Ligand clusters for UniProt code Q16769

Ligand clusters for Q16769: Glutaminyl-peptide cyclotransferase from Homo sapiens

		Top 6 (of 28) ligand clusters Cluster 1. 13 ligand types 63 ligands Cluster 2. 2 ligand types 2 ligands Cluster 3. 2 ligand types 2 ligands Cluster 4. 2 ligand types 2 ligands Cluster 5. 3 ligand types 7 ligands Cluster 6. 2 ligand types 2 ligands
Representative protein: 6yi1A

Structures

PDB		Schematic diagram
6yi1A
3si0A
2zegA
6yjyA
2zefA
		more ...

Cluster 1 contains 13 ligand types

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Ligand		Description
_Zn		1. Metal: _ZN × 27 PDB codes: 2afm(A), 2afo(A), 2afs(A), 2afu(A), 2afw(A), 2afx(A), 2afz(A), 2zed(A), 2zee(A), 2zef(A), 2zeg(A), 2zeh(A), 2zel(A), 2zem(A), 2zen(A), 2zeo(A), 2zep(A), 3pbb(A), 3pbe(A), 3si0(A), 4yu9(A), 4ywy(A), 6gbx(A), 6yi1(A), 6yjy(A), 7coz(A), 7cp0(A).
		2. Ligand: BGT × 1 Tert-Butyl d-Alpha-Glutaminate PDB code: 2afu(A).
		3. Ligand: AHN × 1 N-[2-(1h-Imidazol-4-Yl)ethyl]acetamide PDB code: 2afw(A).
		4. Ligand: NVI × 1 1-Vinylimidazole PDB code: 2afz(A).
		5. Ligand: 1BN × 1 1-Benzyl-1h-Imidazole PDB code: 2afx(A).
		6. Ligand: SO4 × 18 Sulfate ion PDB codes: 2afm(A), 2afo(A), 2afs(A), 2afw(A), 2afx(A), 2afz(A), 2zed(A), 2zee(A), 2zef(A), 2zeg(A), 2zeh(A), 2zel(A), 2zem(A), 2zen(A), 2zeo(A), 2zep(A), 3pbe(A), 6yjy(A).
		7. Ligand: EDO × 6 1,2-Ethanediol PDB codes: 4ywy(A), 6gbx(A), 7coz(A), 7cp0(A),
		8. Ligand: IMD × 2 Imidazole PDB codes: 2zeg(A), 3si0(A).
		9. Ligand: PBD × 2 1-(3,4-Dimethoxyphenyl)-3-[3-(1h-Imidazol-1-Yl) propyl]thiourea PDB codes: 3pbb(A), 4ywy(A).
		10. Ligand: ORT-PHE-66N × 1 ORT=(4~{s})-4-Azanyl-5-Oxidanylidene-Pentanehydrazide, 66N=L-Alaninamide. PDB code: 6yi1(A).
		11. Ligand: PCA-LEU-TYR × 1 PCA=Pyroglutamic acid. PDB code: 6yjy(A).
		12. Ligand: Q39 × 1 1-[3-(2-Methyl-4-Thiophen-2-Yl-1,3-Thiazol-5-Yl) propanoyl]piperidine-4-Carboxamide PDB code: 7coz(A).
		13. Ligand: S77 × 1 2-Fluoranyl-5-[2-[4-(4-Methyl-1,2,4-Triazol-3-Yl) piperidin-1-Yl]pyridin-3-Yl]pyridine PDB code: 6gbx(A).

Cluster 2 contains 2 ligand types

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Ligand		Description
		1. Ligand: EDO × 1 1,2-Ethanediol PDB code: 4yu9(A).
		2. Ligand: NAG-NAG × 1 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose. PDB code: 3si0(A).

Cluster 3 contains 2 ligand types

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Ligand		Description
_Zn		1. Metal: _ZN × 1 PDB code: 6yi1(A).
		2. Ligand: ORT-PHE-66N × 1 ORT=(4~{s})-4-Azanyl-5-Oxidanylidene-Pentanehydrazide, 66N=L-Alaninamide. PDB code: 6yi1(A).

Cluster 4 contains 2 ligand types

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Ligand		Description
		1. Ligand: DIO × 1 1,4-Diethylene dioxide PDB code: 6yi1(A).
		2. Ligand: MES × 1 2-(N-Morpholino)-Ethanesulfonic acid PDB code: 6yjy(A).

Cluster 5 contains 3 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 6yi1(A).
		2. Ligand: EDO × 5 1,2-Ethanediol PDB codes: 4yu9(A), 6gbx(A), 7coz(A), 7cp0(A),
		3. Ligand: PEG × 1 Di(hydroxyethyl)ether PDB code: 6yi1(A).

Cluster 6 contains 2 ligand types

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Ligand		Description
		1. Ligand: EDO × 1 1,2-Ethanediol PDB code: 4ywy(A).
		2. Ligand: PG4 × 1 Tetraethylene glycol PDB code: 6yi1(A).