Ligand clusters for UniProt code Q18DH8

Ligand clusters for Q18DH8: Bacteriorhodopsin-I from Haloquadratum walsbyi (strain DSM 16790 / HBSQ001)

		Top 6 (of 9) ligand clusters Cluster 1. 3 ligand types 14 ligands Cluster 2. 2 ligand types 2 ligands Cluster 3. 1 ligand type 1 ligand Cluster 4. 1 ligand type 3 ligands Cluster 5. 1 ligand type 1 ligand Cluster 6. 1 ligand type 5 ligands
Representative protein: 4qi1A

Structures

PDB		Schematic diagram
4qi1A
5iteA
5kkhA
5itcA
4qidA

Cluster 1 contains 3 ligand types

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Ligand		Description
		1. Ligand: OLB × 6 (2s)-2,3-Dihydroxypropyl (9z)-Octadec-9-Enoate PDB codes: 5itc(A), 5ite(A), 5kkh(A).
		2. Ligand: OLC × 5 (2r)-2,3-Dihydroxypropyl (9z)-Octadec-9-Enoate PDB codes: 5ite(A), 5kkh(A),
		3. Ligand: MPG × 3 [(Z)-Octadec-9-Enyl] (2r)-2,3-Bis(oxidanyl)propanoate PDB codes: 4qi1(A),

Cluster 2 contains 2 ligand types

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Ligand		Description
		1. Ligand: MPG × 1 [(Z)-Octadec-9-Enyl] (2r)-2,3-Bis(oxidanyl)propanoate PDB code: 4qi1(A).
		2. Ligand: OLC × 1 (2r)-2,3-Dihydroxypropyl (9z)-Octadec-9-Enoate PDB code: 5itc(A).

Cluster 3 contains 1 ligand type

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Ligand		Description
		1. Ligand: OLC × 1 (2r)-2,3-Dihydroxypropyl (9z)-Octadec-9-Enoate PDB code: 5itc(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: OLB × 3 (2s)-2,3-Dihydroxypropyl (9z)-Octadec-9-Enoate PDB codes: 5itc(A), 5ite(A), 5kkh(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: MPG × 1 [(Z)-Octadec-9-Enyl] (2r)-2,3-Bis(oxidanyl)propanoate PDB code: 4qi1(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: RET × 5 Retinal PDB codes: 4qi1(A), 4qid(A), 5itc(A), 5ite(A), 5kkh(A).