MolNFT v1 · #80527 · protein
Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase (FABG)(G92A) from vibrio cholerae
3TZK · 3-oxoacyl-[acyl-carrier protein] reductase: “Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase (FABG)(G92A) from vibrio cholerae”. X-ray diffraction, 2 ligands (UNX, SO4), 2 pockets (best druggability 0.70). MolNFT v1…
- PDB
- 3TZK
- Type
- protein
- Length
- 494 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
- C3NP04
- Ligands
- UNX, SO4
- Pockets
- 2 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 52% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | 3-oxoacyl-[acyl-carrier protein] reductase (EC 1.1.1.100) | protein | 247 | 52% helix, 16% strand | C3NP04 |
Ligands and binding sites
- UNX · Unknown atom or ion · ion · 12 copies · chains A, B
- SO4 · Sulfate ion · ion · 7 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 503 | 0.70 | 0.80 | 48 | SO4, UNX |
| 2 | 537 | 0.67 | 0.78 | 47 | UNX |
Interfaces
1 interface between chains.
- A–B · 1773 Ų buried · 19 hydrogen bonds · protein-protein
Compared structures
- 3TZK · Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase (FabG)(G92A) from Vibrio… · 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 C3NP04
- Elsewhere: RCSB PDB 3TZK · PDBe 3TZK · UniProt C3NP04
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