MolNFT v1 · #8451 · protein
Pyruvate formate-lyase (E.COLI) in complex with CoA and the substrate analog oxamate
1H17 · Formate acetyltransferase 1: “Pyruvate formate-lyase (E.COLI) in complex with CoA and the substrate analog oxamate”. X-ray diffraction, 5 ligands (DTL, COA, OXM), 6 pockets (best druggability 0.65). MolNFT v1 #8451 on GenesisL1: 3D…
- PDB
- 1H17
- Type
- protein
- Length
- 759 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Formate acetyltransferase 1
- EC
- 2.3.1.54
- UniProt
- P09373
- Ligands
- DTL, COA, OXM, NA, MG
- Pockets
- 6 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 48% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Formate acetyltransferase 1 (EC 2.3.1.54) | protein | 759 | 48% helix, 13% strand | P09373 |
Ligands and binding sites
- DTL · L-treitol · ligand · 2 copies · chains A
- COA · Coenzyme A · ligand · chains A
- OXM · Oxamic acid · ligand · chains A
- NA · Sodium ion · metal · 7 copies · chains A
- MG · Magnesium ion · metal · chains A
- PG4 · Tetraethylene glycol · additive · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 74 | 0.65 | 0.92 | 19 | DTL |
| 2 | 106 | 0.65 | 0.89 | 34 | empty |
| 3 | 196 | 0.51 | 0.77 | 25 | empty |
| 4 | 101 | 0.39 | 0.76 | 22 | empty |
| 5 | 74 | 0.35 | 0.76 | 20 | empty |
Compared structures
- 1H17 · Pyruvate Formate-Lyase (E.coli) in complex with CoA and the substrate analog oxamate · the same entry in another collection · chain A against A, TM-score 1.00
- P09373 · AlphaFold monomer V2.0 prediction for formate acetyltransferase 1 (P09373) · a predicted model of the same protein · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P09373
- Elsewhere: RCSB PDB 1H17 · PDBe 1H17 · UniProt P09373
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