MolNFT v1 · #114381 · protein
E. COLI fabh with small molecule inhibitor 2
5BNR · 3-oxoacyl-[acyl-carrier-protein] synthase 3: “E. COLI fabh with small molecule inhibitor 2”. X-ray diffraction, 1 ligand (4VL), 2 pockets (best druggability 0.64). MolNFT v1 #114381 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5BNR
- Type
- protein
- Length
- 309 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-oxoacyl-[acyl-carrier-protein] synthase 3
- EC
- 2.3.1.180
- UniProt
- P0A6R0
- Ligands
- 4VL
- Pockets
- 2 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3-oxoacyl-[acyl-carrier-protein] synthase 3 (EC 2.3.1.180) | protein | 309 | 41% helix, 26% strand | P0A6R0 |
Ligands and binding sites
- 4VL · 1-{5-[2-fluoro-5-(hydroxymethyl)phenyl]pyridin-2-yl}piperidine-4-carboxylic acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 166 | 0.64 | 0.85 | 25 | 4VL |
| 2 | 55 | 0.42 | 0.82 | 14 | empty |
Compared structures
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 P0A6R0
- Elsewhere: RCSB PDB 5BNR · PDBe 5BNR · UniProt P0A6R0
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