Manganese in PDB 4gmw: Structure of Rat Cytosolic Pepck LD_1G in Complex with Pep and Gdp
Enzymatic activity of Structure of Rat Cytosolic Pepck LD_1G in Complex with Pep and Gdp
All present enzymatic activity of Structure of Rat Cytosolic Pepck LD_1G in Complex with Pep and Gdp:
4.1.1.32;
Protein crystallography data
The structure of Structure of Rat Cytosolic Pepck LD_1G in Complex with Pep and Gdp, PDB code: 4gmw
was solved by
T.A.Johnson,
T.Holyoak,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
31.03 /
1.75
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
61.091,
84.940,
119.322,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
20.8 /
25.9
|
Other elements in 4gmw:
The structure of Structure of Rat Cytosolic Pepck LD_1G in Complex with Pep and Gdp also contains other interesting chemical elements:
Manganese Binding Sites:
The binding sites of Manganese atom in the Structure of Rat Cytosolic Pepck LD_1G in Complex with Pep and Gdp
(pdb code 4gmw). This binding sites where shown within
5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the
Structure of Rat Cytosolic Pepck LD_1G in Complex with Pep and Gdp, PDB code: 4gmw:
Jump to Manganese binding site number:
1;
2;
3;
4;
Manganese binding site 1 out
of 4 in 4gmw
Go back to
Manganese Binding Sites List in 4gmw
Manganese binding site 1 out
of 4 in the Structure of Rat Cytosolic Pepck LD_1G in Complex with Pep and Gdp
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 1 of Structure of Rat Cytosolic Pepck LD_1G in Complex with Pep and Gdp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn702
b:17.5
occ:1.00
|
OD1
|
A:ASP311
|
2.1
|
15.0
|
1.0
|
O
|
A:HOH804
|
2.2
|
12.4
|
1.0
|
NE2
|
A:HIS264
|
2.2
|
19.3
|
1.0
|
O
|
A:HOH805
|
2.3
|
25.6
|
1.0
|
O
|
A:HOH807
|
2.3
|
19.7
|
1.0
|
NZ
|
A:LYS244
|
2.3
|
16.8
|
1.0
|
CG
|
A:ASP311
|
3.0
|
17.4
|
1.0
|
CE1
|
A:HIS264
|
3.1
|
16.7
|
1.0
|
CD2
|
A:HIS264
|
3.2
|
16.2
|
1.0
|
OD2
|
A:ASP311
|
3.3
|
18.3
|
1.0
|
CE
|
A:LYS244
|
3.3
|
17.6
|
1.0
|
NZ
|
A:LYS290
|
4.0
|
25.9
|
0.5
|
O
|
A:HOH1131
|
4.1
|
27.4
|
0.5
|
O1P
|
A:PEP704
|
4.1
|
19.4
|
1.0
|
O
|
A:HOH806
|
4.2
|
28.4
|
1.0
|
O3P
|
A:PEP704
|
4.2
|
18.5
|
1.0
|
ND1
|
A:HIS264
|
4.2
|
18.5
|
1.0
|
CG
|
A:HIS264
|
4.3
|
17.6
|
1.0
|
O
|
A:HOH899
|
4.3
|
25.5
|
1.0
|
NZ
|
A:LYS290
|
4.4
|
22.2
|
0.5
|
CB
|
A:ASP311
|
4.4
|
17.2
|
1.0
|
CE
|
A:LYS290
|
4.5
|
24.6
|
0.5
|
