Ligand clusters for UniProt code P00780

Ligand clusters for P00780: Subtilisin Carlsberg OS=Bacillus licheniformis GN=apr PE=1 SV=1

		Top 6 (of 35) ligand clusters Cluster 1. 5 ligand types 9 ligands Cluster 2. 5 ligand types 18 ligands Cluster 3. 3 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: 6dwqA

Structures

PDB		Schematic diagram
6dwqA
1oyvA
3vsbA
2secE
1bfuA
		more ...

Cluster 1 contains 5 ligand types

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Ligand		Description
		1. Ligand: DIO × 3 1,4-Diethylene dioxide PDB codes: 1af4(A), 1bfu(A).
		2. Ligand: TCA × 2 Phenylethylenecarboxylic acid PDB codes: 1be6(A), 1be8(A).
_Cl		3. Metal: _CL × 2 PDB codes: 2wuv(A), 4c3u(A).
		4. Ligand: 0EF × 1 N-(Tert-Butoxycarbonyl)-L-Alanyl-N-[(1r)-1- (Carboxyamino)-2-Phenylethyl]-L-Prolinamide PDB code: 1scn(E).
_Ca		5. Metal: _CA × 1 PDB code: 6dwq(A).

Cluster 2 contains 5 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 3unx(A).
_Na		2. Metal: _NA × 10 PDB codes: 1av7(A), 1avt(A), 1sca(A), 1scn(E), 2wuv(A), 2wuw(E), 3unx(A), 3vsb(A), 4c3u(A), 4c3v(A).
_Ca		3. Metal: _CA × 5 PDB codes: 1c3l(A), 1r0r(E), 1scd(A), 1sel(A), 2sec(E).
		4. Ligand: EDO × 1 1,2-Ethanediol PDB code: 6dwq(A).
_Cl		5. Metal: _CL × 1 PDB code: 4c3u(A).

Cluster 3 contains 3 ligand types

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Ligand		Description
		1. Ligand: SO4 × 2 Sulfate ion PDB codes: 2wuw(E), 4c3v(A).
		2. Ligand: DIO × 1 1,4-Diethylene dioxide PDB code: 1af4(A).
_Cl		3. Metal: _CL × 1 PDB code: 2wuv(A).

Cluster 4 contains 2 ligand types

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Ligand		Description
		1. Ligand: EDO × 1 1,2-Ethanediol PDB code: 6dwq(A).
		2. Ligand: SO4 × 1 Sulfate ion PDB code: 4c3v(A).

Cluster 5 contains 2 ligand types

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Ligand		Description
		1. Ligand: EDO × 1 1,2-Ethanediol PDB code: 6dwq(A).
		2. Ligand: NO3 × 1 Nitrate ion PDB code: 6dwq(A).

Cluster 6 contains 2 ligand types

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Ligand		Description
		1. Ligand: DIO × 1 1,4-Diethylene dioxide PDB code: 1af4(A).
_Ca		2. Metal: _CA × 1 PDB code: 3unx(A).