Ligand clusters for UniProt code Q9X024

Ligand clusters for Q9X024: Bifunctional NAD(P)H-hydrate repair enzyme Nnr from Thermotoga maritima (strain ATCC 43589 / MSB8 / DSM 3109 / JCM 10099)

		4 ligand clusters Cluster 1. 14 ligand types 25 ligands Cluster 2. 14 ligand types 31 ligands Cluster 3. 5 ligand types 21 ligands Cluster 4. 1 ligand type 20 ligands
Representative protein: 3rssA

Structures

PDB		Schematic diagram
3rssA
2ax3A
3rsfA
3rs9A
3rtbA
		more ...

Cluster 1 contains 14 ligand types

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Ligand		Description
		1. Ligand: GOL × 7 glycerin Glycerol PDB codes: 2ax3(A), 3rre(A), 3rrf(A), 3rrj(A), 3rs9(A), 3rt7(A), 3rtb(A).
		2. Ligand: NAI × 2 nadh 1,4-Dihydronicotinamide adenine dinucleotide PDB codes: 3rsq(A), 3rtd(A).
		3. Ligand: COA × 2 Coenzyme a PDB codes: 3rt9(A), 3rtg(A).
		4. Ligand: NAD × 2 Nicotinamide-Adenine-Dinucleotide PDB codes: 3rsg(A), 3rtc(A).
		5. Ligand: NAP × 2 Nadp nicotinamide-Adenine-Dinucleotide phosphate PDB codes: 3rss(A), 3rte(A).
		6. Ligand: NDP × 2 Nadph dihydro-Nicotinamide-Adenine-Dinucleotide phosphate PDB codes: 3ru2(A), 3ru3(A).
		7. Ligand: ACO × 1 Acetyl coenzyme A PDB code: 3rta(A).
		8. Ligand: ADP × 1 Adenosine-5'-Diphosphate PDB code: 3rre(A).
		9. Ligand: ADQ × 1 Adenosine-5'-Diphosphate-Glucose PDB code: 3rt7(A).
		10. Ligand: AP5 × 1 Bis(adenosine)-5'-Pentaphosphate PDB code: 3rrj(A).
		11. Ligand: APR × 1 Adenosine-5-Diphosphoribose PDB code: 3rs8(A).
		12. Ligand: ATP × 1 Adenosine-5'-Triphosphate PDB code: 3rrf(A).
		13. Ligand: B4P × 1 Bis(adenosine)-5'-Tetraphosphate PDB code: 3rsf(A).
		14. Ligand: BA3 × 1 Bis(adenosine)-5'-Triphosphate PDB code: 3rs9(A).

Cluster 2 contains 14 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 3rs8(A).
		2. Ligand: ATP × 5 Adenosine-5'-Triphosphate PDB codes: 3rrf(A), 3rtc(A), 3rte(A), 3rtg(A), 3ru3(A).
		3. Ligand: COA × 5 Coenzyme a PDB codes: 3rt9(A), 3rtg(A),
		4. Ligand: ADP × 3 Adenosine-5'-Diphosphate PDB codes: 3rre(A), 3rtd(A).
		5. Ligand: APR × 3 Adenosine-5-Diphosphoribose PDB codes: 3rs8(A), 3rsg(A).
		6. Ligand: ADQ × 2 Adenosine-5'-Diphosphate-Glucose PDB codes: 3rt7(A),
		7. Ligand: AMP × 2 Adenosine monophosphate PDB codes: 3rrb(A),
		8. Ligand: NAD × 2 Nicotinamide-Adenine-Dinucleotide PDB codes: 3rsg(A), 3rtc(A).
		9. Ligand: NAX × 2 Beta-6-Hydroxy-1,4,5,6-Tetrhydronicotinamide adenine dinucleotide PDB codes: 3rsq(A), 3rtd(A).
		10. Ligand: NPW × 2 Beta-6-Hydroxy-1,4,5,6-Tetrahydronicotinamide adenine dinucleotide phosphate PDB codes: 3ru2(A), 3ru3(A).
		11. Ligand: A3P × 1 Adenosine-3'-5'-Diphosphate PDB code: 3rtb(A).
		12. Ligand: ACO × 1 Acetyl coenzyme A PDB code: 3rta(A).
		13. Ligand: BA3 × 1 Bis(adenosine)-5'-Triphosphate PDB code: 3rs9(A).
		14. Ligand: NAP × 1 Nadp nicotinamide-Adenine-Dinucleotide phosphate PDB code: 3rte(A).

Cluster 3 contains 5 ligand types

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Ligand		Description
		1. Ligand: ALA-TRP-LEU-PHE-GLU-ALA × 10 PDB codes: 3rrb(A), 3rrj(A), 3rs8(A), 3rs9(A), 3rsg(A), 3rsq(A), 3rt9(A), 3rtb(A), 3ru2(A), 3ru3(A).
		2. Ligand: ALA-ALA-TRP-LEU-PHE-GLU-ALA × 7 PDB codes: 3rre(A), 3rrf(A), 3rsf(A), 3rt7(A), 3rta(A), 3rtd(A), 3rtg(A).
		3. Ligand: ALA-PRO-ALA-TRP-LEU-PHE-GLU-ALA × 2 PDB codes: 3rss(A), 3rtc(A).
		4. Ligand: PRO-ALA-TRP-LEU-PHE-GLU-ALA × 1 PDB code: 3rte(A).
		5. Ligand: UNK-UNK-TRP-UNK-PHE-HIS-UNK-UNK × 1 PDB code: 2ax3(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
__K		1. Metal: __K × 20 PDB codes: 3rrb(A), 3rre(A), 3rrf(A), 3rrj(A), 3rs8(A), 3rs9(A), 3rsf(A), 3rsg(A), 3rsq(A), 3rss(A), 3rt7(A), 3rt9(A), 3rta(A), 3rtb(A), 3rtc(A), 3rtd(A), 3rte(A), 3rtg(A), 3ru2(A), 3ru3(A).