2.1]Heptane-2,3-Dicarboxylic Acid within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mn502
b:23.8
occ:1.00
|
OD1
|
B:ASN303
|
2.0
|
23.9
|
1.0
|
NE2
|
B:HIS352
|
2.1
|
23.1
|
1.0
|
O08
|
B:4TF503
|
2.1
|
27.6
|
1.0
|
ND1
|
B:HIS427
|
2.2
|
27.4
|
1.0
|
OD2
|
B:ASP271
|
2.4
|
24.4
|
1.0
|
C07
|
B:4TF503
|
2.9
|
29.8
|
1.0
|
CE1
|
B:HIS427
|
3.0
|
29.2
|
1.0
|
CG
|
B:ASN303
|
3.0
|
25.1
|
1.0
|
O09
|
B:4TF503
|
3.0
|
29.6
|
1.0
|
CD2
|
B:HIS352
|
3.1
|
23.0
|
1.0
|
CE1
|
B:HIS352
|
3.1
|
22.9
|
1.0
|
CG
|
B:ASP271
|
3.2
|
22.9
|
1.0
|
CG
|
B:HIS427
|
3.3
|
26.8
|
1.0
|
MN
|
B:MN501
|
3.4
|
24.2
|
1.0
|
OD1
|
B:ASP271
|
3.4
|
22.7
|
1.0
|
ND2
|
B:ASN303
|
3.6
|
26.1
|
1.0
|
CA
|
B:HIS427
|
3.6
|
25.2
|
1.0
|
CB
|
B:HIS427
|
3.8
|
25.4
|
1.0
|
O17
|
B:4TF503
|
3.9
|
29.2
|
1.0
|
OD2
|
B:ASP242
|
4.1
|
25.3
|
1.0
|
ND1
|
B:HIS352
|
4.2
|
22.6
|
1.0
|
O
|
B:HIS427
|
4.2
|
27.9
|
1.0
|
NE2
|
B:HIS427
|
4.2
|
29.4
|
1.0
|
CG
|
B:HIS352
|
4.2
|
22.7
|
1.0
|
CB
|
B:ASN303
|
4.3
|
25.4
|
1.0
|
C06
|
B:4TF503
|
4.4
|
30.3
|
1.0
|
CD2
|
B:HIS427
|
4.4
|
27.9
|
1.0
|
C
|
B:HIS427
|
4.4
|
26.4
|
1.0
|
N
|
B:ASN303
|
4.4
|
23.0
|
1.0
|
CB
|
B:ASP271
|
4.5
|
21.6
|
1.0
|
CD2
|
B:HIS304
|
4.5
|
24.2
|
1.0
|
O
|
B:LEU385
|
4.6
|
27.0
|
1.0
|
N
|
B:HIS427
|
4.6
|
23.7
|
1.0
|
C16
|
B:4TF503
|
4.7
|
30.4
|
1.0
|
CA
|
B:ASN303
|
4.9
|
24.3
|
1.0
|
C05
|
B:4TF503
|
4.9
|
31.3
|
1.0
|
CG
|
B:ASP242
|
4.9
|
23.6
|
1.0
|
O10
|
B:4TF503
|
5.0
|
32.0
|
1.0
|
|
Manganese binding site 5 out
of 8 in 4zvz
Go back to
Manganese Binding Sites List in 4zvz
Manganese binding site 5 out
of 8 in the Co-Crystal Structures of PP5 in Complex with 5-Methyl-7- Oxabicyclo[2.2.1]Heptane-2,3-Dicarboxylic Acid
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 5 of Co-Crystal Structures of PP5 in Complex with 5-Methyl-7- Oxabicyclo[2.2.1]Heptane-2,3-Dicarboxylic Acid within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mn501
b:23.8
occ:1.00
|
OD2
|
C:ASP242
|
2.1
|
26.5
|
1.0
|
OD2
|
C:ASP271
|
2.1
|
24.5
|
1.0
|
NE2
|
C:HIS244
|
2.2
|
26.6
|
1.0
|
O18
|
C:4TF503
|
2.2
|
27.3
|
1.0
|
O09
|
C:4TF503
|
2.4
|
27.2
|
1.0
|
O10
|
C:4TF503
|
2.4
|
28.8
|
1.0
|
C07
|
C:4TF503
|
3.0
|
28.4
|
1.0
|
CD2
|
C:HIS244
|
3.1
|
25.6
|
1.0
|
CE1
|
C:HIS244
|
3.2
|
26.6
|
1.0
|
CG
|
C:ASP271
|
