MolNFT v1 · #100922 · protein
Crystal structure of fabg from cupriavidus taiwanensis
4NBV · 3-oxoacyl-[acyl-carrier-protein] reductase putative short…: “Crystal structure of fabg from cupriavidus taiwanensis”. X-ray diffraction, 5 pockets (best druggability 0.70). MolNFT v1 #100922 on GenesisL1: 3D structure, binding sites…
- PDB
- 4NBV
- Type
- protein
- Length
- 492 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-oxoacyl-[acyl-carrier-protein] reductase putative short- chain…
- EC
- 1.1.1.100
- UniProt
- B3R6T4
- Pockets
- 5 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 50% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | 3-oxoacyl-[acyl-carrier-protein] reductase putative short- chain DEHYDROGENASES/REDUCTASES (sdr) family protein (EC 1.1.1.100) | protein | 246 | 50% helix, 18% strand | B3R6T4 |
Ligands and binding sites
- B3P · 2-[3-(2-hydroxy-1,1-dihydroxymethyl-ethylamino)-propylamino]-2-hydroxymethyl-propane-1,3-diol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 506 | 0.70 | 0.80 | 46 | empty |
| 2 | 555 | 0.70 | 0.79 | 51 | empty |
| 3 | 176 | 0.49 | 0.77 | 23 | empty |
| 4 | 69 | 0.39 | 0.79 | 18 | empty |
| 5 | 52 | 0.37 | 0.81 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1466 Ų buried · 26 hydrogen bonds · protein-protein
Compared structures
- 4NBV · Crystal structure of FabG from Cupriavidus taiwanensis · 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 B3R6T4
- Elsewhere: RCSB PDB 4NBV · PDBe 4NBV · UniProt B3R6T4
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