MolNFT v1 · #75077 · protein
Crystal structure of pfl from E.COLI in complex with substrate analogue oxamate
3PFL · Protein (formate acetyltransferase 1): “Crystal structure of pfl from E.COLI in complex with substrate analogue oxamate”. X-ray diffraction, 1 ligand (OXM), 11 pockets (best druggability 0.87). MolNFT v1 #75077 on GenesisL1: 3D…
- PDB
- 3PFL
- Type
- protein
- Length
- 1,518 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein (formate acetyltransferase 1)
- EC
- 2.3.1.54
- UniProt
- P09373
- Ligands
- OXM
- Pockets
- 11 · best druggability 0.87
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Protein (formate acetyltransferase 1) (EC 2.3.1.54) | protein | 759 | 47% helix, 12% strand | P09373 |
Ligands and binding sites
- OXM · Oxamic acid · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 783 | 0.87 | 0.90 | 72 | empty |
| 2 | 94 | 0.75 | 0.97 | 29 | empty |
| 3 | 105 | 0.73 | 0.95 | 29 | empty |
| 4 | 60 | 0.68 | 0.95 | 24 | empty |
| 5 | 89 | 0.42 | 0.78 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 2058 Ų buried · 25 hydrogen bonds · protein-protein
Compared structures
- 3PFL · Crystal structure of pfl from E.COLI in complex with substrate analogue 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 3PFL · PDBe 3PFL · UniProt P09373
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