MolNFT v1 · #120290 · protein
Structure of fabk (M276A) mutant from thermotoga maritima
5GVJ · Enoyl-[acyl-carrier-protein] reductase [FMN]: “Structure of fabk (M276A) mutant from thermotoga maritima”. X-ray diffraction, 1 ligand (NA), 6 pockets (best druggability 0.75). MolNFT v1 #120290 on GenesisL1: 3D structure, binding…
- PDB
- 5GVJ
- Type
- protein
- Length
- 591 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Enoyl-[acyl-carrier-protein] reductase [FMN]
- EC
- 1.3.1.9
- UniProt
- Q9WZQ7
- Ligands
- NA
- Pockets
- 6 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Enoyl-[acyl-carrier-protein] reductase [FMN] (EC 1.3.1.9) | protein | 294 | 44% helix, 16% strand | Q9WZQ7 |
| B | Enoyl-[acyl-carrier-protein] reductase [FMN] (EC 1.3.1.9) | protein | 297 | 44% helix, 16% strand | Q9WZQ7 |
Ligands and binding sites
- NA · Sodium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 528 | 0.75 | 0.83 | 71 | empty |
| 2 | 588 | 0.74 | 0.82 | 85 | empty |
| 3 | 435 | 0.65 | 0.78 | 37 | empty |
| 4 | 68 | 0.34 | 0.76 | 17 | empty |
| 5 | 79 | 0.33 | 0.74 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 382 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 5GVJ · Structure of FabK (M276A) mutant from Thermotoga maritima · 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 Q9WZQ7
- Elsewhere: RCSB PDB 5GVJ · PDBe 5GVJ · UniProt Q9WZQ7
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