MolNFT v1 · #37894 · protein
Structure of E. COLI FABF(K335A) mutant with covalently linked dodecanoic acid
2GFY · 3-oxoacyl-[acyl-carrier-protein] synthase 2: “Structure of E. COLI FABF(K335A) mutant with covalently linked dodecanoic acid”. X-ray diffraction, 1 ligand (DAO), 4 pockets (best druggability 0.70). MolNFT v1 #37894 on GenesisL1: 3D…
- PDB
- 2GFY
- Type
- protein
- Length
- 411 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-oxoacyl-[acyl-carrier-protein] synthase 2
- EC
- 2.3.1.41
- UniProt
- P0AAI5
- Ligands
- DAO
- Pockets
- 4 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3-oxoacyl-[acyl-carrier-protein] synthase 2 (EC 2.3.1.41) | protein | 411 | 37% helix, 22% strand | P0AAI5 |
Ligands and binding sites
- DAO · Lauric acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 187 | 0.70 | 0.88 | 33 | empty |
| 2 | 80 | 0.39 | 0.77 | 15 | DAO |
| 3 | 62 | 0.33 | 0.76 | 15 | empty |
| 4 | 77 | 0.30 | 0.73 | 16 | empty |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 2GFY · Structure of E. coli FabF(K335A) mutant with covalently linked dodecanoic acid · the same entry in another collection · chain A against A, TM-score 1.00
- P0AAI5 · AlphaFold monomer V2.0 prediction for 3-oxoacyl-[acyl-carrier- protein] synthase 2… · 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 P0AAI5
- Elsewhere: RCSB PDB 2GFY · PDBe 2GFY · UniProt P0AAI5
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