3.2
|
23.0
|
1.0
|
C16
|
C:4TF503
|
3.2
|
28.4
|
1.0
|
CG
|
C:ASP242
|
3.2
|
25.5
|
1.0
|
C05
|
C:4TF503
|
3.3
|
29.1
|
1.0
|
C02
|
C:4TF503
|
3.3
|
29.0
|
1.0
|
MN
|
C:MN502
|
3.4
|
21.9
|
1.0
|
C06
|
C:4TF503
|
3.5
|
28.6
|
1.0
|
C01
|
C:4TF503
|
3.5
|
28.6
|
1.0
|
CB
|
C:ASP271
|
3.5
|
21.8
|
1.0
|
CB
|
C:ASP242
|
3.9
|
24.3
|
1.0
|
O08
|
C:4TF503
|
3.9
|
28.1
|
1.0
|
OD1
|
C:ASP242
|
4.2
|
25.4
|
1.0
|
ND1
|
C:HIS244
|
4.3
|
25.5
|
1.0
|
OD1
|
C:ASP271
|
4.3
|
22.7
|
1.0
|
CD2
|
C:HIS304
|
4.3
|
25.0
|
1.0
|
CG
|
C:HIS244
|
4.3
|
25.0
|
1.0
|
O17
|
C:4TF503
|
4.3
|
28.4
|
1.0
|
CE1
|
C:HIS352
|
4.5
|
19.5
|
1.0
|
CE1
|
C:PHE446
|
4.5
|
27.1
|
1.0
|
NE2
|
C:HIS352
|
4.6
|
19.7
|
1.0
|
C04
|
C:4TF503
|
4.6
|
30.5
|
1.0
|
C03
|
C:4TF503
|
4.6
|
29.6
|
1.0
|
CA
|
C:HIS427
|
4.8
|
27.4
|
1.0
|
NE2
|
C:HIS304
|
4.8
|
26.8
|
1.0
|
OD1
|
C:ASN303
|
4.9
|
22.8
|
1.0
|
O
|
C:HIS427
|
4.9
|
30.2
|
1.0
|
C
|
C:HIS427
|
5.0
|
28.7
|
1.0
|
|
Manganese binding site 6 out
of 8 in 4zvz
Go back to
Manganese Binding Sites List in 4zvz
Manganese binding site 6 out
of 8 in the Co-Crystal Structures of PP5 in Complex with 5-Methyl-7- Oxabicyclo[2.2.1]Heptane-2,3-Dicarboxylic Acid
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 6 of Co-Crystal Structures of PP5 in Complex with 5-Methyl-7- Oxabicyclo[2.2.1]Heptane-2,3-Dicarboxylic Acid within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mn502
b:21.9
occ:1.00
|
OD1
|
C:ASN303
|
2.1
|
22.8
|
1.0
|
NE2
|
C:HIS352
|
2.1
|
19.7
|
1.0
|
ND1
|
C:HIS427
|
2.1
|
29.2
|
1.0
|
O09
|
C:4TF503
|
2.2
|
27.2
|
1.0
|
OD2
|
C:ASP271
|
2.3
|
24.5
|
1.0
|
CE1
|
C:HIS427
|
2.9
|
30.6
|
1.0
|
C07
|
C:4TF503
|
3.0
|
28.4
|
1.0
|
O08
|
C:4TF503
|
3.0
|
28.1
|
1.0
|
CE1
|
C:HIS352
|
3.0
|
19.5
|
1.0
|
CD2
|
C:HIS352
|
3.1
|
19.8
|
1.0
|
CG
|
C:ASN303
|
3.1
|
23.7
|
1.0
|
CG
|
C:ASP271
|
3.1
|
23.0
|
1.0
|
CG
|
C:HIS427
|
3.3
|
28.6
|
1.0
|
OD1
|
C:ASP271
|
3.4
|
22.7
|
1.0
|
MN
|
C:MN501
|
3.4
|
23.8
|
1.0
|
CA
|
C:HIS427
|
3.6
|
27.4
|
1.0
|
ND2
|
C:ASN303
|
3.7
|
25.0
|
1.0
|
CB
|
C:HIS427
|
3.8
|
27.4
|
1.0
|
O18
|
C:4TF503
|
3.9
|
27.3
|
1.0
|
OD2
|
C:ASP242
|
4.0
|
26.5
|
1.0
|
NE2
|
C:HIS427
|
4.1
|
30.8
|
1.0
|
ND1
|
C:HIS352
|
4.2
|
19.3
|
1.0
|
O
|
C:HIS427
|
4.3
|
30.2
|
1.0
|
CG
|
C:HIS352
|
4.3
|
19.6
|
1.0
|
CD2
