Ligand clusters for UniProt code Q873X9

Ligand clusters for Q873X9: Endochitinase B1 from Neosartorya fumigata

		Top 6 (of 16) ligand clusters Cluster 1. 12 ligand types 18 ligands Cluster 2. 1 ligand type 1 ligand Cluster 3. 1 ligand type 12 ligands Cluster 4. 1 ligand type 11 ligands Cluster 5. 1 ligand type 12 ligands Cluster 6. 1 ligand type 1 ligand
Representative protein: 1w9pA

Structures

PDB		Schematic diagram
1w9pA
2iuzA
2a3aA
3cheA
3chfA
		more ...

Cluster 1 contains 12 ligand types

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Ligand		Description
		1. Ligand: TEP × 4 theophylline Theophylline PDB codes: 2a3a(A),
		2. Ligand: CFF × 3 caffeine Caffeine PDB codes: 2a3b(A),
		3. Ligand: PNX × 2 pentoxifylline 3,7-Dimethyl-1-(5-Oxohexyl)-3,7-Dihydro-1h-Purine-2,6- Dione PDB codes: 2a3c(A),
		4. Ligand: AMI × 1 Allosamizoline PDB code: 2a3e(A).
		5. Ligand: D1H × 1 1,1'-Ethane-1,2-Diylbis(3,7-Dimethyl-3,7- Dihydro-1h-Purine-2,6-Dione) PDB code: 2iuz(A).
		6. Ligand: 0AR-DPR-HSE-HIS-UN1 × 1 0AR=N-[N-[(4s)-4-Azanyl-5-Hydroxy-5-Oxo- Pentyl]carbamimidoyl]ethanamide, DPR=D-Proline, HSE=L-Homoserine, UN1=2-Aminohexanedioic acid. PDB code: 1w9u(A).
		7. Ligand: ACE-DAL-VR0-MEA-ASP × 1 ACE=Acetyl group, DAL=D-Alanine, VR0=N~5~-[N-(Methylcarbamoyl)carbamimidoyl]-L-Ornithine, MEA=N-Methylphenylalanine. PDB code: 3chf(A).
		8. Ligand: ACE-VR0-MEA-ASP × 1 ACE=Acetyl group, VR0=N~5~-[N-(Methylcarbamoyl)carbamimidoyl]-L-Ornithine, MEA=N-Methylphenylalanine. PDB code: 3che(A).
		9. Ligand: NAA-NAA × 1 NAA=2-Acetamido-2-Deoxy-Beta-D-Allopyranose. PDB code: 2a3e(A).
		10. Ligand: WRG × 1 (2s)-2-[[(2s)-2-Acetamido-5-[[N-(Methylcarbamoyl) carbamimidoyl]amino]pentanoyl]-Methyl-Amino]-3- Phenyl- Propanoic acid PDB code: 3chd(A).
		11. Ligand: XRG × 1 1-Methyl-3-(N-Methylcarbamimidoyl)urea PDB code: 3ch9(A).
		12. Ligand: ZRG × 1 (2s)-2-Acetamido-N-Methyl-5-[[N-(Methylcarbamoyl) carbamimidoyl]amino]pentanamide PDB code: 3chc(A).

Cluster 2 contains 1 ligand type

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Ligand		Description
		1. Ligand: NDG × 1 2-Acetamido-2-Deoxy-Alpha-D-Glucopyranose PDB code: 1wno(A).

Cluster 3 contains 1 ligand type

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Ligand		Description
		1. Ligand: SO4 × 12 Sulfate ion PDB codes: 1w9p(A), 1w9u(A), 2a3a(A), 2a3b(A), 2a3c(A), 2a3e(A), 2iuz(A), 3ch9(A), 3chc(A), 3chd(A), 3che(A), 3chf(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: SO4 × 11 Sulfate ion PDB codes: 1w9p(A), 1w9u(A), 2a3a(A), 2a3b(A), 2a3c(A), 2iuz(A), 3ch9(A), 3chc(A), 3chd(A), 3che(A), 3chf(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: SO4 × 12 Sulfate ion PDB codes: 1w9p(A), 1w9u(A), 2a3a(A), 2a3b(A), 2a3c(A), 2a3e(A), 2iuz(A), 3ch9(A), 3chc(A), 3chd(A), 3che(A), 3chf(A).

Cluster 6 contains 1 ligand type

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