Ligand clusters for UniProt code P00766

Ligand clusters for P00766: Chymotrypsinogen A from Bos taurus

		Top 6 (of 20) ligand clusters Cluster 1. 32 ligand types 92 ligands Cluster 2. 6 ligand types 46 ligands Cluster 3. 3 ligand types 6 ligands Cluster 4. 2 ligand types 2 ligands Cluster 5. 2 ligand types 2 ligands Cluster 6. 3 ligand types 13 ligands
Representative protein: 1gl0E

Structures

PDB		Schematic diagram
1gl0E
1gl1A
1gcdA
4q2kA
2y6tA
		more ...

Cluster 1 contains 32 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: IPA × 5 isopropyl alcohol Isopropyl alcohol PDB codes: 1gha(G), 1ghb(F),
		2. Ligand: SO4 × 22 Sulfate ion PDB codes: 1oxg(A), 1p2m(A), 1p2n(A), 1p2o(A), 1p2q(A), 1t7c(A), 1t8l(A), 1t8m(A), 1t8n(A), 1t8o(A), 1yph(E), 3ru4(D), 3t62(A), 6di8(C), 7kty(A), 7ktz(A), 7ku0(A), 7ku3(A).
		3. Ligand: UNK-PRO-GLY-ALA-TYR × 5 PDB codes: 1gct(B), 2gct(C), 3gct(F),
		4. Ligand: APF × 4 1,1,1-Trifluoro-3-Acetamido-4-Phenyl butan-2-One(n- Acetyl-L-Phenylalanyl trifluoromethyl ketone) PDB codes: 1gg6(B), 6gch(F),
		5. Ligand: PBA × 4 Phenylethane boronic acid PDB codes: 6cha(B),
		6. Ligand: TSU × 4 Para-Toluene sulfonate PDB codes: 2cha(B),
		7. Ligand: EDO × 3 1,2-Ethanediol PDB codes: 1gg6(B),
		8. Ligand: HEX × 3 Hexane PDB codes: 1gmd(F),
		9. Ligand: 0FG × 2 D-Leucyl-N-(4-Fluorobenzyl)-L-Phenylalaninamide PDB codes: 1afq(B),
		10. Ligand: BVA × 2 Trihydroxy[(n-Hydroxybenzamidato)oxo]vanadate PDB codes: 2p8o(B),
		11. Ligand: DMC × 2 3-(4-Diethylamino-2-Hydroxy-Phenyl)-2-Methyl-Propionic acid PDB codes: 4gch(F),
		12. Ligand: FAF × 2 2-Acetylamino-4-Methyl-Pentanoic acid (1-Formyl-2- Phenyl-Ethyl)-Amide PDB codes: 1ggd(B),
		13. Ligand: GLY-ALA-TRP × 2 PDB codes: 8gch(F),
		14. Ligand: HIN × 2 (2s) n-Acetyl-L-Alanyl-Alphal-Phenylalanyl- Chloroethylketone PDB codes: 2gmt(B),
		15. Ligand: ISP × 2 Phosphorylisopropane PDB codes: 1gmh(F),
		16. Ligand: LPF × 2 1,1,1-Trifluoro-3-((N-Acetyl)-L-Leucylamido)-4-Phenyl- Butan-2-One(n-Acetyl-L-Leucyl-L- Phenylalanyl trifluoromethyl ketone) PDB codes: 7gch(F),
		17. Ligand: OAC × 2 Trans-O-Hydroxy-Alpha-Methyl cinnamate PDB codes: 3gch(B),
		18. Ligand: PRO-GLY-ALA × 2 PDB codes: 1ghb(F),
		19. Ligand: PRO-GLY-ALA-TYR × 2 PDB codes: 1gmc(F),
		20. Ligand: PRO-GLY-ALA-TYR-ASP × 2 PDB codes: 1gmd(F),
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Cluster 2 contains 6 ligand types

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Ligand		Description
		1. Ligand: CYS-GLY-VAL-PRO-ALA-ILE-GLN-PRO-VAL-LEU × 28 PDB codes: 1ab9(B), 1afq(B), 1cho(F), 1gg6(B), 1ggd(B), 1gmh(F), 1hja(B), 1vgc(B), 1yph(C), 2gmt(B), 2p8o(B), 2vgc(B), 3vgc(B), 4vgc(B),
		2. Ligand: CYS-GLY-VAL-PRO-ALA-ILE-GLN-PRO-VAL × 6 PDB codes: 2cha(B), 5cha(B), 6cha(B),
		3. Ligand: HEX × 5 Hexane PDB codes: 1ghb(E), 1gmd(E),
		4. Ligand: EDO × 4 1,2-Ethanediol PDB codes: 1gg6(B),
		5. Ligand: SO4 × 2 Sulfate ion PDB codes: 3ru4(D),
		6. Ligand: 0FG × 1 D-Leucyl-N-(4-Fluorobenzyl)-L-Phenylalaninamide PDB code: 1afq(B).

Cluster 3 contains 3 ligand types

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Ligand		Description
		1. Ligand: HEX × 3 Hexane PDB codes: 1ghb(G), 1gmd(F),
		2. Ligand: SO4 × 2 Sulfate ion PDB codes: 8gch(F),
		3. Ligand: 5BF × 1 (11s)-4,9-Dioxo-N-[(2s)-1-Oxo-3-Phenylpropan-2-Yl]-17, 22-Dioxa-10,30- Diazatetracyclo[21.2.2.2~13,16~.1~5, 8~]triaconta-1(25),5,7,13,15,23,26,28-Octaene-11- Carboxamide PDB code: 4q2k(A).

Cluster 4 contains 2 ligand types

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Ligand		Description
		1. Ligand: APL × 1 N-(1-Benzyl-3,3,3-Trifluoro-2,2-Dihydroxy-Propyl)- Acetamide PDB code: 1gg6(B).
		2. Ligand: SO4 × 1 Sulfate ion PDB code: 2gct(B).

Cluster 5 contains 2 ligand types

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Ligand		Description
		1. Ligand: TRS × 1 tromethamine 2-Amino-2-Hydroxymethyl-Propane-1,3-Diol PDB code: 1p2q(A).
		2. Ligand: MRD × 1 (4r)-2-Methylpentane-2,4-Diol PDB code: 3ru4(D).

Cluster 6 contains 3 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 3ru4(E).
		2. Ligand: SO4 × 10 Sulfate ion PDB codes: 1oxg(A), 1p2q(A), 1t7c(A), 1t8l(A), 1t8m(A), 1t8o(A), 2y6t(A), 3t62(A), 6di8(B).
		3. Ligand: EDO × 2 1,2-Ethanediol PDB codes: 3ru4(D),