Ligand clusters for UniProt code Q9UBS5

Ligand clusters for Q9UBS5: Gamma-aminobutyric acid type B receptor subunit 1 from Homo sapiens

		Top 6 (of 11) ligand clusters Cluster 1. 8 ligand types 15 ligands Cluster 2. 4 ligand types 11 ligands Cluster 3. 10 ligand types 16 ligands Cluster 4. 3 ligand types 8 ligands Cluster 5. 2 ligand types 16 ligands Cluster 6. 2 ligand types 9 ligands
Representative protein: 6uo8A

Structures

PDB		Schematic diagram
6uo8A
6vjmA
6wivA
7c7sA
7cumA
		more ...

Cluster 1 contains 8 ligand types

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Ligand		Description
		1. Ligand: NAG × 2 n-acetylglucosamine 2-Acetamido-2-Deoxy-Beta-D-Glucopyranose PDB codes: 7c7q(A), 7c7s(A).
		2. Ligand: NAG-NAG × 3 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose. PDB codes: 6uoa(A), 6w2x(A), 6w2y(A).
		3. Ligand: NAG-NAG-MAN-MAN-MAN-FUC × 3 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, MAN=Alpha-D-Mannopyranose, FUC=Alpha-L-Fucopyranose. PDB codes: 4mqe(A), 4mqf(A), 4mr7(A).
		4. Ligand: NAG-NAG-BMA × 2 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, BMA=Beta-D-Mannopyranose. PDB codes: 6uo8(A), 6uo9(A).
		5. Ligand: NAG-NAG-MAN-BMA × 2 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, MAN=Alpha-D-Mannopyranose, BMA=Beta-D-Mannopyranose. PDB codes: 4mrm(A), 4ms1(A).
		6. Ligand: NAG-NAG-BMA-BMA-FUC × 1 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, BMA=Beta-D-Mannopyranose, FUC=Alpha-L-Fucopyranose. PDB code: 4mr8(A).
		7. Ligand: NAG-NAG-FUC × 1 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, FUC=Alpha-L-Fucopyranose. PDB code: 6vjm(A).
		8. Ligand: NAG-NAG-MAN-FUC × 1 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, MAN=Alpha-D-Mannopyranose, FUC=Alpha-L-Fucopyranose. PDB code: 4mr9(A).

Cluster 2 contains 4 ligand types

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Ligand		Description
		1. Ligand: CLR × 7 cholesterol Cholesterol PDB codes: 6wiv(A), 7cum(A),
		2. Ligand: L9Q × 2 (1s)-2-{[(S)-(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-1- [(Octadecanoyloxy)methyl]ethyl (9z)- Octadec-9-Enoate PDB codes: 6w2x(A), 6w2y(A).
		3. Ligand: U3G × 1 (2r)-3-{[(S)-(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2- {[(9z)-Octadec-9- Enoyl]oxy}propyl (5z,8z,11z,14z)- Icosa-5,8,11,14-Tetraenoate PDB code: 6wiv(A).
		4. Ligand: UNL × 1 Unknown ligand PDB code: 7cum(A).

Cluster 3 contains 10 ligand types

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Ligand		Description
		1. Ligand: ABU × 1 gamma-aminobutyric acid Gamma-Amino-Butanoic acid PDB code: 4ms3(A).
		2. Ligand: 2BV × 3 (R)-(Cyclohexylmethyl)[(2s)-3-{[(1s)-1-(3,4- Dichlorophenyl)ethyl]amino}-2- Hydroxypropyl]phosphinic acid PDB codes: 4mr7(A), 7c7s(A), 7cum(A).
		3. Ligand: 2C0 × 3 Baclofen PDB codes: 4ms4(A), 7c7q(A), 7eb2(C).
		4. Ligand: QD7 × 2 (R)-(3-Aminopropyl)methylphosphinic acid PDB codes: 6uo8(A), 6uo9(A).
		5. Ligand: SGG × 2 [(2~{s})-3-[[(1~{s})-1-(3,4-Dichlorophenyl) ethyl]amino]-2-Oxidanyl-Propyl]- (Phenylmethyl) phosphinic acid PDB codes: 6w2x(A), 6w2y(A).
		6. Ligand: 2BQ × 1 2-Hydroxysaclofen PDB code: 4mqf(A).
		7. Ligand: 2BW × 1 (S)-(3-Aminopropyl)(diethoxymethyl)phosphinic acid PDB code: 4mr8(A).
		8. Ligand: 2BX × 1 [(2s)-5,5-Dimethylmorpholin-2-Yl]acetic acid PDB code: 4mr9(A).
		9. Ligand: 2BY × 1 Phaclofen PDB code: 4mrm(A).
		10. Ligand: 381 × 1 (S)-(3-Aminopropyl)(cyclohexylmethyl)phosphinic acid PDB code: 4ms1(A).

Cluster 4 contains 3 ligand types

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Ligand		Description
		1. Ligand: CLR × 4 cholesterol Cholesterol PDB codes: 6wiv(A), 7cum(A),
		2. Ligand: FN0 × 3 (3s)-5,7-Ditert-Butyl-3-Oxidanyl-3-(Trifluoromethyl)-1- Benzofuran-2-One PDB codes: 7c7q(A), 7ca3(A), 7eb2(C).
		3. Ligand: QDA × 1 N~4~,N~6~-Dicyclopentyl-2-(Methylsulfanyl)-5- Nitropyrimidine-4,6-Diamine PDB code: 6uo8(A).

Cluster 5 contains 2 ligand types

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Ligand		Description
		1. Ligand: NAG × 12 n-acetylglucosamine 2-Acetamido-2-Deoxy-Beta-D-Glucopyranose PDB codes: 4mqe(A), 4mqf(A), 4mr7(A), 4mr8(A), 4mr9(A), 4mrm(A), 4ms1(A), 6w2x(A), 6w2y(A), 6wiv(A), 7c7q(A), 7c7s(A).
		2. Ligand: NAG-NAG × 4 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose. PDB codes: 6uo8(A), 6uo9(A), 6uoa(A), 6vjm(A).

Cluster 6 contains 2 ligand types

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Ligand		Description
		1. Ligand: NAG × 6 n-acetylglucosamine 2-Acetamido-2-Deoxy-Beta-D-Glucopyranose PDB codes: 6uo8(A), 6w2x(A), 6w2y(A), 6wiv(A), 7c7q(A), 7c7s(A).
		2. Ligand: NAG-NAG × 3 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose. PDB codes: 6uo9(A), 6uoa(A), 6vjm(A).