MolNFT v1 · #175712 · protein
Crystal structure of apo-fabg from vibrio harveyi
7CZC · 3-oxoacyl-acp reductase fabg: “Crystal structure of apo-fabg from vibrio harveyi”. X-ray diffraction, 8 pockets (best druggability 0.80). MolNFT v1 #175712 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7CZC
- Type
- protein
- Length
- 951 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-oxoacyl-acp reductase fabg
- UniProt
- K5VE97
- Pockets
- 8 · best druggability 0.80
Structure
x-ray diffraction · 4 distinct chains · 49% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3-oxoacyl-acp reductase fabg | protein | 231 | 48% helix, 17% strand | K5VE97 |
| B | 3-oxoacyl-acp reductase fabg | protein | 241 | 51% helix, 17% strand | K5VE97 |
| C | 3-oxoacyl-acp reductase fabg | protein | 240 | 49% helix, 16% strand | K5VE97 |
| D | 3-oxoacyl-acp reductase fabg | protein | 239 | 49% helix, 17% strand | K5VE97 |
Ligands and binding sites
- PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 564 | 0.80 | 0.86 | 68 | empty |
| 2 | 285 | 0.78 | 0.90 | 41 | empty |
| 3 | 247 | 0.67 | 0.84 | 43 | empty |
| 4 | 116 | 0.63 | 0.88 | 36 | empty |
| 5 | 103 | 0.53 | 0.83 | 29 | empty |
Interfaces
6 interfaces between chains.
- A–B · 1813 Ų buried · 38 hydrogen bonds · protein-protein
- C–D · 1611 Ų buried · 30 hydrogen bonds · protein-protein
- B–D · 1334 Ų buried · 15 hydrogen bonds · protein-protein
- A–C · 1331 Ų buried · 10 hydrogen bonds · protein-protein
- B–C · 100 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 7CZC · Crystal structure of apo-FabG from Vibrio harveyi · 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 K5VE97
- Elsewhere: RCSB PDB 7CZC · PDBe 7CZC · UniProt K5VE97
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