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Ligand clusters for UniProt code Q6DRA1
Ligand clusters for Q6DRA1: Beta-lactamase from Acinetobacter baumannii
1 ligand cluster
Cluster 1.
18 ligand types
19 ligands
Representative protein: 4u0xB
Structures
PDB
Schematic diagram
4u0x
B
4u0t
A
5wag
B
6tzg
A
6tzf
A
more ...
Cluster 1 contains 18 ligand types
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Ligand
Description
1. Ligand:
GLY × 2
glycine
PDB codes:
6tzh
(A),
6tzj
(A).
2. Ligand:
9TG × 1
3-[(2r)-2-Borono-2-{[(Thiophen-2-Yl) acetyl]amino}ethyl]benzoic acid
PDB code:
5w12
(A).
3. Ligand:
9TJ × 1
3-{1-[(2r)-2-Borono-2-{[(Thiophen-2-Yl) acetyl]amino}ethyl]-1h-1,2,3-Triazol-4-Yl}benzoic acid
PDB code:
5w14
(A).
4. Ligand:
A0V × 1
1-{[Hydroxy(phosphonooxy)boranyl]methyl}-1h-1,2,3- Triazole-4-Carboxylic acid
PDB code:
5wag
(B).
5. Ligand:
A0Y × 1
Phosphonooxy-[[[4-(1~{h}-1,2,3,4-Tetrazol-5-Yl)-2-
(Trifluoromethyl)phenyl]sulfonylamino]methyl]borinic acid
PDB code:
5waf
(A).
6. Ligand:
A1J × 1
3-(5,7,7-Trihydroxy-2,2,7-Trioxo-6-Oxa-2lambda~6~-Thia- 3-Aza-7lambda~5~-Phospha-5-Boraheptan-1-
Yl)benzoic acid
PDB code:
5wae
(A).
7. Ligand:
A1M × 1
Phosphonooxy-[[[4-(1~{h}-1,2,3,4-Tetrazol-5-Yl) phenyl]sulfonylamino]methyl]borinic acid
PDB code:
5wac
(A).
8. Ligand:
CAZ × 1
Acylated ceftazidime
PDB code:
6pwm
(A).
9. Ligand:
ERF × 1
Phosphonooxy-[(4-Thiophen-3-Yl-1,2,3-Triazol-1-Yl) methyl]borinic acid
PDB code:
6tzh
(A).
10. Ligand:
KAS × 1
3-(1-{[Hydroxy(phosphonooxy)boranyl]methyl}-1h-1,2,3- Triazol-4-Yl)benzoic acid
PDB code:
6tzf
(A).
11. Ligand:
LP0 × 1
(7z)-7-(2-Amino-1,3-Thiazol-4-Yl)-1,1,3-Trihydroxy-10, 10-Dimethyl-1,6-Dioxo-2,9-Dioxa-5,8-Diaza-
1lambda~5~- Phospha-3-Boraundec-7-En-11-Oic acid
PDB code:
6pwl
(A).
12. Ligand:
P1K × 1
Phosphonooxy-[[4-[[2,2,2-Tris(fluoranyl) ethylsulfonylamino]methyl]-1,2,3-Triazol-1-
Yl]methyl]borinic acid
PDB code:
6tzi
(A).
13. Ligand:
PKV × 1
[4-[[(4-Methylphenyl)sulfonylamino]methyl]-1,2,3- Triazol-1-Yl]methyl-Phosphonooxy-Borinic acid
PDB code:
6tzj
(A).
14. Ligand:
PKY × 1
[4-(3-Aminocarbonylphenyl)-1,2,3-Triazol-1-Yl]methyl- Phosphonooxy-Borinic acid
PDB code:
6tzg
(A).
15. Ligand:
PO4 × 1
Phosphate ion
PDB code:
4u0t
(A).
16. Ligand:
QQZ × 1
Phosphonooxy-[[[6-(1~{h}-1,2,3,4-Tetrazol-5-Yl)pyridin- 3-Yl]sulfonylamino]methyl]borinic acid
PDB code:
5wad
(A).
17. Ligand:
SM2 × 1
(1r)-1-(2-Thienylacetylamino)-1-(3-Carboxyphenyl) methylboronic acid
PDB code:
5w13
(A).
18. Ligand:
ZXM × 1
1-{(2r)-2-(Dihydroxyboranyl)-2-[(Thiophen-2-Ylacetyl) amino]ethyl}-1h-1,2,3-Triazole-4-
Carboxylic acid
PDB code:
4u0x
(B).
