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Ligand clusters for UniProt code P00558
Ligand clusters for P00558: Phosphoglycerate kinase 1 OS=Homo sapiens GN=PGK1 PE=1 SV=3
5 ligand clusters
Cluster 1.
20 ligand types
65 ligands
Cluster 2.
1 ligand type
1 ligand
Cluster 3.
2 ligand types
2 ligands
Cluster 4.
1 ligand type
1 ligand
Cluster 5.
1 ligand type
1 ligand
Representative protein: 4o33A
Structures
PDB
Schematic diagram
4o33
A
2y3i
A
2x15
A
2wzd
A
3zoz
A
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Cluster 1 contains 20 ligand types
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Ligand
Description
_Mg
1. Metal:
_MG × 16
PDB codes:
2wzb
(A),
2wzc
(A),
2wzd
(A),
2x13
(A),
2x14
(A),
2x15
(A),
2y3i
(A),
2ybe
(A),
3c3c
(A),
3zoz
(A),
4axx
(A),
5m1r
(A),
5m3u
(A),
5m6z
(A),
5mxm
(A).
2. Ligand:
TZN × 1
terazosin
[4-(4-Amino-6,7-Dimethoxyquinazolin-2-Yl)piperazin-1- Yl][(2r)-Tetrahydrofuran-2-Yl]methanone
PDB code:
4o33
(A).
3. Ligand:
3PG × 15
3-Phosphoglyceric acid
PDB codes:
2x13
(A),
2x14
(A),
2x15
(A),
2xe6
(A),
2xe7
(A),
2xe8
(A),
2y3i
(A),
3c39
(A),
3c3a
(A),
3c3c
(A),
4o33
(A),
5m3u
(A),
5m6z
(A),
5mxm
(A),
5np8
(A).
4. Ligand:
ADP × 10
Adenosine-5'-Diphosphate
PDB codes:
2x13
(A),
2x15
(A),
2xe7
(A),
2zgv
(A),
4axx
(A),
5m1r
(A),
5m3u
(A),
5m6z
(A),
5mxm
(A),
5o7d
(A).
_Cl
5. Metal:
_CL × 6
PDB codes:
2wzb
(A),
2wzc
(A),
2wzd
(A),
2y3i
(A),
2ybe
(A),
4axx
(A).
6. Ligand:
ACP × 2
Phosphomethylphosphonic acid adenylate ester
PDB codes:
2x14
(A),
2xe8
(A).
7. Ligand:
PO4 × 2
Phosphate ion
PDB codes:
3c3b
(A),
5m6z
(A).
8. Ligand:
3PG-BEF × 1
3PG
=3-Phosphoglyceric acid,
BEF
=Beryllium trifluoride ion.
PDB code:
4axx
(A).
9. Ligand:
93T × 1
3-[2-(4-Bromophenyl)-5,7-Dimethyl-Pyrazolo[1,5- A]pyrimidin-6-Yl]propanoic acid
PDB code:
5np8
(A).
10. Ligand:
ADP-3PG-MGF × 1
MGF
=Trifluoromagnesate,
ADP
=Adenosine-5'-Diphosphate,
3PG
=3-Phosphoglyceric acid.
PDB code:
2wzb
(A).
11. Ligand:
AF3-ADP-3PG × 1
AF3
=Aluminum fluoride,
ADP
=Adenosine-5'-Diphosphate,
3PG
=3-Phosphoglyceric acid.
PDB code:
2wzd
(A).
12. Ligand:
ALF × 1
Tetrafluoroaluminate ion
PDB code:
2y3i
(A).
13. Ligand:
ALF-ADP-3PG × 1
ADP
=Adenosine-5'-Diphosphate,
3PG
=3-Phosphoglyceric acid,
ALF
=Tetrafluoroaluminate ion.
PDB code:
2wzc
(A).
14. Ligand:
ATP × 1
Adenosine-5'-Triphosphate
PDB code:
2x15
(A).
15. Ligand:
CDP × 1
Cytidine-5'-Diphosphate
PDB code:
3c3c
(A).
16. Ligand:
LA8 × 1
L-Adenosine-5'-Diphosphate
PDB code:
2y3i
(A).
17. Ligand:
LA8-ALF-3PG × 1
LA8
=L-Adenosine-5'-Diphosphate,
ALF
=Tetrafluoroaluminate ion,
3PG
=3-Phosphoglyceric acid.
PDB code:
2ybe
(A).
18. Ligand:
MGF-3PG-ADP × 1
ADP
=Adenosine-5'-Diphosphate,
MGF
=Trifluoromagnesate,
3PG
=3-Phosphoglyceric acid.
PDB code:
3zoz
(A).
19. Ligand:
X15 × 1
1,3-Bisphosphoglyceric acid
PDB code:
2x15
(A).
_Br
20. Metal:
_BR × 1
PDB code:
3zoz
(A).
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Cluster 2 contains 1 ligand type
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Ligand
Description
1. Ligand:
BTB × 1
2-[Bis-(2-Hydroxy-Ethyl)-Amino]-2-Hydroxymethyl- Propane-1,3-Diol
PDB code:
5mxm
(A).
Cluster 3 contains 2 ligand types
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Ligand
Description
_Mg
1. Metal:
_MG × 1
PDB code:
5m3u
(A).
2. Ligand:
EDO × 1
1,2-Ethanediol
PDB code:
5np8
(A).
Cluster 4 contains 1 ligand type
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Ligand
Description
1. Ligand:
EDO × 1
1,2-Ethanediol
PDB code:
5np8
(A).
Cluster 5 contains 1 ligand type
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Ligand
Description
1. Ligand:
EDO × 1
1,2-Ethanediol
PDB code:
5np8
(A).