Ligand clusters for UniProt code Q9X1X7

Ligand clusters for Q9X1X7: Quinolinate synthase A from Thermotoga maritima (strain ATCC 43589 / MSB8 / DSM 3109 / JCM 10099)

		Top 6 (of 10) ligand clusters Cluster 1. 16 ligand types 22 ligands Cluster 2. 4 ligand types 4 ligands Cluster 3. 2 ligand types 4 ligands Cluster 4. 1 ligand type 1 ligand Cluster 5. 1 ligand type 1 ligand Cluster 6. 2 ligand types 2 ligands
Representative protein: 4p3xA

Structures

PDB		Schematic diagram
4p3xA
6f4dA
6g74A
5f35A
5lqmA
		more ...

Cluster 1 contains 16 ligand types

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Ligand		Description
_Fe		1. Metal: _FE × 3 PDB codes: 6i0r(A),
		2. Ligand: SF4 × 3 Iron/sulfur cluster PDB codes: 4p3x(A), 6f4l(A), 6g74(A).
		3. Ligand: SF4-FLC × 2 SF4=Iron/sulfur cluster, FLC=Citrate anion. PDB codes: 5f35(A), 5lqm(A).
		4. Ligand: SF4-PGH × 2 SF4=Iron/sulfur cluster, PGH=Phosphoglycolohydroxamic acid. PDB codes: 5f33(A), 6f4d(A).
		5. Ligand: NTM × 1 Quinolinic acid PDB code: 6f4l(A).
		6. Ligand: PHT × 1 Phthalic acid PDB code: 6g74(A).
		7. Ligand: PO4 × 1 Phosphate ion PDB code: 6f4d(A).
		8. Ligand: QAT × 1 5-Mercaptopyridine-2,3-Dicarboxylic acid PDB code: 6i0r(A).
		9. Ligand: SF4-5UK × 1 SF4=Iron/sulfur cluster, 5UK=2-Imino,3-Carboxy,5-Oxo,6-Hydroxy hexanoic acid. PDB code: 5f3d(A).
		10. Ligand: SF4-GZ8 × 1 SF4=Iron/sulfur cluster, GZ8=4-Mercaptoidenecyclohexa-2,5-Diene-1,2-Dicarboxylic acid. PDB code: 6i0k(A).
		11. Ligand: SF4-NTM × 1 SF4=Iron/sulfur cluster, NTM=Quinolinic acid. PDB code: 5lqs(A).
		12. Ligand: SF4-QAS × 1 SF4=Iron/sulfur cluster, QAS=6-Mercaptopyridine-2,3-Dicarboxylic acid. PDB code: 6i0p(A).
		13. Ligand: SF4-XQB × 1 SF4=Iron/sulfur cluster, XQB=2-Imino,3-Carboxy,5-Hydroxy,6-Oxo hexanoic acid. PDB code: 6f48(A).
		14. Ligand: SO4 × 1 Sulfate ion PDB code: 5f33(A).
		15. Ligand: YQA × 1 5-Hydroxy,-4,5-Dihydroquinolinate PDB code: 6f48(A).
_Cl		16. Metal: _CL × 1 PDB code: 5lqs(A).

Cluster 2 contains 4 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 6f48(A).
_Mg		2. Metal: _MG × 1 PDB code: 5f35(A).
		3. Ligand: NHE × 1 2-[N-Cyclohexylamino]ethane sulfonic acid PDB code: 6f4l(A).
_Cl		4. Metal: _CL × 1 PDB code: 6f48(A).

Cluster 3 contains 2 ligand types

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Ligand		Description
		1. Ligand: PO4 × 2 Phosphate ion PDB codes: 6f4d(A), 6i0p(A).
		2. Ligand: SO4 × 2 Sulfate ion PDB codes: 5f33(A), 5f3d(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: MPD × 1 (4s)-2-Methyl-2,4-Pentanediol PDB code: 4p3x(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: MPD × 1 (4s)-2-Methyl-2,4-Pentanediol PDB code: 4p3x(A).

Cluster 6 contains 2 ligand types

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Ligand		Description
_Zn		1. Metal: _ZN × 1 PDB code: 4p3x(A).
		2. Ligand: PO4 × 1 Phosphate ion PDB code: 6i0k(A).