Ligand clusters for UniProt code P00782

Ligand clusters for P00782: Subtilisin BPN' from Bacillus amyloliquefaciens

		Top 6 (of 32) ligand clusters Cluster 1. 8 ligand types 13 ligands Cluster 2. 4 ligand types 23 ligands Cluster 3. 5 ligand types 43 ligands Cluster 4. 4 ligand types 7 ligands Cluster 5. 2 ligand types 16 ligands Cluster 6. 2 ligand types 16 ligands
Representative protein: 1lw6E

Structures

PDB		Schematic diagram
1lw6E
1gnsA
1subA
1v5iA
5sicE
		more ...

Cluster 1 contains 8 ligand types

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Ligand		Description
		1. Ligand: GOL × 3 glycerin Glycerol PDB codes: 1v5i(A), 7am3(A).
		2. Ligand: SO4 × 3 Sulfate ion PDB codes: 7am4(A), 7am7(A).
		3. Ligand: DFP × 2 Diisopropyl phosphonate PDB codes: 1dui(A), 1sue(A).
		4. Ligand: 15P × 1 Polyethylene glycol (n=34) PDB code: 1y3d(E).
		5. Ligand: AKR × 1 Acrylic acid PDB code: 7am8(A).
		6. Ligand: ALA-LEU-ALA-LEU × 1 PDB code: 1sua(A).
		7. Ligand: PMS × 1 Benzylsulfinic acid PDB code: 1sup(A).
		8. Ligand: VAL-GLU-GLU-ASP-HIS-VAL-ALA-HIS-ALA × 1 PDB code: 5ox2(A).

Cluster 2 contains 4 ligand types

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Ligand		Description
		1. Ligand: GOL × 6 glycerin Glycerol PDB codes: 1v5i(A), 7am3(A), 7am4(A), 7am6(A), 7am7(A).
		2. Ligand: 15P × 10 Polyethylene glycol (n=34) PDB codes: 1to2(E), 1y1k(E), 1y33(E), 1y34(E), 1y3b(E), 1y3c(E), 1y3d(E), 1y3f(E), 1y48(E), 1y4a(E).
		3. Ligand: 1PE × 6 Pentaethylene glycol PDB codes: 1tm3(E), 1tm4(E), 1tm5(E), 1tm7(E), 1tmg(E), 1to1(E).
		4. Ligand: 1PE-1PE × 1 1PE=Pentaethylene glycol. PDB code: 1tm1(E).

Cluster 3 contains 5 ligand types

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Ligand		Description
		1. Ligand: CIT × 32 citric acid Citric acid PDB codes: 1tm1(E), 1tm3(E), 1tm4(E), 1tm5(E), 1tm7(E), 1tmg(E), 1to1(E), 1to2(E), 1y1k(E), 1y33(E), 1y34(E), 1y3b(E), 1y3c(E), 1y3d(E), 1y3f(E), 1y48(E),
		2. Ligand: GOL × 3 glycerin Glycerol PDB codes: 7am3(A), 7am4(A), 7am7(A).
_Zn		3. Metal: _ZN × 3 PDB codes: 3bgo(S), 3cnq(S), 3co0(S).
		4. Ligand: SO4 × 4 Sulfate ion PDB codes: 1lw6(E), 1s02(A), 1st2(A), 2st1(A).
		5. Ligand: HIS × 1 PDB code: 7am8(A).

Cluster 4 contains 4 ligand types

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Ligand		Description
		1. Ligand: IPA × 4 isopropyl alcohol Isopropyl alcohol PDB codes: 1ak9(A), 1aqn(A), 1au9(A), 1s01(A).
		2. Ligand: GOL × 1 glycerin Glycerol PDB code: 1v5i(A).
		3. Ligand: 1PE × 1 Pentaethylene glycol PDB code: 1to1(E).
		4. Ligand: ACN × 1 Acetone PDB code: 1a2q(A).

Cluster 5 contains 2 ligand types

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Ligand		Description
		1. Ligand: 15P × 9 Polyethylene glycol (n=34) PDB codes: 1to2(E), 1y1k(E), 1y33(E), 1y34(E), 1y3b(E), 1y3c(E), 1y3d(E), 1y3f(E), 1y48(E).
		2. Ligand: 1PE × 7 Pentaethylene glycol PDB codes: 1tm1(E), 1tm3(E), 1tm4(E), 1tm5(E), 1tm7(E), 1tmg(E), 1to1(E).

Cluster 6 contains 2 ligand types

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Ligand		Description
		1. Ligand: 15P × 10 Polyethylene glycol (n=34) PDB codes: 1tmg(E), 1to2(E), 1y1k(E), 1y33(E), 1y34(E), 1y3b(E), 1y3c(E), 1y3d(E), 1y3f(E), 1y48(E).
		2. Ligand: 1PE × 6 Pentaethylene glycol PDB codes: 1tm1(E), 1tm3(E), 1tm4(E), 1tm5(E), 1tm7(E), 1to1(E).