|
C:HIS427
|
4.3
|
29.7
|
1.0
|
CB
|
C:ASN303
|
4.4
|
23.3
|
1.0
|
C
|
C:HIS427
|
4.4
|
28.7
|
1.0
|
C06
|
C:4TF503
|
4.4
|
28.6
|
1.0
|
N
|
C:ASN303
|
4.4
|
21.0
|
1.0
|
CB
|
C:ASP271
|
4.4
|
21.8
|
1.0
|
CD2
|
C:HIS304
|
4.5
|
25.0
|
1.0
|
N
|
C:HIS427
|
4.6
|
25.9
|
1.0
|
O
|
C:LEU385
|
4.6
|
29.8
|
1.0
|
C16
|
C:4TF503
|
4.7
|
28.4
|
1.0
|
CG
|
C:ASP242
|
4.9
|
25.5
|
1.0
|
C05
|
C:4TF503
|
4.9
|
29.1
|
1.0
|
CA
|
C:ASN303
|
4.9
|
21.9
|
1.0
|
|
Manganese binding site 7 out
of 8 in 4zvz
Go back to
Manganese Binding Sites List in 4zvz
Manganese binding site 7 out
of 8 in the Co-Crystal Structures of PP5 in Complex with 5-Methyl-7- Oxabicyclo[2.2.1]Heptane-2,3-Dicarboxylic Acid
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 7 of Co-Crystal Structures of PP5 in Complex with 5-Methyl-7- Oxabicyclo[2.2.1]Heptane-2,3-Dicarboxylic Acid within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mn501
b:27.7
occ:1.00
|
NE2
|
D:HIS244
|
2.1
|
28.8
|
1.0
|
OD2
|
D:ASP271
|
2.1
|
25.7
|
1.0
|
OD2
|
D:ASP242
|
2.1
|
26.5
|
1.0
|
O18
|
D:4TF503
|
2.2
|
31.4
|
1.0
|
O09
|
D:4TF503
|
2.3
|
27.8
|
1.0
|
O10
|
D:4TF503
|
2.5
|
30.9
|
1.0
|
C07
|
D:4TF503
|
2.9
|
28.8
|
1.0
|
CD2
|
D:HIS244
|
3.1
|
26.9
|
1.0
|
CE1
|
D:HIS244
|
3.1
|
29.0
|
1.0
|
C16
|
D:4TF503
|
3.2
|
30.9
|
1.0
|
CG
|
D:ASP271
|
3.2
|
23.8
|
1.0
|
C05
|
D:4TF503
|
3.2
|
30.3
|
1.0
|
CG
|
D:ASP242
|
3.3
|
24.5
|
1.0
|
C06
|
D:4TF503
|
3.3
|
30.1
|
1.0
|
C02
|
D:4TF503
|
3.4
|
30.6
|
1.0
|
MN
|
D:MN502
|
3.4
|
28.6
|
1.0
|
C01
|
D:4TF503
|
3.5
|
31.0
|
1.0
|
CB
|
D:ASP271
|
3.6
|
22.1
|
1.0
|
O08
|
D:4TF503
|
3.9
|
28.3
|
1.0
|
CB
|
D:ASP242
|
3.9
|
22.9
|
1.0
|
OD1
|
D:ASP242
|
4.2
|
24.4
|
1.0
|
CD2
|
D:HIS304
|
4.2
|
29.7
|
1.0
|
ND1
|
D:HIS244
|
4.2
|
27.3
|
1.0
|
CG
|
D:HIS244
|
4.3
|
25.9
|
1.0
|
O17
|
D:4TF503
|
4.3
|
32.7
|
1.0
|
OD1
|
D:ASP271
|
4.3
|
23.9
|
1.0
|
CE1
|
D:PHE446
|
4.6
|
24.5
|
1.0
|
C04
|
D:4TF503
|
4.6
|
31.2
|
1.0
|
CE1
|
D:HIS352
|
4.6
|
25.5
|
1.0
|
NE2
|
D:HIS352
|
4.6
|
26.4
|
1.0
|
C03
|
D:4TF503
|
4.7
|
31.1
|
1.0
|
NE2
|
D:HIS304
|
4.7
|
32.2
|
1.0
|
OD1
|
D:ASN303
|
4.8
|
27.1
|
1.0
|
CA
|
D:HIS427
|
4.9
|
32.2
|
1.0
|
O
|
D:HIS427
|
5.0
|
37.0
|
1.0
|
|
Manganese binding site 8 out
of 8 in 4zvz
Go back to
Manganese Binding Sites List in 4zvz
