Ligand clusters for UniProt code P9WPY3

Ligand clusters for P9WPY3: Shikimate kinase from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)

		Top 6 (of 20) ligand clusters Cluster 1. 15 ligand types 48 ligands Cluster 2. 3 ligand types 4 ligands Cluster 3. 1 ligand type 1 ligand Cluster 4. 1 ligand type 3 ligands Cluster 5. 1 ligand type 3 ligands Cluster 6. 1 ligand type 2 ligands
Representative protein: 2iyvA

Structures

PDB		Schematic diagram
2iyvA
2dftA
3bafA
1we2A
1l4uA
		more ...

Cluster 1 contains 15 ligand types

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Ligand		Description
		1. Ligand: ADP × 11 Adenosine-5'-Diphosphate PDB codes: 1l4u(A), 1l4y(A), 1u8a(A), 1we2(A), 2dfn(A), 2dft(A), 2iyq(A), 2iyu(A), 2iyv(A), 2iyz(A).
		2. Ligand: SKM × 8 (3r,4s,5r)-3,4,5-Trihydroxycyclohex-1-Ene-1-Carboxylic acid PDB codes: 1u8a(A), 1zyu(A), 2dfn(A), 2g1k(A), 2iyq(A), 2iyr(A), 2iys(A), 2iyx(A).
		3. Ligand: S3P × 2 Shikimate-3-Phosphate PDB codes: 2iyy(A), 2iyz(A).
		4. Ligand: ATP × 1 Adenosine-5'-Triphosphate PDB code: 2iyw(A).
_Mg		5. Metal: _MG × 6 PDB codes: 1l4u(A), 1l4y(A), 1we2(A), 2dft(A), 2iyw(A).
		6. Ligand: TRS × 1 tromethamine 2-Amino-2-Hydroxymethyl-Propane-1,3-Diol PDB code: 2iyq(A).
		7. Ligand: DHK × 1 3-Dehydroshikimate PDB code: 1we2(A).
		8. Ligand: ACP × 1 Phosphomethylphosphonic acid adenylate ester PDB code: 1zyu(A).
		9. Ligand: PO4 × 1 Phosphate ion PDB code: 2iyy(A).
		10. Ligand: ADP × 1 Adenosine-5'-Diphosphate PDB code: 4bqs(A).
		11. Ligand: SKM × 1 (3r,4s,5r)-3,4,5-Trihydroxycyclohex-1-Ene-1-Carboxylic acid PDB code: 3baf(A).
		12. Ligand: SO4 × 6 Sulfate ion PDB codes: 2g1j(A), 2g1k(A), 2iyx(A), 2iyy(A),
_Cl		13. Metal: _CL × 6 PDB codes: 1l4u(A), 1l4y(A), 1we2(A), 2dfn(A), 2dft(A),
		14. Ligand: ANP × 1 Phosphoaminophosphonic acid-Adenylate ester PDB code: 3baf(A).
		15. Ligand: K2Q × 1 (1r,6r,10s)-6,10-Dihydroxy-2-Oxabicyclo[4.3.1]deca- 4(z),7-Diene-8-Carboxylic acid PDB code: 4bqs(A).

Cluster 2 contains 3 ligand types

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Ligand		Description
		1. Ligand: EPE × 1 4-(2-Hydroxyethyl)-1-Piperazine ethanesulfonic acid PDB code: 1l4u(A).
_Cl		2. Metal: _CL × 2 PDB codes: 1l4u(A),
_Pt		3. Metal: _PT × 1 PDB code: 1l4u(A).

Cluster 3 contains 1 ligand type

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Ligand		Description
		1. Ligand: SO4 × 1 Sulfate ion PDB code: 2g1j(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: SO4 × 3 Sulfate ion PDB codes: 2g1k(A), 2iyx(A), 2iyy(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: SO4 × 3 Sulfate ion PDB codes: 2g1k(A), 2iyx(A), 2iyy(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: SO4 × 2 Sulfate ion PDB codes: 2iyx(A), 2iyy(A).