Ligand clusters for UniProt code P9WI55

Ligand clusters for P9WI55: Inorganic pyrophosphatase from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)

		5 ligand clusters Cluster 1. 3 ligand types 3 ligands Cluster 2. 8 ligand types 20 ligands Cluster 3. 1 ligand type 1 ligand Cluster 4. 1 ligand type 1 ligand Cluster 5. 4 ligand types 6 ligands
Representative protein: 1wcfA

Structures

PDB		Schematic diagram
1wcfA
5kdeA
4z72A
2uxsA
4z73A
		more ...

Cluster 1 contains 3 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 1sxv(A).
		2. Ligand: 6RT × 1 2,4-Bis(aziridin-1-Yl)-6-(1-Phenylpyrrol-2-Yl)-1,3,5- Triazine PDB code: 5kde(A).
		3. Ligand: 6RU × 1 ~{N}2,~{N}2,~{N}4,~{N}4-Tetramethyl-6-(1-Phenylpyrrol- 2-Yl)-1,3,5-Triazine-2,4-Diamine PDB code: 5kdf(A).

Cluster 2 contains 8 ligand types

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Ligand		Description
		1. Ligand: PO4 × 1 Phosphate ion PDB code: 1wcf(A).
_Mn		2. Metal: _MN × 2 PDB codes: 4z73(A),
_Mg		3. Metal: _MG × 1 PDB code: 4z71(A).
__K		4. Metal: __K × 1 PDB code: 1wcf(A).
		5. Ligand: SO4 × 1 Sulfate ion PDB code: 1sxv(A).
_Ca		6. Metal: _CA × 7 PDB codes: 4z70(A), 4z72(A), 4z74(A), 5kdf(A).
		7. Ligand: PO4 × 4 Phosphate ion PDB codes: 2uxs(A), 4z72(A), 4z73(A).
		8. Ligand: POP × 3 Pyrophosphate 2- PDB codes: 4z74(A), 5kde(A), 5kdf(A).

Cluster 3 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 1sxv(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 1sxv(A).

Cluster 5 contains 4 ligand types

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Ligand		Description
_Mg		1. Metal: _MG × 1 PDB code: 4z71(A).
_Mn		2. Metal: _MN × 1 PDB code: 4z73(A).
__K		3. Metal: __K × 1 PDB code: 1wcf(A).
_Ca		4. Metal: _CA × 3 PDB codes: 4z72(A), 4z74(A), 5kdf(A).