Ligand clusters for UniProt code P62937

Ligand clusters for P62937: Peptidyl-prolyl cis-trans isomerase A from Homo sapiens

		Top 6 (of 12) ligand clusters Cluster 1. 52 ligand types 67 ligands Cluster 2. 4 ligand types 5 ligands Cluster 3. 2 ligand types 3 ligands Cluster 4. 1 ligand type 1 ligand Cluster 5. 1 ligand type 1 ligand Cluster 6. 1 ligand type 1 ligand
Representative protein: 4n1mA

Structures

PDB		Schematic diagram
4n1mA
6x4mA
5ludA
5nosA
5notA
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Cluster 1 contains 52 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 2xgy(B).
		2. Ligand: L89 × 1 amifampridine Pyridine-3,4-Diamine PDB code: 5now(A).
		3. Ligand: E1P × 1 Ethyl oxo(piperidin-1-Yl)acetate PDB code: 1w8m(A).
		4. Ligand: 1P3 × 1 (3r)-1-Acetyl-3-Methylpiperidine PDB code: 1w8l(A).
		5. Ligand: SFM × 2 (13e,15e)-(3s,6s,9r,10r,11s,12s,18s,21s)-10,12- Dihydroxy-3-(3-Hydroxyben-Zyl)-18-((E)-3-Hydroxy-1- Methylpropenyl)-6-Isopropyl-11-Methyl-9-(3-Oxo-Butyl)- 19-Oxa-1,4,7,25-Tetraaza- Bicyclo[19.3.1]pentacosa-13, 15-Diene-2,5,8,20-Tetraone PDB codes: 1nmk(A),
		6. Ligand: SFA × 2 Sanglifehrin a PDB codes: 1ynd(A),
		7. Ligand: HIS-ALA-GLY-PRO-ILE-ALA × 4 PDB codes: 1awq(A), 1awr(A), 1aws(A), 1awt(A).
		8. Ligand: WM1 × 3 Pyridine-2-Carboxamide PDB codes: 4n1p(A),
		9. Ligand: 7HG × 2 3-[(3-Hydroxyphenyl)methyl]-10,12-Dimethoxy-9,11- Dimethyl-6-(Propan-2-Yl)-19-Oxa-1,4,7,25- Tetraazabicyclo[19.3.1]pentacosa-13,15-Diene-2,5,8,20- Tetrone PDB codes: 5t9u(A),
		10. Ligand: EA4 × 2 Ethyl n-[(4-Aminobenzyl)carbamoyl]glycinate PDB codes: 3rdd(A), 6gs6(A).
		11. Ligand: GLY-PRO × 2 PDB codes: 4n1m(A), 5cyh(A).
		12. Ligand: HIS-VAL-GLY-PRO-ILE-ALA × 2 PDB codes: 1awu(A), 1awv(A).
		13. Ligand: L36 × 2 Ethyl 2-[[(4-Aminophenyl)methyl-Propyl- Carbamoyl]amino]ethanoate PDB codes: 6gjj(A), 6gjm(A).
		14. Ligand: SIN-ALA-GLY-PRO-PHE-NIT × 2 SIN=Succinic acid, NIT=4-Nitroaniline. PDB codes: 1zkf(A),
		15. Ligand: UMM × 2 Tert-Butyl [(2s)-1-{[(3s,17s)-2,16-Dioxo-10,15-Dioxa-1, 21-Diazatricyclo[15.3.1.1~5,9~]docosa- 5(22),6,8-Trien- 3-Yl]amino}-3-Methyl-1-Oxobutan-2-Yl]carbamate PDB codes: 6x3y(A), 6x4m(A).
		16. Ligand: WM4 × 2 Benzohydrazide PDB codes: 4n1s(A),
		17. Ligand: 76X × 1 Pyridine-2,3-Diamine PDB code: 5lud(A).
		18. Ligand: 78E × 1 3-[(3-Hydroxyphenyl)methyl]-6-(Propan-2-Yl)-19-Oxa-1,4, 7,25-Tetraazabicyclo[19.3.1]pentacosa- 13,15-Diene-2,5, 8,20-Tetrone PDB code: 5t9w(A).
		19. Ligand: 78R × 1 11-[(3-Hydroxyphenyl)methyl]-18-Methoxy-17-Methyl-14- (Propan-2-Yl)-3-Oxa-9,12,15,28- Tetraazatricyclo[21.3.1.1~5,9~]octacosa-1(27),21,23, 25-Tetraene-4,10,13,16-Tetrone PDB code: 5t9z(A).
		20. Ligand: 78X × 1 11-[(3-Hydroxyphenyl)methyl]-18-Methoxy-2,17-Dimethyl- 14-(Propan-2-Yl)-3-Oxa-9,12,15,28- Tetraazatricyclo[21.3.1.1~5,9~]octacosa-1(27),21,23, 25-Tetraene-4,10,13,16-Tetrone PDB code: 5ta2(A).
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Cluster 2 contains 4 ligand types

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Ligand		Description
		1. Ligand: GOL × 2 glycerin Glycerol PDB codes: 6gji(A), 6gjn(A).
		2. Ligand: 938 × 1 4-Chloranylpyrimidin-5-Amine PDB code: 5not(A).
		3. Ligand: 93E × 1 3-Chloranylpyridin-2-Amine PDB code: 5noq(A).
		4. Ligand: 93Q × 1 3-Methylpyridin-2-Amine PDB code: 5nor(A).

Cluster 3 contains 2 ligand types

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Ligand		Description
		1. Ligand: LSA × 2 1,2-Benzisothiazol-3(2h)-One 1,1-Dioxide PDB codes: 4n1o(A),
		2. Ligand: L60 × 1 1,3-Diazinan-2-One PDB code: 5nou(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: LSA × 1 1,2-Benzisothiazol-3(2h)-One 1,1-Dioxide PDB code: 4n1o(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: LSA × 1 1,2-Benzisothiazol-3(2h)-One 1,1-Dioxide PDB code: 4n1o(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: TRS × 1 tromethamine 2-Amino-2-Hydroxymethyl-Propane-1,3-Diol PDB code: 5nou(A).