Ligand clusters for UniProt code P41365

Ligand clusters for P41365: Lipase B from Pseudozyma antarctica

		Top 6 (of 29) ligand clusters Cluster 1. 16 ligand types 27 ligands Cluster 2. 3 ligand types 11 ligands Cluster 3. 3 ligand types 3 ligands Cluster 4. 1 ligand type 1 ligand Cluster 5. 2 ligand types 5 ligands Cluster 6. 3 ligand types 4 ligands
Representative protein: 6isqA

Structures

PDB		Schematic diagram
6isqA
3icvA
6j1sA
6isrA
1lbsA
		more ...

Cluster 1 contains 16 ligand types

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Ligand		Description
		1. Ligand: IPA × 3 isopropyl alcohol Isopropyl alcohol PDB codes: 5a6v(A), 5a71(A), 6isq(A).
		2. Ligand: PE8 × 2 polyethylene glycol 400 3,6,9,12,15,18,21-Heptaoxatricosane-1,23-Diol PDB codes: 3w9b(A),
		3. Ligand: NAG × 1 n-acetylglucosamine 2-Acetamido-2-Deoxy-Beta-D-Glucopyranose PDB code: 3icv(A).
		4. Ligand: EDO × 5 1,2-Ethanediol PDB codes: 4k6g(A), 4k6h(A), 6j1q(A), 6j1r(B).
		5. Ligand: CPQ × 4 N,N-Bis(3-D-Gluconamidopropyl)deoxycholamide PDB codes: 6isp(D),
		6. Ligand: BOG × 2 Octyl beta-D-Glucopyranoside PDB codes: 1tcb(A), 1tcc(A).
		7. Ligand: ACT × 1 Acetate ion PDB code: 6isq(A).
		8. Ligand: B7U × 1 (2s)-2-Phenyl-N-[(1r)-1-Phenylethyl]propanamide PDB code: 6j1t(A).
		9. Ligand: BTB × 1 2-[Bis-(2-Hydroxy-Ethyl)-Amino]-2-Hydroxymethyl- Propane-1,3-Diol PDB code: 3icv(A).
		10. Ligand: DEP × 1 Diethyl phosphonate PDB code: 6tp8(A).
		11. Ligand: HEE × 1 N-Hexylphosphonate ethyl ester PDB code: 1lbs(A).
		12. Ligand: NTK × 1 2,3-Di(butanoyloxy)propyl butanoate PDB code: 6tp8(A).
		13. Ligand: PGE × 1 Triethylene glycol PDB code: 6isq(A).
		14. Ligand: T80 × 1 Methylpenta(oxyethyl) heptadecanoate PDB code: 1lbt(A).
_Ca		15. Metal: _CA × 1 PDB code: 6isp(D).
_Ni		16. Metal: _NI × 1 PDB code: 6isr(A).

Cluster 2 contains 3 ligand types

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Ligand		Description
		1. Ligand: NAG × 1 n-acetylglucosamine 2-Acetamido-2-Deoxy-Beta-D-Glucopyranose PDB code: 3icv(A).
		2. Ligand: NAG-NAG × 9 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose. PDB codes: 1lbs(A), 1lbt(A), 1tca(A), 1tcb(A), 1tcc(A), 4zv7(A), 5a6v(A), 5a71(A), 6tp8(A).
		3. Ligand: SO4 × 1 Sulfate ion PDB code: 6j1t(A).

Cluster 3 contains 3 ligand types

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Ligand		Description
		1. Ligand: EDO × 1 1,2-Ethanediol PDB code: 6j1p(A).
		2. Ligand: EPE × 1 4-(2-Hydroxyethyl)-1-Piperazine ethanesulfonic acid PDB code: 6j1q(A).
		3. Ligand: SO4 × 1 Sulfate ion PDB code: 6j1q(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: BOG × 1 Octyl beta-D-Glucopyranoside PDB code: 1tcb(A).

Cluster 5 contains 2 ligand types

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Ligand		Description
		1. Ligand: EDO × 4 1,2-Ethanediol PDB codes: 6isq(A), 6j1q(A), 6j1t(A).
		2. Ligand: EPE × 1 4-(2-Hydroxyethyl)-1-Piperazine ethanesulfonic acid PDB code: 6j1q(A).

Cluster 6 contains 3 ligand types

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Ligand		Description
		1. Ligand: SO4 × 2 Sulfate ion PDB codes: 6j1p(A), 6j1q(A).
		2. Ligand: EDO × 1 1,2-Ethanediol PDB code: 6j1r(B).
		3. Ligand: PEG × 1 Di(hydroxyethyl)ether PDB code: 6isr(A).