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Ligand clusters for UniProt code P00374
Ligand clusters for P00374: Dihydrofolate reductase from Homo sapiens
Top 6 (of 25) ligand clusters
Cluster 1.
68 ligand types
203 ligands
Cluster 2.
2 ligand types
2 ligands
Cluster 3.
2 ligand types
15 ligands
Cluster 4.
4 ligand types
8 ligands
Cluster 5.
2 ligand types
3 ligands
Cluster 6.
2 ligand types
2 ligands
Representative protein: 1bozA
Structures
PDB
Schematic diagram
1boz
A
1hfq
A
1kmv
A
3nxy
A
1yho
A
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Cluster 1 contains 68 ligand types (of which only 20 are listed. Click
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Ligand
Description
1. Ligand:
NDP × 12
Nadph dihydro-Nicotinamide-Adenine-Dinucleotide phosphate
PDB codes:
1boz
(A),
1dlr
(A),
1dls
(A),
1kms
(A),
1kmv
(A),
1ohj
(A),
1ohk
(A),
1pd8
(A),
1u72
(A),
1yho
(A),
2c2s
(A),
2c2t
(A).
2. Ligand:
NAP × 1
Nadp nicotinamide-Adenine-Dinucleotide phosphate
PDB code:
1s3w
(A).
3. Ligand:
FOL × 7
folic acid
Folic acid
PDB codes:
1dhf
(A),
1drf
(A),
2w3b
(A),
2w3m
(A),
4m6k
(A),
6vcj
(A),
7ese
(A).
4. Ligand:
TOP × 5
trimethoprim
Trimethoprim
PDB codes:
2w3a
(A),
3n0h
(A),
3s3v
(A),
5. Ligand:
GOL × 2
glycerin
Glycerol
PDB codes:
3ghv
(A),
6de4
(A).
6. Ligand:
DMS × 1
dimethyl sulfoxide
Dimethyl sulfoxide
PDB code:
1kmv
(A).
_Mg
7. Metal:
_MG × 1
PDB code:
4kfj
(A).
8. Ligand:
DZF × 1
5-Deazafolic acid
PDB code:
2dhf
(A).
9. Ligand:
MTX × 2
Methotrexate
PDB codes:
1dls
(A),
1u72
(A).
10. Ligand:
MOT × 3
N-[4-[(2,4-Diaminofuro[2,3d]pyrimidin-5-Yl) methyl]methylamino]-Benzoyl]-L-Glutamate
PDB codes:
1hfp
(A),
1hfq
(A),
1hfr
(A).
11. Ligand:
COP × 2
N-(4-Carboxy-4-{4-[(2,4-Diamino-Pteridin-6-Ylmethyl)- Amino]-Benzoylamino}-Butyl)-Phthalamic acid
PDB codes:
1ohj
(A),
1ohk
(A).
12. Ligand:
LIH × 1
6-([5-Quinolylamino]methyl)-2,4-Diamino-5- Methylpyrido[2,3-D]pyrimidine
PDB code:
1kms
(A).
13. Ligand:
CO4 × 2
2,4-Diamino-5-Methyl-6-[(3,4,5-Trimethoxy-N- Methylanilino)methyl]pyrido[2,3-D]pyrimidine
PDB codes:
1pd8
(A),
1pd9
(A).
14. Ligand:
PRD × 1
N6-(2,5-Dimethoxy-Benzyl)-N6-Methyl-Pyrido[2,3- D]pyrimidine-2,4,6-Triamine
PDB code:
1boz
(A).
15. Ligand:
DTM × 2
2,4-Diamino-6-[N-(3',4',5'-Trimethoxybenzyl)-N- Methylamino]pyrido[2,3-D]pyrimidine
PDB codes:
1mvs
(A),
1mvt
(A).
16. Ligand:
TQD × 2
(2r,6s)-6-{[Methyl(3,4,5-Trimethoxyphenyl) amino]methyl}-1,2,5,6,7,8-Hexahydroquinazoline-2,4-
Diamine
PDB codes:
1s3u
(A),
1s3v
(A).
17. Ligand:
TQT × 1
6-(Octahydro-1h-Indol-1-Ylmethyl)decahydroquinazoline- 2,4-Diamine
PDB code:
1s3w
(A).
18. Ligand:
MXA × 2
6-(2,5-Dimethoxy-Benzyl)-5-Methyl-Pyrido[2,3- D]pyrimidine-2,4-Diamine
PDB codes:
1dlr
(A),
1u71
(A).
19. Ligand:
LII × 1
(Z)-6-(2-[2,5-Dimethoxyphenyl]ethen-1-Yl)-2,4-Diamino- 5-Methylpyrido[2,3-D]pyrimidine
PDB code:
1kmv
(A).
20. Ligand:
TRR × 1
2,4-Diamino-5-(3,4,5-Trimethoxy-Benzyl)-Pyrimidin-1- Ium
PDB code:
1yho
(A).
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Cluster 2 contains 2 ligand types
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Ligand
Description
1. Ligand:
DTT × 1
2,3-Dihydroxy-1,4-Dithiobutane
PDB code:
4m6l
(A).
2. Ligand:
SO4 × 1
Sulfate ion
PDB code:
4m6l
(A).
Cluster 3 contains 2 ligand types
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Ligand
Description
1. Ligand:
GOL × 1
glycerin
Glycerol
PDB code:
2w3a
(A).
2. Ligand:
SO4 × 14
Sulfate ion
PDB codes:
3eig
(A),
3f8y
(A),
3ghv
(A),
3gyf
(A),
3l3r
(A),
3n0h
(A),
3nxo
(A),
3nxr
(A),
3nxt
(A),
3nxv
(A),
3nxy
(A),
3oaf
(A),
3s3v
(A),
4qhv
(A).
Cluster 4 contains 4 ligand types
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Ligand
Description
_Mg
1. Metal:
_MG × 1
PDB code:
4kbn
(A).
2. Ligand:
SO4 × 5
Sulfate ion
PDB codes:
3f8z
(A),
3ghc
(A),
3ghv
(A),
3ntz
(A),
3nxr
(A).
3. Ligand:
EDO × 1
1,2-Ethanediol
PDB code:
6dav
(A).
_Cl
4. Metal:
_CL × 1
PDB code:
4kfj
(A).
Cluster 5 contains 2 ligand types
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Ligand
Description
1. Ligand:
GOL × 2
glycerin
Glycerol
PDB codes:
4m6k
(A),
6de4
(A).
_Ca
2. Metal:
_CA × 1
PDB code:
4kak
(A).
Cluster 6 contains 2 ligand types
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Ligand
Description
1. Ligand:
SO4 × 1
Sulfate ion
PDB code:
3eig
(A).
_Cd
2. Metal:
_CD × 1
PDB code:
3eig
(A).