Ligand clusters for UniProt code Q9WYT0

Ligand clusters for Q9WYT0: Flavin-dependent thymidylate synthase from Thermotoga maritima (strain ATCC 43589 / MSB8 / DSM 3109 / JCM 10099)

		5 ligand clusters Cluster 1. 15 ligand types 116 ligands Cluster 2. 1 ligand type 1 ligand Cluster 3. 1 ligand type 1 ligand Cluster 4. 2 ligand types 4 ligands Cluster 5. 1 ligand type 1 ligand
Representative protein: 1o26A

Structures

PDB		Schematic diagram
1o26A
1o28A
1o27A
1o29A
3n0bA
		more ...

Cluster 1 contains 15 ligand types

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Ligand		Description
		1. Ligand: UMP × 4 2'-Deoxyuridine 5'-Monophosphate PDB codes: 1o25(A), 1o26(A),
		2. Ligand: FAD × 63 flavin adenine dinucleotide Flavin-Adenine dinucleotide PDB codes: 1kq4(A), 1o26(A), 1o27(A), 1o29(A), 1o2a(A), 1o2b(A), 3g4a(A), 3g4c(A), 3n0b(A), 3n0c(A), 4gt9(A), 4gta(A), 4gtb(A), 4gtc(A), 4gtd(A), 4gte(A), 4gtf(A), 4gtl(A), 4kar(A), 5chp(A), 5ioq(A), 5ior(A), 5ios(A), 5iot(A), 5jfe(A).
		3. Ligand: FFO × 1 levoleucovorin N-[4-({[(6s)-2-Amino-5-Formyl-4-Oxo-3,4,5,6,7,8- Hexahydropteridin-6-Yl]methyl}amino)benzoyl]-L- Glutamic acid PDB code: 4gta(A).
		4. Ligand: UFP × 4 5-Fluoro-2'-Deoxyuridine-5'-Monophosphate PDB codes: 1o28(A), 1o29(A),
		5. Ligand: BRU × 2 5-Bromo-2'-Deoxyuridine-5'-Monophosphate PDB codes: 1o27(A),
		6. Ligand: PO4 × 2 Phosphate ion PDB codes: 1o2b(A),
		7. Ligand: EPE × 2 4-(2-Hydroxyethyl)-1-Piperazine ethanesulfonic acid PDB codes: 1o28(A),
		8. Ligand: UMP × 18 2'-Deoxyuridine 5'-Monophosphate PDB codes: 3g4a(A), 3g4c(A), 3n0b(A), 3n0c(A), 4gt9(A), 4gta(A), 4gtb(A), 4gtd(A), 4gtf(A), 5ios(A), 5iot(A),
		9. Ligand: PGE × 11 Triethylene glycol PDB codes: 1o26(A), 1o28(A), 5ioq(A),
		10. Ligand: MEF × 3 N-({4-[(6ar)-3-Amino-1-Oxo-1,2,5,6,6a,7- Hexahydroimidazo[1,5-F]pteridin-8(9h)- Yl]phenyl}carbonyl)-L-Glutamic acid PDB codes: 4gt9(A), 4gte(A), 4gtf(A).
		11. Ligand: DUR × 2 2'-Deoxyuridine PDB codes: 5ioq(A),
		12. Ligand: 51Q × 1 (2s)-2-[(3-Hydroxy-5-Oxo-4,5-Dihydro-1,2,4-Triazin-6- Yl)sulfanyl]propanoic acid PDB code: 5chp(A).
		13. Ligand: DUS × 1 2'-Deoxy-5'-O-Sulfouridine PDB code: 5ior(A).
		14. Ligand: PEG × 1 Di(hydroxyethyl)ether PDB code: 4gt9(A).
		15. Ligand: UMC × 1 2'-Deoxy-5'-Uridylic acid PDB code: 5jfe(A).

Cluster 2 contains 1 ligand type

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Ligand		Description
		1. Ligand: MEF × 1 N-({4-[(6ar)-3-Amino-1-Oxo-1,2,5,6,6a,7- Hexahydroimidazo[1,5-F]pteridin-8(9h)- Yl]phenyl}carbonyl)-L-Glutamic acid PDB code: 4gt9(A).

Cluster 3 contains 1 ligand type

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Ligand		Description
		1. Ligand: PGE × 1 Triethylene glycol PDB code: 5ioq(A).

Cluster 4 contains 2 ligand types

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Ligand		Description
_Cl		1. Metal: _CL × 3 PDB codes: 4gt9(A), 4gta(A), 4gtf(A).
		2. Ligand: EDO × 1 1,2-Ethanediol PDB code: 5jfe(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: EDO × 1 1,2-Ethanediol PDB code: 5jfe(A).