O
|
A:HOH1033
|
4.6
|
29.0
|
1.0
|
CE
|
A:LYS290
|
4.6
|
24.9
|
0.5
|
CD
|
A:LYS244
|
4.6
|
16.6
|
1.0
|
P
|
A:PEP704
|
4.8
|
21.1
|
1.0
|
O
|
A:HOH1183
|
4.8
|
27.0
|
0.5
|
CE2
|
A:PHE485
|
4.8
|
16.8
|
1.0
|
CZ
|
A:PHE485
|
4.8
|
16.7
|
1.0
|
|
Manganese binding site 2 out
of 4 in 4gmw
Go back to
Manganese Binding Sites List in 4gmw
Manganese binding site 2 out
of 4 in the Structure of Rat Cytosolic Pepck LD_1G in Complex with Pep and Gdp
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 2 of Structure of Rat Cytosolic Pepck LD_1G in Complex with Pep and Gdp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn705
b:42.9
occ:0.50
|
O
|
A:HOH1167
|
1.9
|
47.1
|
1.0
|
O
|
A:HOH1186
|
2.1
|
65.7
|
1.0
|
NE2
|
A:HIS502
|
2.4
|
40.6
|
1.0
|
OE2
|
A:GLU607
|
2.6
|
28.8
|
0.5
|
O
|
A:HOH900
|
2.6
|
32.4
|
1.0
|
CD
|
A:GLU607
|
2.9
|
29.1
|
0.5
|
OE1
|
A:GLU607
|
3.0
|
30.0
|
0.5
|
CE1
|
A:HIS502
|
3.3
|
41.3
|
1.0
|
CD2
|
A:HIS502
|
3.5
|
41.1
|
1.0
|
OE2
|
A:GLU607
|
3.5
|
25.3
|
0.5
|
CG
|
A:GLU607
|
4.0
|
23.7
|
0.5
|
CG
|
A:GLU607
|
4.1
|
26.9
|
0.5
|
O
|
A:HOH1094
|
4.2
|
46.3
|
1.0
|
CD
|
A:GLU607
|
4.2
|
23.2
|
0.5
|
ND1
|
A:HIS502
|
4.5
|
38.8
|
1.0
|
CG
|
A:HIS502
|
4.6
|
39.5
|
1.0
|
NE2
|
A:GLN451
|
4.7
|
30.8
|
1.0
|
O
|
A:LEU498
|
4.8
|
25.7
|
1.0
|
CG
|
A:GLN451
|
5.0
|
25.6
|
1.0
|
|
Manganese binding site 3 out
of 4 in 4gmw
Go back to
Manganese Binding Sites List in 4gmw
Manganese binding site 3 out
of 4 in the Structure of Rat Cytosolic Pepck LD_1G in Complex with Pep and Gdp
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 3 of Structure of Rat Cytosolic Pepck LD_1G in Complex with Pep and Gdp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn706
b:29.9
occ:0.25
|
O
|
A:HOH1131
|
1.7
|
27.4
|
0.5
|
MN
|
A:MN707
|
2.2
|
50.0
|
0.2
|
O
|
A:HOH1132
|
2.2
|
30.2
|
1.0
|
O1B
|
A:GDP701
|
2.5
|
26.6
|
0.5
|
O
|
A:HOH1133
|
3.1
|
30.1
|
1.0
|
OG1
|
A:THR291
|
3.3
|
21.6
|
0.5
|
O
|
A:ASP310
|
3.5
|
17.4
|
1.0
|
O
|
A:HOH1037
|
3.5
|
34.7
|
1.0
|
O
|
A:HOH805
|
3.5
|
25.6
|
1.0
|
OD2
|
A:ASP310
|
3.7
|
37.7
|
1.0
|
PB
|
A:GDP701
|
3.7
|
28.0
|
0.5
|
CE
|
A:LYS290
|
3.7
|
24.9
|
0.5
|
CE
|
A:LYS290
|
3.9
|
24.6
|
0.5
|
NZ
|
A:LYS290
|
4.1
|
25.9
|
0.5
|
O
|
A:HOH899
|
4.1
|
25.5
|
1.0
|
CG
|
A:ASP310
|
4.1
|
28.9
|
1.0
|
O2B
|
A:GDP701
|
4.1
|
28.3
|
0.5
|
CB
|
A:LYS290
|
4.2
|
21.1
|
0.5
|
CG
|
A:LYS290
|
4.2
|
25.8
|
0.5
|
OD1
