Ligand clusters for UniProt code Q2G036

Ligand clusters for Q2G036: ATP-dependent Clp protease proteolytic subunit from Staphylococcus aureus (strain NCTC 8325)

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

Structures

PDB		Schematic diagram
6ttzA
6pmdA
6n80A
5c90A
6pkaA
		more ...

Cluster 1 contains 5 ligand types

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Ligand		Description
		1. Ligand: 9TS-PHE-SER-PRO-YCP-ALA-MP8 × 1 9TS=(2e)-Pent-2-Enoic acid, YCP=(2s)-Piperidine-2-Carboxylic acid, MP8=(4r)-4-Methyl-L-Proline. PDB code: 5vz2(A).
		2. Ligand: 9V7-PHE-SER-PRO-YCP-ALA-MP8 × 1 9V7=Phenylcarbamic acid, YCP=(2s)-Piperidine-2-Carboxylic acid, MP8=(4r)-4-Methyl-L-Proline. PDB code: 5w18(A).
		3. Ligand: NWT × 1 N-[(2s)-3-(3,5-Difluorophenyl)-1-[[(3s,9s,13s,15r,19s, 22s)-15,19-Dimethyl-2,8,12,18,21-Pentaoxo- 11-Oxa-1,7, 17,20-Tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan- 9-Yl]amino]-1-Oxopropan-2- Yl]heptanamide PDB code: 6ttz(A).
		4. Ligand: OO1-WFP-SER-PRO-YCP-ALA-MP8 × 1 OO1=(4-Methylphenyl)carbamic acid, WFP=3,5-Difluoro-L-Phenylalanine, YCP=(2s)-Piperidine-2-Carboxylic acid, MP8=(4r)-4-Methyl-L-Proline. PDB code: 6pka(A).
		5. Ligand: SHV-WFP-SER-PRO-YCP-ALA-MP8 × 1 SHV=Heptanoic acid, WFP=3,5-Difluoro-L-Phenylalanine, YCP=(2s)-Piperidine-2-Carboxylic acid, MP8=(4r)-4-Methyl-L-Proline. PDB code: 6pmd(A).

Cluster 2 contains 4 ligand types

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Ligand		Description
		1. Ligand: 9TS-PHE-SER-PRO-YCP-ALA-MP8 × 1 9TS=(2e)-Pent-2-Enoic acid, YCP=(2s)-Piperidine-2-Carboxylic acid, MP8=(4r)-4-Methyl-L-Proline. PDB code: 5vz2(A).
		2. Ligand: 9V7-PHE-SER-PRO-YCP-ALA-MP8 × 1 9V7=Phenylcarbamic acid, YCP=(2s)-Piperidine-2-Carboxylic acid, MP8=(4r)-4-Methyl-L-Proline. PDB code: 5w18(A).
		3. Ligand: NWT × 1 N-[(2s)-3-(3,5-Difluorophenyl)-1-[[(3s,9s,13s,15r,19s, 22s)-15,19-Dimethyl-2,8,12,18,21-Pentaoxo- 11-Oxa-1,7, 17,20-Tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan- 9-Yl]amino]-1-Oxopropan-2- Yl]heptanamide PDB code: 6ttz(A).
		4. Ligand: OO1-WFP-SER-PRO-YCP-ALA-MP8 × 1 OO1=(4-Methylphenyl)carbamic acid, WFP=3,5-Difluoro-L-Phenylalanine, YCP=(2s)-Piperidine-2-Carboxylic acid, MP8=(4r)-4-Methyl-L-Proline. PDB code: 6pka(A).

Cluster 3 contains 3 ligand types

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Ligand		Description
		1. Ligand: MPD × 2 (4s)-2-Methyl-2,4-Pentanediol PDB codes: 5c90(A), 6pmd(A).
		2. Ligand: 5C2 × 1 1-(Propan-2-Yl)-N-{[2-(Thiophen-2-Yl)-1,3-Oxazol-4- Yl]methyl}-1h-Pyrazolo[3,4-B]pyridine-5- Carboxamide PDB code: 5dl1(A).
		3. Ligand: JT7 × 1 N-[(1r)-1-Borono-3-Methylbutyl]-N~2~-(2-Chloro-4- Methoxybenzene-1-Carbonyl)-L-Leucinamide PDB code: 6n80(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: 5C2 × 1 1-(Propan-2-Yl)-N-{[2-(Thiophen-2-Yl)-1,3-Oxazol-4- Yl]methyl}-1h-Pyrazolo[3,4-B]pyridine-5- Carboxamide PDB code: 5dl1(A).