Ligand clusters for UniProt code P39045

Ligand clusters for P39045: D-alanyl-D-alanine carboxypeptidase from Actinomadura sp. (strain R39)

		Top 6 (of 19) ligand clusters Cluster 1. 16 ligand types 22 ligands Cluster 2. 3 ligand types 23 ligands Cluster 3. 2 ligand types 3 ligands Cluster 4. 1 ligand type 1 ligand Cluster 5. 1 ligand type 18 ligands Cluster 6. 1 ligand type 18 ligands
Representative protein: 1w79A

Structures

PDB		Schematic diagram
1w79A
2vgkA
2vgjA
2y55A
4b4zA
		more ...

Cluster 1 contains 16 ligand types

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Ligand		Description
		1. Ligand: SO4 × 7 Sulfate ion PDB codes: 1w79(A), 1w8q(A), 2vgk(A), 2xdm(A), 2y4a(A), 2y59(A), 3zvw(A).
		2. Ligand: ACN × 1 Acetone PDB code: 2y55(A).
		3. Ligand: B07 × 1 2,6 dimethoxybenzamidoboronic acid PDB code: 3zvt(A).
		4. Ligand: BH6 × 1 {[(2-Chlorobenzoyl)amino]methyl}boronic acid PDB code: 2y4a(A).
		5. Ligand: BIY × 1 (3s)-2,2-Dimethyl-3,4-Dihydro-2h-1,4- Thiazine-3,6-Dicarboxylic acid PDB code: 2wke(A).
		6. Ligand: BSF × 1 {[(Benzylsulfonyl)amino]methyl}boronic acid PDB code: 4b4z(A).
		7. Ligand: EWA × 1 [(1s)-1-{[(2,6-Dimethoxyphenyl)carbonyl]amino}ethyl] boronic acid PDB code: 2xln(A).
		8. Ligand: EWB × 1 [(1s)-1-{[(2-Benzylphenyl)carbonyl]amino}ethyl] (trihydroxy)borate(1-) PDB code: 2xk1(A).
		9. Ligand: FP5 × 1 Phenylacetamidomethyl boronic acid PDB code: 2y55(A).
		10. Ligand: HQZ × 1 Trihydroxy{(1s)-1-[(Methylsulfonyl)amino] ethyl}borate(1-) PDB code: 4b4x(A).
		11. Ligand: IM2 × 1 (5r)-5-[(1s,2r)-1-Formyl-2-Hydroxypropyl]-3- [(2-{[(E)-Iminomethyl]amino}ethyl)sulfanyl]-4, 5- Dihydro-1h-Pyrrole-2-Carboxylic acid PDB code: 4ben(A).
		12. Ligand: NCF × 1 (2r)-2-{(1r)-2-Oxo-1-[(2-Thienylacetyl)amino] ethyl}-5,6-Dihydro-2h-1,3-Thiazine-4- Carboxylic acid PDB code: 1w8y(A).
		13. Ligand: REC × 1 Cephalosporin PDB code: 2vgj(A).
		14. Ligand: REZ × 1 (2r)-2-Amino-7-{[(1r)-1-Carboxyethyl]amino}- 7-Oxoheptanoic acid PDB code: 2vgk(A).
		15. Ligand: TFR × 1 (2r)-2-Amino-7-Oxo-7-{[(2r,3s)-4,4,4-Trifluoro -3-Hydroxybutan-2-Yl]amino}heptanoic acid PDB code: 3zcz(A).
		16. Ligand: ZA3 × 1 Trihydroxy-[[(2-Nitrophenyl)carbonylamino]methyl]boron PDB code: 2y59(A).

Cluster 2 contains 3 ligand types

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Ligand		Description
_Mg		1. Metal: _MG × 1 PDB code: 3zcz(A).
		2. Ligand: SO4 × 20 Sulfate ion PDB codes: 1w8q(A), 1w8y(A), 2vgj(A), 2vgk(A), 2xdm(A), 2xk1(A), 2xln(A), 2y4a(A), 2y55(A), 2y59(A), 3zcz(A), 3zvt(A), 3zvw(A), 4b4x(A), 4b4z(A), 4ben(A),
_Co		3. Metal: _CO × 2 PDB codes: 1w8q(A), 2wke(A).

Cluster 3 contains 2 ligand types

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Ligand		Description
		1. Ligand: SO4 × 2 Sulfate ion PDB codes: 2wke(A), 4b4x(A).
_Co		2. Metal: _CO × 1 PDB code: 1w8q(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 4ben(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: SO4 × 18 Sulfate ion PDB codes: 1w79(A), 1w8q(A), 1w8y(A), 2vgj(A), 2vgk(A), 2wke(A), 2xdm(A), 2xk1(A), 2xln(A), 2y4a(A), 2y55(A), 2y59(A), 3zcz(A), 3zvt(A), 3zvw(A), 4b4x(A), 4b4z(A), 4ben(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: SO4 × 18 Sulfate ion PDB codes: 1w79(A), 1w8q(A), 1w8y(A), 2vgj(A), 2vgk(A), 2wke(A), 2xdm(A), 2xk1(A), 2xln(A), 2y4a(A), 2y55(A), 2y59(A), 3zcz(A), 3zvt(A), 3zvw(A), 4b4x(A), 4b4z(A), 4ben(A).