Ligand clusters for UniProt code Q96EB6

Ligand clusters for Q96EB6: NAD-dependent protein deacetylase sirtuin-1 from Homo sapiens

		6 ligand clusters Cluster 1. 9 ligand types 17 ligands Cluster 2. 2 ligand types 3 ligands Cluster 3. 1 ligand type 2 ligands Cluster 4. 1 ligand type 1 ligand Cluster 5. 1 ligand type 1 ligand Cluster 6. 1 ligand type 9 ligands
Representative protein: 5btrA

Structures

PDB		Schematic diagram
5btrA
4zzhA
4ig9A
4kxqA
4if6A
		more ...

Cluster 1 contains 9 ligand types

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Ligand		Description
		1. Ligand: GOL × 2 glycerin Glycerol PDB codes: 4kxq(A), 4zzj(A).
		2. Ligand: STL × 6 Resveratrol PDB codes: 5btr(A),
		3. Ligand: ACE-ARG-HIS-LYS-FDL × 2 ACE=Acetyl group, FDL=N~6~-Acetyl-N-(4-Methyl-2-Oxo-2h-Chromen-7-Yl)-L- Lysinamide. PDB codes: 5btr(A),
		4. Ligand: APR × 2 Adenosine-5-Diphosphoribose PDB codes: 4if6(A), 4kxq(A).
		5. Ligand: 1NS × 1 4-(4-{2-[(Methylsulfonyl)amino]ethyl}piperidin-1-Yl) thieno[3,2-D]pyrimidine-6-Carboxamide PDB code: 4zzi(A).
		6. Ligand: 4I5 × 1 (6s)-2-Chloro-5,6,7,8,9,10- Hexahydrocyclohepta[b]indole-6-Carboxamide PDB code: 4i5i(A).
		7. Ligand: ARG-HIS-LYS-ALY-LEU-NLE-PHE × 1 ALY=N(6)-Acetyllysine, NLE=Norleucine. PDB code: 4zzj(A).
		8. Ligand: CNA × 1 Carba-Nicotinamide-Adenine-Dinucleotide PDB code: 4zzj(A).
		9. Ligand: NAD × 1 Nicotinamide-Adenine-Dinucleotide PDB code: 4i5i(A).

Cluster 2 contains 2 ligand types

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Ligand		Description
		1. Ligand: 4TQ × 2 (3s)-1,3-Dimethyl-N-[3-(1,3-Oxazol-5-Yl)phenyl]-6-[3- (Trifluoromethyl)phenyl]-2,3- Dihydropyrido[2,3- B]pyrazine-4(1h)-Carboxamide PDB codes: 4zzi(A), 4zzj(A).
		2. Ligand: 4TO × 1 (4s)-N-[3-(1,3-Oxazol-5-Yl)phenyl]-7-[3- (Trifluoromethyl)phenyl]-3,4-Dihydro-1,4- Methanopyrido[2,3-B][1,4]diazepine-5(2h)-Carboxamide PDB code: 4zzh(A).

Cluster 3 contains 1 ligand type

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Ligand		Description
		1. Ligand: ACE-ARG-HIS-LYS-FDL × 2 ACE=Acetyl group, FDL=N~6~-Acetyl-N-(4-Methyl-2-Oxo-2h-Chromen-7-Yl)-L- Lysinamide. PDB codes: 5btr(A),

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 4zzj(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: BME × 1 Beta-Mercaptoethanol PDB code: 4kxq(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
_Zn		1. Metal: _ZN × 9 PDB codes: 4i5i(A), 4if6(A), 4ig9(A), 4kxq(A), 4zzh(A), 4zzi(A), 4zzj(A), 5btr(A),