Ligand clusters for UniProt code P0DTD1_13

Ligand clusters for P0DTD1_13: NSP13 - helicase/triphosphatase (601 aa)

		Top 6 (of 19) ligand clusters Cluster 1. 10 ligand types 119 ligands Cluster 2. 5 ligand types 5 ligands Cluster 3. 2 ligand types 4 ligands Cluster 4. 2 ligand types 2 ligands Cluster 5. 2 ligand types 2 ligands Cluster 6. 2 ligand types 2 ligands
Representative protein: 6xezE

Structures

PDB		Schematic diagram
6xezE
7nioA
7krnE
5rlbA
5rleA
		more ...

Cluster 1 contains 10 ligand types

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Ligand		Description
		1. Ligand: PO4 × 108 Phosphate ion PDB codes: 5rl6(A), 5rl7(B), 5rl8(B), 5rl9(A), 5rlb(A), 5rlc(A), 5rld(A), 5rle(A), 5rlf(A), 5rlg(B), 5rlh(A), 5rli(A), 5rlj(A), 5rlk(A), 5rll(A), 5rlm(A), 5rln(A), 5rlo(A), 5rlp(A), 5rlq(A), 5rlr(A), 5rls(A), 5rlt(A), 5rlu(A), 5rlv(A), 5rlw(A), 5rly(A), 5rlz(B), 5rm0(A), 5rm1(A), 5rm2(A), 5rm3(B), 5rm4(B), 5rm5(A), 5rm6(A), 5rm7(A), 5rm8(A), 5rm9(A), 5rma(A), 5rmb(A), 5rmc(A), 5rmd(A), 5rme(B), 5rmf(A), 5rmg(A), 5rmh(A), 5rmi(A), 5rmj(B), 5rmk(A), 5rml(B), 5rmm(A), 5rob(B), 6zsl(B), 7nng(B),
		2. Ligand: ADP × 2 Adenosine-5'-Diphosphate PDB codes: 7krn(E), 7kro(E).
		3. Ligand: AF3 × 2 Aluminum fluoride PDB codes: 7krn(E), 7kro(E).
		4. Ligand: ADP-AF3 × 1 ADP=Adenosine-5'-Diphosphate, AF3=Aluminum fluoride. PDB code: 6xez(E).
		5. Ligand: ANP × 1 Phosphoaminophosphonic acid-Adenylate ester PDB code: 7nn0(A).
		6. Ligand: K34 × 1 5-(1,3-Thiazol-2-Yl)-1h-1,2,4-Triazole PDB code: 5rly(A).
		7. Ligand: NZG × 1 3-(Acetylamino)-4-Fluorobenzoic acid PDB code: 5rln(A).
		8. Ligand: UJK × 1 1-(2-Methylphenyl)-1h-1,2,3-Triazole-4-Carboxylic acid PDB code: 7nng(B).
		9. Ligand: VWG × 1 N-Hydroxyquinoline-2-Carboxamide PDB code: 5rls(A).
		10. Ligand: VWJ × 1 N-(Propan-2-Yl)-1h-Benzimidazol-2-Amine PDB code: 5rlv(A).

Cluster 2 contains 5 ligand types

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Ligand		Description
		1. Ligand: JFM × 1 N-(2-Phenylethyl)methanesulfonamide PDB code: 5rli(A).
		2. Ligand: RYM × 1 4-(Benzimidazol-1-Ylmethyl)benzenecarbonitrile PDB code: 5rme(B).
		3. Ligand: S9S × 1 ~{N}-[2-(4-Fluorophenyl)ethyl]methanesulfonamide PDB code: 5rlw(A).
		4. Ligand: VVJ × 1 N-Cycloheptyl-N-Methylmethanesulfonamide PDB code: 5rlb(A).
		5. Ligand: VWY × 1 N-Ethyl-4-[(Methylsulfonyl)amino]benzamide PDB code: 5rmd(A).

Cluster 3 contains 2 ligand types

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Ligand		Description
		1. Ligand: 1N7 × 3 Chapso PDB codes: 6xez(E), 7krn(E), 7kro(E).
		2. Ligand: VVG × 1 N-(2-Fluorophenyl)ethanesulfonamide PDB code: 5rl8(B).

Cluster 4 contains 2 ligand types

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Ligand		Description
		1. Ligand: STV × 1 ~{N}-(1,3-Benzodioxol-5-Ylmethyl)ethanesulfonamide PDB code: 5rmi(A).
		2. Ligand: VW7 × 1 N-(8-Methyl-1,2,3,4-Tetrahydroquinolin-5-Yl)acetamide PDB code: 5rlm(A).

Cluster 5 contains 2 ligand types

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Ligand		Description
		1. Ligand: NX7 × 1 (2,6-Difluorophenyl)(pyrrolidin-1-Yl)methanone PDB code: 5rmf(A).
		2. Ligand: VWV × 1 Ethyl (1,1-Dioxo-1lambda~6~,4-Thiazinan-4-Yl)acetate PDB code: 5rmb(A).

Cluster 6 contains 2 ligand types

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Ligand		Description
		1. Ligand: JOV × 1 3-Chloro-N-(1-Hydroxy-2-Methylpropan-2-Yl)benzamide PDB code: 5rmj(B).
		2. Ligand: S7J × 1 2-(Trifluoromethyl)pyrimidine-5-Carboxamide PDB code: 5rm3(B).