MolNFT v1 · #168739 · protein
Crystal structure of a putative 3-oxoacyl-acp reductase (fabg) with NADP(H) from acinetobacter baumannii
6WPR · 3-oxoacyl-[acyl-carrier-protein] reductase: “Crystal structure of a putative 3-oxoacyl-acp reductase (fabg) with NADP(H) from acinetobacter baumannii”. X-ray diffraction, 1 ligand (NDP), 3 pockets (best druggability 0.67). MolNFT v1…
- PDB
- 6WPR
- Type
- protein
- Length
- 479 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-oxoacyl-[acyl-carrier-protein] reductase
- EC
- 1.1.1.100
- UniProt
- V5VHN7
- Ligands
- NDP
- Pockets
- 3 · best druggability 0.67
Structure
x-ray diffraction · 2 distinct chains · 52% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3-oxoacyl-[acyl-carrier-protein] reductase (EC 1.1.1.100) | protein | 244 | 52% helix, 17% strand | V5VHN7 |
| B | 3-oxoacyl-[acyl-carrier-protein] reductase (EC 1.1.1.100) | protein | 235 | 52% helix, 17% strand | V5VHN7 |
Ligands and binding sites
- NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 540 | 0.67 | 0.77 | 46 | NDP |
| 2 | 472 | 0.61 | 0.75 | 45 | NDP |
| 3 | 119 | 0.39 | 0.75 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 1576 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 6WPR · Crystal structure of a putative 3-oxoacyl-ACP reductase (FabG) with NADP(H) from… · the same entry in another collection · 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 V5VHN7
- Elsewhere: RCSB PDB 6WPR · PDBe 6WPR · UniProt V5VHN7
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