|
A:ASP311
|
4.2
|
15.0
|
1.0
|
N
|
A:THR291
|
4.2
|
22.4
|
0.5
|
O3B
|
A:GDP701
|
4.3
|
26.9
|
0.5
|
O
|
A:HOH1183
|
4.3
|
27.0
|
0.5
|
OD1
|
A:ASP310
|
4.5
|
28.1
|
1.0
|
O
|
A:HOH806
|
4.6
|
28.4
|
1.0
|
CB
|
A:THR291
|
4.6
|
23.5
|
0.5
|
C
|
A:ASP310
|
4.6
|
18.4
|
1.0
|
CD
|
A:LYS290
|
4.6
|
26.5
|
0.5
|
O1B
|
A:GDP701
|
4.7
|
27.1
|
0.5
|
CB
|
A:LYS290
|
4.7
|
25.6
|
0.5
|
CB
|
A:ASP311
|
4.8
|
17.2
|
1.0
|
CA
|
A:THR291
|
4.8
|
23.8
|
0.5
|
N
|
A:THR291
|
4.8
|
28.8
|
0.5
|
CG
|
A:ASP311
|
4.9
|
17.4
|
1.0
|
OG1
|
A:THR291
|
4.9
|
38.6
|
0.5
|
NZ
|
A:LYS290
|
4.9
|
22.2
|
0.5
|
CB
|
A:ASP310
|
4.9
|
24.7
|
1.0
|
O3A
|
A:GDP701
|
5.0
|
29.8
|
0.5
|
CA
|
A:THR291
|
5.0
|
31.5
|
0.5
|
C
|
A:LYS290
|
5.0
|
22.4
|
0.5
|
|
Manganese binding site 4 out
of 4 in 4gmw
Go back to
Manganese Binding Sites List in 4gmw
Manganese binding site 4 out
of 4 in the Structure of Rat Cytosolic Pepck LD_1G in Complex with Pep and Gdp
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 4 of Structure of Rat Cytosolic Pepck LD_1G in Complex with Pep and Gdp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn707
b:50.0
occ:0.25
|
O
|
A:HOH1133
|
2.0
|
30.1
|
1.0
|
O
|
A:HOH1132
|
2.0
|
30.2
|
1.0
|
MN
|
A:MN706
|
2.2
|
29.9
|
0.2
|
O
|
A:HOH1037
|
2.4
|
34.7
|
1.0
|
OG1
|
A:THR291
|
2.7
|
21.6
|
0.5
|
O1B
|
A:GDP701
|
3.2
|
26.6
|
0.5
|
O
|
A:HOH880
|
3.3
|
27.5
|
1.0
|
OD2
|
A:ASP310
|
3.5
|
37.7
|
1.0
|
CA
|
A:GLY334
|
3.6
|
21.4
|
1.0
|
O
|
A:HOH1131
|
3.8
|
27.4
|
0.5
|
CB
|
A:THR291
|
4.0
|
23.5
|
0.5
|
O
|
A:HOH899
|
4.1
|
25.5
|
1.0
|
N
|
A:VAL335
|
4.2
|
22.1
|
1.0
|
CG
|
A:ASP310
|
4.4
|
28.9
|
1.0
|
PB
|
A:GDP701
|
4.5
|
28.0
|
0.5
|
C
|
A:GLY334
|
4.5
|
24.4
|
1.0
|
OG1
|
A:THR291
|
4.5
|
38.6
|
0.5
|
O
|
A:PHE333
|
4.6
|
21.6
|
1.0
|
N
|
A:GLY334
|
4.6
|
21.7
|
1.0
|
CG2
|
A:THR291
|
4.7
|
35.1
|
0.5
|
O1A
|
A:GDP701
|
4.7
|
28.3
|
0.5
|
O3B
|
A:GDP701
|
4.8
|
26.9
|
0.5
|
CG2
|
A:THR291
|
4.8
|
24.3
|
0.5
|
O
|
A:HOH806
|
4.8
|
28.4
|
1.0
|
OD1
|
A:ASP310
|
4.9
|
28.1
|
1.0
|
N
|
A:THR291
|
4.9
|
22.4
|
0.5
|
C
|
A:PHE333
|
4.9
|
20.7
|
1.0
|
CA
|
A:THR291
|
5.0
|
23.8
|
0.5
|
|
Reference:
T.A.Johnson,
T.Holyoak.
The {Omega}-Loop Lid Domain of Phosphoenolpyruvate Carboxykinase Is Essential For Catalytic Function. Biochemistry V. 51 9547 2012.
ISSN: ISSN 0006-2960
PubMed: 23127136
DOI: 10.1021/BI301278T
Page generated: Sat Oct 5 19:34:13 2024
|