Manganese binding site 8 out
of 8 in the Co-Crystal Structures of PP5 in Complex with 5-Methyl-7- Oxabicyclo[2.2.1]Heptane-2,3-Dicarboxylic Acid
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 8 of Co-Crystal Structures of PP5 in Complex with 5-Methyl-7- Oxabicyclo[2.2.1]Heptane-2,3-Dicarboxylic Acid within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mn502
b:28.6
occ:1.00
|
OD1
|
D:ASN303
|
2.0
|
27.1
|
1.0
|
O09
|
D:4TF503
|
2.0
|
27.8
|
1.0
|
NE2
|
D:HIS352
|
2.2
|
26.4
|
1.0
|
ND1
|
D:HIS427
|
2.3
|
34.6
|
1.0
|
OD2
|
D:ASP271
|
2.4
|
25.7
|
1.0
|
C07
|
D:4TF503
|
2.8
|
28.8
|
1.0
|
O08
|
D:4TF503
|
2.9
|
28.3
|
1.0
|
CG
|
D:ASN303
|
3.0
|
29.3
|
1.0
|
CE1
|
D:HIS427
|
3.1
|
37.1
|
1.0
|
CE1
|
D:HIS352
|
3.1
|
25.5
|
1.0
|
CD2
|
D:HIS352
|
3.2
|
26.4
|
1.0
|
CG
|
D:ASP271
|
3.2
|
23.8
|
1.0
|
CG
|
D:HIS427
|
3.4
|
33.8
|
1.0
|
OD1
|
D:ASP271
|
3.4
|
23.9
|
1.0
|
MN
|
D:MN501
|
3.4
|
27.7
|
1.0
|
ND2
|
D:ASN303
|
3.5
|
31.2
|
1.0
|
CA
|
D:HIS427
|
3.6
|
32.2
|
1.0
|
CB
|
D:HIS427
|
3.9
|
31.9
|
1.0
|
OD2
|
D:ASP242
|
3.9
|
26.5
|
1.0
|
O
|
D:HIS427
|
4.2
|
37.0
|
1.0
|
O18
|
D:4TF503
|
4.2
|
31.4
|
1.0
|
C06
|
D:4TF503
|
4.3
|
30.1
|
1.0
|
ND1
|
D:HIS352
|
4.3
|
24.8
|
1.0
|
NE2
|
D:HIS427
|
4.3
|
37.2
|
1.0
|
CB
|
D:ASN303
|
4.3
|
29.4
|
1.0
|
CG
|
D:HIS352
|
4.3
|
25.3
|
1.0
|
C
|
D:HIS427
|
4.3
|
34.7
|
1.0
|
CB
|
D:ASP271
|
4.4
|
22.1
|
1.0
|
N
|
D:ASN303
|
4.5
|
25.5
|
1.0
|
CD2
|
D:HIS427
|
4.5
|
35.3
|
1.0
|
CD2
|
D:HIS304
|
4.5
|
29.7
|
1.0
|
N
|
D:HIS427
|
4.6
|
29.7
|
1.0
|
O
|
D:LEU385
|
4.7
|
29.2
|
1.0
|
CG
|
D:ASP242
|
4.8
|
24.5
|
1.0
|
C05
|
D:4TF503
|
4.8
|
30.3
|
1.0
|
C16
|
D:4TF503
|
4.8
|
30.9
|
1.0
|
CA
|
D:ASN303
|
4.9
|
27.6
|
1.0
|
OD1
|
D:ASP242
|
4.9
|
24.4
|
1.0
|
|
Reference:
D.Chattopadhyay,
M.R.Swingle,
E.A.Salter,
E.Wood,
B.D'arcy,
C.Zivanov,
K.Abney,
A.Musiyenko,
S.F.Rusin,
A.Kettenbach,
L.Yet,
C.E.Schroeder,
J.E.Golden,
W.H.Dunham,
A.C.Gingras,
S.Banerjee,
D.Forbes,
A.Wierzbicki,
R.E.Honkanen.
Crystal Structures and Mutagenesis of Ppp-Family Ser/Thr Protein Phosphatases Elucidate the Selectivity of Cantharidin and Novel Norcantharidin-Based Inhibitors of PP5C. Biochem. Pharmacol. V. 109 14 2016.
ISSN: ISSN 1873-2968
PubMed: 27002182
DOI: 10.1016/J.BCP.2016.03.011
Page generated: Sat Oct 5 23:15:41 2024
|