Ligand clusters for UniProt code P52700

Ligand clusters for P52700: Metallo-beta-lactamase L1 type 3 from Stenotrophomonas maltophilia

		Top 6 (of 12) ligand clusters Cluster 1. 16 ligand types 49 ligands Cluster 2. 4 ligand types 19 ligands Cluster 3. 3 ligand types 5 ligands Cluster 4. 1 ligand type 1 ligand Cluster 5. 2 ligand types 2 ligands Cluster 6. 2 ligand types 3 ligands
Representative protein: 5evdA

Structures

PDB		Schematic diagram
5evdA
5hh6A
5evkA
5evbA
2gfkA
		more ...

Cluster 1 contains 16 ligand types

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Ligand		Description
_Zn		1. Metal: _ZN × 33 PDB codes: 1sml(A), 2aio(A), 2fm6(A), 2fu8(A), 2fu9(A), 2gfk(A), 2h6a(A), 2hb9(A), 2qdt(A), 2qin(A), 2qjs(A), 5dpx(A), 5evb(A), 5evd(A), 5evk(A), 5hh5(A), 5hh6(A), 7a63(A),
		2. Ligand: I38 × 1 N-(3-Mercaptopropanoyl)-D-Alanine PDB code: 2qdt(A).
		3. Ligand: MCO × 1 1-(3-Mercapto-2-Methyl-Propionyl)-Pyrrolidine-2- Carboxylic acid PDB code: 2fu8(A).
		4. Ligand: MP2 × 1 N-[(Benzyloxy)carbonyl]-L-Cysteinylglycine PDB code: 2fu9(A).
		5. Ligand: MX1 × 1 (2r)-2-((R)-Carboxy{[carboxy(4-Hydroxyphenyl) acetyl]amino}methoxymethyl)-5-Methylene-5,6-Dihydro- 2h-1,3-Oxazine-4-Carboxylic acid PDB code: 2aio(A).
		6. Ligand: SO4 × 1 Sulfate ion PDB code: 2h6a(A).
		7. Ligand: L13 × 1 4-Amino-5-(2-Methylphenyl)-2,4-Dihydro-3h-1,2,4- Triazole-3-Thione PDB code: 2hb9(A).
		8. Ligand: VII × 1 2,5-Diphenylfuran-3,4-Dicarboxylic acid PDB code: 2gfk(A).
_Cu		9. Metal: _CU × 2 PDB codes: 2fu7(A),
		10. Ligand: 3C7 × 1 (3r,5r,7as)-5-(Sulfanylmethyl)tetrahydro[1, 3]thiazolo[4,3-B][1,3]thiazole-3-Carboxylic acid PDB code: 5evk(A).
		11. Ligand: 3R9 × 1 (3s,5s,7ar)-5-(Sulfanylmethyl)tetrahydro[1, 3]thiazolo[4,3-B][1,3]thiazole-3-Carboxylic acid PDB code: 5evb(A).
		12. Ligand: 60M × 1 6-(Phosphonomethyl)pyridine-2-Carboxylic acid PDB code: 5hh5(A).
		13. Ligand: 60N × 1 6-[(~{S})-Oxidanyl(phosphono)methyl]pyridine-2- Carboxylic acid PDB code: 5hh6(A).
		14. Ligand: L3B × 1 5-(2-Methylphenyl)-3h-1,2,4-Triazole-3-Thione PDB code: 5dpx(A).
		15. Ligand: R3N × 1 (2r,5s)-2-[(1s,2r)-1-Carboxy-2-Hydroxy-Propyl]-5-[(2r)- Tetrahydrofuran-2-Yl]-2,5-Dihydrothiazole- 4-Carboxylic acid PDB code: 7a63(A).
		16. Ligand: VC2 × 1 (3s,5s,7ar)-2,2-Dimethyl-5-(Sulfanylmethyl) tetrahydro[1,3]thiazolo[4,3-B][1,3]thiazole-3- Carboxylic acid PDB code: 5evd(A).

Cluster 2 contains 4 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 2fu6(A).
		2. Ligand: SO4 × 10 Sulfate ion PDB codes: 2aio(A), 2fm6(A), 2fu6(A), 2fu7(A), 2fu8(A), 2fu9(A), 2gfk(A), 2h6a(A), 2hb9(A), 2qdt(A).
		3. Ligand: PEG × 1 Di(hydroxyethyl)ether PDB code: 2gfk(A).
		4. Ligand: SO4 × 7 Sulfate ion PDB codes: 5dpx(A), 5evb(A), 5evd(A), 5evk(A), 5hh5(A), 5hh6(A), 7a63(A).

Cluster 3 contains 3 ligand types

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Ligand		Description
_Zn		1. Metal: _ZN × 3 PDB codes: 2fm6(A), 2qdt(A), 7a63(A).
		2. Ligand: PHN × 1 1,10-Phenanthroline PDB code: 2fu7(A).
_Cu		3. Metal: _CU × 1 PDB code: 2fu7(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: L13 × 1 4-Amino-5-(2-Methylphenyl)-2,4-Dihydro-3h-1,2,4- Triazole-3-Thione PDB code: 2hb9(A).

Cluster 5 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 2fu6(A).
		2. Ligand: PEG × 1 Di(hydroxyethyl)ether PDB code: 2gfk(A).

Cluster 6 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 2 glycerin Glycerol PDB codes: 2fu9(A), 5hh5(A).
		2. Ligand: PEG × 1 Di(hydroxyethyl)ether PDB code: 2gfk(A).