Ligand clusters for UniProt code Q9WYW0

Ligand clusters for Q9WYW0: NAD-dependent protein deacetylase from Thermotoga maritima (strain ATCC 43589 / MSB8 / DSM 3109 / JCM 10099)

		5 ligand clusters Cluster 1. 17 ligand types 25 ligands Cluster 2. 1 ligand type 1 ligand Cluster 3. 1 ligand type 1 ligand Cluster 4. 1 ligand type 16 ligands Cluster 5. 1 ligand type 1 ligand
Representative protein: 2h59A

Structures

PDB		Schematic diagram
2h59A
2h2iA
2h4hA
2h2dA
3d81A
		more ...

Cluster 1 contains 17 ligand types

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Ligand		Description
		1. Ligand: NCA × 2 nicotinamide Nicotinamide PDB codes: 1yc5(A), 2h4j(A).
		2. Ligand: NAD × 3 Nicotinamide-Adenine-Dinucleotide PDB codes: 2h4f(A), 2h4h(A), 4buz(A).
		3. Ligand: OAD × 3 2'-O-Acetyl adenosine-5-Diphosphoribose PDB codes: 2h4j(A), 4buz(A), 4bv2(A).
		4. Ligand: HIS-LYS-LYS-LEU-MET-PHE × 2 PDB codes: 2h59(A),
		5. Ligand: OCZ × 2 (1s)-6-Chloro-2,3,4,9-Tetrahydro-1h- Carbazole-1-Carboxamide PDB codes: 4buz(A), 4bv2(A).
		6. Ligand: SER-ARG-HIS-LYS-ALY-LEU-MET-PHE × 2 ALY=N(6)-Acetyllysine. PDB codes: 2h4f(A), 2h4h(A).
		7. Ligand: ALA-LYS-ARG-ALY-THR-VAL-THR × 1 ALY=N(6)-Acetyllysine. PDB code: 2h2h(A).
		8. Ligand: APR × 1 Adenosine-5-Diphosphoribose PDB code: 2h59(A).
		9. Ligand: ARG-HIS-LYS-ALY-LEU-MET-PHE × 1 ALY=N(6)-Acetyllysine. PDB code: 4buz(A).
		10. Ligand: DZD × 1 5'-O-[(R)-{[(R)-{[(3r,4r)-1-(3-Carbamoylbenzyl)-4- Hydroxypyrrolidin-3- Yl]methoxy}(hydroxy) phosphoryl]methyl}(hydroxy)phosphoryl]adenosine PDB code: 3d4b(A).
		11. Ligand: HIS-ALA-ALY-ARG-VAL × 1 ALY=N(6)-Acetyllysine. PDB code: 2h2g(A).
		12. Ligand: HIS-LYS-ALY-LEU-ARG-PHE × 1 ALY=N(6)-Acetyllysine. PDB code: 3jr3(A).
		13. Ligand: HIS-LYS-LYS-LEU-MET × 1 PDB code: 4bv2(A).
		14. Ligand: SER-ARG-HIS-LYS-FZN-LEU-MET-PHE × 1 FZN=(2s)-2-Amino-6-{[(1z)-1-{[(2r,3r,4s,5r)-5-({[(R)-{[(R)- {[(2r,3s,4r,5r)-5-(6-Amino-9h-Purin-9-Yl)- 3,4- Dihydroxytetrahydrofuran-2- Yl]methoxy}(hydroxy) phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4- Dihydroxytetrahydrofuran- 2- Yl]sulfanyl}ethylidene]amino}hexanoic acid. PDB code: 3d81(A).
		15. Ligand: SER-ARG-HIS-LYS-LYS-LEU-MET × 1 PDB code: 2h2f(A).
		16. Ligand: THR-SER-ARG-HIS-LYS-ALY-LEU-MET-ALA × 1 ALY=N(6)-Acetyllysine. PDB code: 3d4b(A).
		17. Ligand: ZPG × 1 (2s,5r,8r,11s,14s,17s,21r)-5,8,11,14,17-Pentamethyl-4, 7,10,13,16,19-Hexaoxadocosane-2,21-Diol PDB code: 2h2i(A).

Cluster 2 contains 1 ligand type

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Ligand		Description
		1. Ligand: HIS-LYS-LYS-LEU-MET × 1 PDB code: 4bv2(A).

Cluster 3 contains 1 ligand type

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Ligand		Description
		1. Ligand: EDO × 1 1,2-Ethanediol PDB code: 4buz(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
_Zn		1. Metal: _ZN × 16 PDB codes: 1yc5(A), 2h2d(A), 2h2f(A), 2h2g(A), 2h2h(A), 2h2i(A), 2h4f(A), 2h4h(A), 2h4j(A), 2h59(A), 3d4b(A), 3d81(A), 3jr3(A), 3pdh(A), 4buz(A), 4bv2(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
_Zn		1. Metal: _ZN × 1 PDB code: 2h2g(A).