Attributes
UniProt ID
Protein Name
2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase
Ligand Name
(1~{R},2~{S},5~{S},6~{S})-2-[(1~{S})-1-[3-[(4-azanylidene-2-methyl-1~{H}-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl (phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3-ium-2-yl]-1,4-bis(oxidanyl)-4-oxidanylidene-butyl]-6-oxidanyl-5-(3-oxid anyl-3-oxidanylidene-prop-1-en-2-yl)oxy-cyclohex-3-ene-1-carboxylic acid
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
AJVZCJMDQDMTBE-BLORIJLWSA-O
SMILES
Cc1c(sc([n+]1CC2=CNC(=NC2=N)C)C(CCC(=O)O)(C3C=CC(C(C3C(=O)O)O)OC(=C)C(=O)O)O)CCOP(=O)(O)OP(=O)(O)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 5ESU
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Color Legend
Unassigned regionsLigand / hetero atomse5esuA2e5esuA3e5esuA4e5esuB1e5esuB2e5esuB3e5esuC1e5esuC3e5esuC4e5esuD1e5esuD2e5esuD3
ECOD domains from experimental PDB structures interacting with ligand TOI
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P9WK11 | n/a | TOI | 5esu | e5esuA2 | A:1-203 |
| P9WK11 | n/a | TOI | 5esu | e5esuA3 | A:348-554 |
| P9WK11 | n/a | TOI | 5esu | e5esuB1 | B:1-203 |
| P9WK11 | n/a | TOI | 5esu | e5esuC3 | C:348-554 |
| P9WK11 | n/a | TOI | 5esu | e5esuC4 | C:210-347 |
| P9WK11 | n/a | TOI | 5esu | e5esuD2 | D:348-554 |
| P9WK11 | n/a | TOI | 5esu | e5esuD3 | D:210-347 |
| P9WK11 | n/a | TOI | 6o04 | e6o04A2 | A:348-554 |
| P9WK11 | n/a | TOI | 6o04 | e6o04A3 | A:1-209 |
| P9WK11 | n/a | TOI | 6o04 | e6o04B3 | B:1-209 |
| P9WK11 | n/a | TOI | 6o04 | e6o04C1 | C:348-554 |
| P9WK11 | n/a | TOI | 6o04 | e6o04C2 | C:208-347 |
| P9WK11 | n/a | TOI | 6o04 | e6o04D1 | D:208-347 |
| P9WK11 | n/a | TOI | 6o04 | e6o04D3 | D:348-554 |