Ligand clusters for UniProt code P52699

Ligand clusters for P52699: Metallo-beta-lactamase type 2 from Serratia marcescens

		Top 6 (of 13) ligand clusters Cluster 1. 18 ligand types 54 ligands Cluster 2. 2 ligand types 3 ligands Cluster 3. 1 ligand type 1 ligand Cluster 4. 2 ligand types 4 ligands Cluster 5. 1 ligand type 2 ligands Cluster 6. 1 ligand type 1 ligand
Representative protein: 6jkaA

Structures

PDB		Schematic diagram
6jkaA
1wupA
4c1fA
4c1gA
2dooA
		more ...

Cluster 1 contains 18 ligand types

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Ligand		Description
_Zn		1. Metal: _ZN × 33 PDB codes: 1dd6(A), 1vgn(A), 1wuo(A), 1wup(A), 2doo(A), 4c1f(A), 4c1g(A), 5ev6(A), 5ev8(A), 5ewa(A), 5hh4(A), 5y5b(A), 6jed(A), 6jka(A), 6lbl(A), 6zyr(A), 6zys(A),
		2. Ligand: ACY × 2 acetic acid Acetic acid PDB codes: 1wuo(A), 1wup(A).
		3. Ligand: X8Z × 1 captopril L-Captopril PDB code: 4c1f(A).
		4. Ligand: OPS × 1 3-Oxo-3-[(3-Oxopropyl)sulfanyl]propane-1-Thiolate PDB code: 1vgn(A).
		5. Ligand: MCI × 1 (2-Mercaptomethyl-4-Phenyl-Butyrylimino)-(5-Tetrazol-1- Ylmethyl-Thiophen-2-Yl)-Acetic acid PDB code: 1dd6(A).
		6. Ligand: BS0 × 2 6-[2-(Phenoxymethyl)-1,3-Thiazol-4-Yl]-3,4-Dihydro-1h- Quinolin-2-One PDB codes: 6jka(A),
		7. Ligand: C4H × 2 N-[4-({[5-(Dimethylamino)-1-Naphthyl]sulfonyl}amino) butyl]-3-Sulfanylpropanamide PDB codes: 2doo(A),
		8. Ligand: EPE × 2 4-(2-Hydroxyethyl)-1-Piperazine ethanesulfonic acid PDB codes: 5y5b(A), 6jed(A).
		9. Ligand: 3R9 × 1 (3s,5s,7ar)-5-(Sulfanylmethyl)tetrahydro[1, 3]thiazolo[4,3-B][1,3]thiazole-3-Carboxylic acid PDB code: 5ev8(A).
		10. Ligand: 60M × 1 6-(Phosphonomethyl)pyridine-2-Carboxylic acid PDB code: 5hh4(A).
		11. Ligand: 9BZ × 1 (3~{r},5~{r},7~{a}~{s})-2,2-Dimethyl-5- (Sulfanylmethyl)-3,5,7,7~{a}-Tetrahydro- [1, 3]thiazolo[4,3-B][1,3]thiazole-3-Carboxylic acid PDB code: 5ewa(A).
		12. Ligand: EDO × 1 1,2-Ethanediol PDB code: 5hh4(A).
		13. Ligand: MCO × 1 1-(3-Mercapto-2-Methyl-Propionyl)-Pyrrolidine-2- Carboxylic acid PDB code: 4c1g(A).
		14. Ligand: MCR × 1 Sulfanylacetic acid PDB code: 6jed(A).
		15. Ligand: NO9 × 1 2,5-Dimethyl-4-Sulfamoyl-Furan-3-Carboxylic acid PDB code: 6lbl(A).
		16. Ligand: QST × 1 (2~{s},4~{s})-2-Ethoxycarbonyl-5,5-Dimethyl-2- (Sulfanylmethyl)-1,3-Thiazolidine-4-Carboxylic acid PDB code: 6zys(A).
		17. Ligand: QT2 × 1 (2~{s},4~{r})-2-Ethoxycarbonyl-5,5-Dimethyl-2- (Sulfanylmethyl)-1,3-Thiazolidine-4-Carboxylic acid PDB code: 6zyr(A).
		18. Ligand: SO4 × 1 Sulfate ion PDB code: 5y5b(A).

Cluster 2 contains 2 ligand types

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Ligand		Description
		1. Ligand: 3R9 × 2 (3s,5s,7ar)-5-(Sulfanylmethyl)tetrahydro[1, 3]thiazolo[4,3-B][1,3]thiazole-3-Carboxylic acid PDB codes: 5ev8(A),
		2. Ligand: QT2 × 1 (2~{s},4~{r})-2-Ethoxycarbonyl-5,5-Dimethyl-2- (Sulfanylmethyl)-1,3-Thiazolidine-4-Carboxylic acid PDB code: 6zyr(A).

Cluster 3 contains 1 ligand type

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Ligand		Description
		1. Ligand: EPE × 1 4-(2-Hydroxyethyl)-1-Piperazine ethanesulfonic acid PDB code: 5y5b(A).

Cluster 4 contains 2 ligand types

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Ligand		Description
		1. Ligand: EDO × 2 1,2-Ethanediol PDB codes: 5ev6(A), 6zyr(A).
		2. Ligand: SO4 × 2 Sulfate ion PDB codes: 4c1f(A), 4c1g(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: SO4 × 2 Sulfate ion PDB codes: 1dd6(A), 4c1f(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: SO4 × 1 Sulfate ion PDB code: 4c1f(A).