Ligand clusters for UniProt code Q9UHI8

Ligand clusters for Q9UHI8: A disintegrin and metalloproteinase with thrombospondin motifs 1 from Homo sapiens

		Top 6 (of 17) ligand clusters Cluster 1. 4 ligand types 7 ligands Cluster 2. 2 ligand types 8 ligands Cluster 3. 2 ligand types 8 ligands Cluster 4. 2 ligand types 4 ligands Cluster 5. 1 ligand type 3 ligands Cluster 6. 1 ligand type 4 ligands
Representative protein: 2jihA

Structures

PDB		Schematic diagram
2jihA
3q2gA
2v4bA
3q2hA

Cluster 1 contains 4 ligand types

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Ligand		Description
_Zn		1. Metal: _ZN × 4 PDB codes: 2jih(A), 2v4b(A), 3q2g(A), 3q2h(A).
		2. Ligand: 097 × 1 (2s,3r)-N~4~-[(1s)-2,2-Dimethyl-1-(Methylcarbamoyl) propyl]-N~1~,2-Dihydroxy-3-(2- Methylpropyl) butanediamide PDB code: 2jih(A).
		3. Ligand: QGF × 1 N-[(2s,4s)-1-({4-[(2,4-Dichlorobenzyl)oxy]piperidin-1- Yl}sulfonyl)-4-(5-Fluoropyrimidin-2-Yl)-2- Methylpentan-2-Yl]-N-Hydroxyformamide PDB code: 3q2g(A).
		4. Ligand: QHF × 1 N-[(2s,4s)-1-({4-[2-(3,5-Dimethyl-1,2-Oxazol-4-Yl) ethyl]piperidin-1-Yl}sulfonyl)-4-(5- Fluoropyrimidin-2- Yl)-2-Methylpentan-2-Yl]-N-Hydroxyformamide PDB code: 3q2h(A).

Cluster 2 contains 2 ligand types

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Ligand		Description
_Cd		1. Metal: _CD × 6 PDB codes: 2jih(A), 2v4b(A), 3q2g(A), 3q2h(A).
_Ni		2. Metal: _NI × 2 PDB codes: 2v4b(A), 3q2h(A).

Cluster 3 contains 2 ligand types

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Ligand		Description
_Cd		1. Metal: _CD × 4 PDB codes: 2jih(A), 2v4b(A), 3q2g(A), 3q2h(A).
_Ni		2. Metal: _NI × 4 PDB codes: 2jih(A), 2v4b(A), 3q2g(A), 3q2h(A).

Cluster 4 contains 2 ligand types

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Ligand		Description
_Ni		1. Metal: _NI × 3 PDB codes: 2v4b(A), 3q2g(A), 3q2h(A).
_Cd		2. Metal: _CD × 1 PDB code: 2jih(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
_Mg		1. Metal: _MG × 3 PDB codes: 2jih(A), 2v4b(A), 3q2h(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
_Ni		1. Metal: _NI × 4 PDB codes: 2jih(A), 2v4b(A), 3q2g(A), 3q2h(A).