Ligand clusters for UniProt code Q9UM07

Ligand clusters for Q9UM07: Protein-arginine deiminase type-4 from Homo sapiens

		Top 6 (of 9) ligand clusters Cluster 1. 15 ligand types 27 ligands Cluster 2. 1 ligand type 8 ligands Cluster 3. 1 ligand type 13 ligands Cluster 4. 1 ligand type 1 ligand Cluster 5. 1 ligand type 1 ligand Cluster 6. 1 ligand type 13 ligands
Representative protein: 5n0zA

Structures

PDB		Schematic diagram
5n0zA
5n1bA
5n0yA
4dktA
5n0mA
		more ...

Cluster 1 contains 15 ligand types

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Ligand		Description
		1. Ligand: BFB × 1 N-[(1s)-1-(Aminocarbonyl)-4-(Ethanimidoylamino) butyl]benzamide PDB code: 2dw5(A).
		2. Ligand: BAG × 1 N-[(E)-2-Amino-1-(3-{[Amino(imino)methyl]amino}propyl)- 2-Hydroxyvinyl]benzamide PDB code: 1wda(A).
		3. Ligand: SO4 × 13 Sulfate ion PDB codes: 1wd9(A), 1wda(A), 2dw5(A), 2dew(X), 2dex(X), 2dey(X), 3b1t(A), 3b1u(A), 4dkt(A), 5n0m(A), 5n0y(A), 5n0z(A), 5n1b(A).
		4. Ligand: 3YZ × 1 [(3s,4r)-3-Amino-4-Hydroxypiperidin-1-Yl]{2-[1- (Cyclopropylmethyl)-1h-Pyrrolo[2,3-B]pyridin-2-Yl]- 7- Methoxy-1-Methyl-1h-Benzimidazol-5-Yl}methanone PDB code: 4x8c(A).
		5. Ligand: 3Z0 × 1 [(3r)-3-Aminopiperidin-1-Yl][2-(1-Ethyl-1h-Pyrrolo[2,3- B]pyridin-2-Yl)-7-Methoxy-1-Methyl-1h- Benzimidazol-5- Yl]methanone PDB code: 4x8g(A).
		6. Ligand: 8FQ × 1 ~{N}-[(1~{s})-4-(2-Fluoranylethanimidoylamino)-1-(4- Methoxy-1-Methyl-Benzimidazol-2-Yl)butyl]-3- Oxidanylidene-1,2-Dihydroisoindole-4-Carboxamide PDB code: 5n0y(A).
		7. Ligand: 8FT × 1 2-Ethyl-~{N}-[(1~{s})-4-(2-Fluoranylethanimidoylamino)- 1-(4-Methoxy-1-Methyl-Benzimidazol-2- Yl)butyl]-3- Oxidanylidene-1~{h}-Isoindole-4-Carboxamide PDB code: 5n0z(A).
		8. Ligand: 8FW × 1 ~{N}-[(1~{s})-1-(1~{h}-Benzimidazol-2-Yl)-4- (Ethanimidoylamino)butyl]-3-Oxidanylidene-Isoindole-4- Carboxamide PDB code: 5n1b(A).
		9. Ligand: 8HT × 1 ~{N}-[(1~{s})-1-(1~{h}-Benzimidazol-2-Yl)-4-(2- Fluoranylethanimidoylamino)butyl]-4-Phenyl- Benzamide PDB code: 5n0m(A).
		10. Ligand: ACE-SER-GLY-ARG-GLY-LYS × 1 ACE=Acetyl group. PDB code: 2dey(X).
		11. Ligand: ALA-PRO-ARG-LYS-GLN × 1 PDB code: 2dex(X).
		12. Ligand: ASP-FIO-NH2 × 1 FIO=N~5~-[(1e)-2-Fluoroethanimidoyl]-L-Ornithine, NH2=Amino group. PDB code: 4dkt(A).
		13. Ligand: THR-ALA-ARG-LYS-SER × 1 PDB code: 2dew(X).
		14. Ligand: YCL × 1 2-{[(2s)-1-Amino-5-{[(1z)-2-Chloroethanimidoyl]amino}- 1-Oxopentan-2-Yl]carbamoyl}benzoic acid PDB code: 3b1t(A).
		15. Ligand: YFF × 1 2-{[(2s)-1-Amino-5-{[(1z)-2-Fluoroethanimidoyl]amino}- 1-Oxopentan-2-Yl]carbamoyl}benzoic acid PDB code: 3b1u(A).

Cluster 2 contains 1 ligand type

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Ligand		Description
		1. Ligand: SO4 × 8 Sulfate ion PDB codes: 1wd9(A), 1wda(A), 2dw5(A), 2dew(X), 2dex(X), 2dey(X), 3b1t(A), 3b1u(A).

Cluster 3 contains 1 ligand type

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Ligand		Description
		1. Ligand: SO4 × 13 Sulfate ion PDB codes: 1wd9(A), 1wda(A), 2dw5(A), 2dew(X), 2dex(X), 2dey(X), 3b1t(A), 3b1u(A), 4dkt(A), 5n0m(A), 5n0y(A), 5n0z(A), 5n1b(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: EDO × 1 1,2-Ethanediol PDB code: 4dkt(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: EDO × 1 1,2-Ethanediol PDB code: 4dkt(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
_Ca		1. Metal: _CA × 13 PDB codes: 1wd9(A), 1wda(A), 2dew(X), 2dex(X), 2dey(X), 2dw5(A), 4dkt(A), 4x8c(A), 4x8g(A), 5n0m(A), 5n0y(A), 5n0z(A), 5n1b(A).