Ligand clusters for UniProt code P30405

Ligand clusters for P30405: Peptidyl-prolyl cis-trans isomerase F, mitochondrial from Homo sapiens

		Top 6 (of 14) ligand clusters Cluster 1. 50 ligand types 91 ligands Cluster 2. 10 ligand types 22 ligands Cluster 3. 2 ligand types 3 ligands Cluster 4. 3 ligand types 6 ligands Cluster 5. 3 ligand types 5 ligands Cluster 6. 1 ligand type 1 ligand
Representative protein: 2biuX

Structures

PDB		Schematic diagram
2biuX
4zsdA
3r59A
4zscA
4j5bA
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Cluster 1 contains 50 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: GOL × 5 glycerin Glycerol PDB codes: 3r4g(A), 3r57(A),
		2. Ligand: DMS × 4 dimethyl sulfoxide Dimethyl sulfoxide PDB codes: 2biu(X),
		3. Ligand: CIT × 3 citric acid Citric acid PDB codes: 2z6w(A), 6gjx(A), 6ybm(A).
		4. Ligand: BS4 × 2 sulfabenzamide N-[(4-Aminophenyl)sulfonyl]benzamide PDB codes: 3rcf(A),
		5. Ligand: PGE × 11 Triethylene glycol PDB codes: 5cbt(A), 5cbu(A), 5cbv(A), 5cbw(A), 5ccn(A), 5ccq(A), 5ccr(A), 6r9u(A),
		6. Ligand: 1FP × 4 Piperazine-1-Carbaldehyde PDB codes: 3rck(X),
		7. Ligand: MIO × 4 3-Methyl-1,2-Oxazol-5-Amine PDB codes: 3rda(X),
		8. Ligand: EA4 × 3 Ethyl n-[(4-Aminobenzyl)carbamoyl]glycinate PDB codes: 3rdc(A), 4xnc(A), 4zsc(A).
		9. Ligand: M3I × 3 5-Methyl-1,2-Oxazol-3-Amine PDB codes: 3rci(X),
		10. Ligand: N3M × 3 N-(3-Aminophenyl)acetamide PDB codes: 3r57(A),
		11. Ligand: PEG × 3 Di(hydroxyethyl)ether PDB codes: 4o8h(A), 5ccr(A), 6ra1(A).
		12. Ligand: 12P × 2 Dodecaethylene glycol PDB codes: 5nwo(A), 6y3e(A).
		13. Ligand: 4ZM × 2 Ethyl n-{[3-(Pyridin-4-Yl)benzyl]carbamoyl}glycinate PDB codes: 5cbu(A),
		14. Ligand: 7I6 × 2 1-(4-Aminobenzyl)-3-[(2s)-4-(Methylsulfanyl)-1-{(2r)-2- [2-(Methylsulfanyl)phenyl]pyrrolidin-1-Yl}- 1-Oxobutan- 2-Yl]urea PDB codes: 4j5c(X), 4zsd(A).
		15. Ligand: EDO × 2 1,2-Ethanediol PDB codes: 6gjx(A), 6ybm(A).
		16. Ligand: F2E × 2 1-[(4-Aminophenyl)methyl]-3-[(2~{s},3~{r})-1-[2-(2- Bromophenyl)pyrazolidin-1-Yl]-1-Oxidanylidene- 3-(3- Oxidanylpropoxy)butan-2-Yl]urea PDB codes: 6gjx(A),
		17. Ligand: JVN × 2 (1~{r},9~{r},10~{s})-4-Fluoranyl-12-Oxa-8- Azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-Trien-10-Ol PDB codes: 6r9s(A),
		18. Ligand: JVQ × 2 14-Ethyl-4,6-Dioxa-10,14-Diazatricyclo[7.6.0.0^{3, 7}]pentadeca-1(9),2,7-Trien-13-One PDB codes: 6r9u(A), 6ra1(A).
		19. Ligand: 1PE × 1 Pentaethylene glycol PDB code: 6r9s(A).
		20. Ligand: 3AO × 1 1-(3-Aminophenyl)ethanone PDB code: 3r59(A).
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Cluster 2 contains 10 ligand types

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Ligand		Description
		1. Ligand: PG4 × 10 Tetraethylene glycol PDB codes: 5cbt(A), 5cbu(A), 5cbv(A), 5cbw(A), 5ccn(A), 5ccq(A), 5ccr(A), 6r8o(A), 6r9s(A), 6r9u(A).
		2. Ligand: 12P × 2 Dodecaethylene glycol PDB codes: 5nwo(A), 6y3e(A).
		3. Ligand: 1PE × 2 Pentaethylene glycol PDB codes: 4o8h(A), 4o8i(A).
		4. Ligand: P4C × 2 O-Acetaldehydyl-Hexaethylene glycol PDB codes: 3rcl(A), 3rdb(A).
		5. Ligand: 1FP × 1 Piperazine-1-Carbaldehyde PDB code: 3rck(X).
		6. Ligand: M3I × 1 5-Methyl-1,2-Oxazol-3-Amine PDB code: 3rci(X).
		7. Ligand: N3M × 1 N-(3-Aminophenyl)acetamide PDB code: 3r57(A).
		8. Ligand: P33 × 1 3,6,9,12,15,18-Hexaoxaicosane-1,20-Diol PDB code: 3r56(A).
		9. Ligand: P6G × 1 Hexaethylene glycol PDB code: 6r8w(A).
		10. Ligand: Q8A × 1 Quinolin-8-Amine PDB code: 3r49(A).

Cluster 3 contains 2 ligand types

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Ligand		Description
		1. Ligand: EDO × 2 1,2-Ethanediol PDB codes: 5nwo(A), 6y3e(A).
		2. Ligand: 4SO × 1 4-Sulfamoylbenzoic acid PDB code: 3r4g(A).

Cluster 4 contains 3 ligand types

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Ligand		Description
		1. Ligand: PO4 × 3 Phosphate ion PDB codes: 5nwo(A), 6r8o(A), 6y3e(A).
		2. Ligand: SO4 × 2 Sulfate ion PDB codes: 6r9u(A), 6ra1(A).
		3. Ligand: PEG × 1 Di(hydroxyethyl)ether PDB code: 3rd9(X).

Cluster 5 contains 3 ligand types

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Ligand		Description
		1. Ligand: DMS × 1 dimethyl sulfoxide Dimethyl sulfoxide PDB code: 4j5a(X).
		2. Ligand: EDO × 2 1,2-Ethanediol PDB codes: 5nwo(A), 6y3e(A).
		3. Ligand: SO4 × 2 Sulfate ion PDB codes: 6r8o(A), 6r9s(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: PG4 × 1 Tetraethylene glycol PDB code: 6ra1(A).