MolNFT v1 · #80520 · protein
Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase (FABG)(Y155F) from vibrio cholerae
3TZC · 3-oxoacyl-[acyl-carrier protein] reductase: “Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase (FABG)(Y155F) from vibrio cholerae”. X-ray diffraction, 2 ligands (NAP, SO4), 8 pockets (best druggability 0.72). MolNFT…
- PDB
- 3TZC
- Type
- protein
- Length
- 886 residues
- Chains
- 4
- 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
- NAP, SO4
- Pockets
- 8 · best druggability 0.72
Structure
x-ray diffraction · 4 distinct chains · 49% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3-oxoacyl-[acyl-carrier protein] reductase (EC 1.1.1.100) | protein | 224 | 47% helix, 17% strand | C3NP04 |
| B | 3-oxoacyl-[acyl-carrier protein] reductase (EC 1.1.1.100) | protein | 218 | 50% helix, 18% strand | C3NP04 |
| C | 3-oxoacyl-[acyl-carrier protein] reductase (EC 1.1.1.100) | protein | 222 | 49% helix, 17% strand | C3NP04 |
| D | 3-oxoacyl-[acyl-carrier protein] reductase (EC 1.1.1.100) | protein | 222 | 50% helix, 18% strand | C3NP04 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
- SO4 · Sulfate ion · ion · 10 copies · chains A, B, D, C
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 | 280 | 0.72 | 0.86 | 33 | SO4 |
| 2 | 212 | 0.67 | 0.85 | 40 | SO4 |
| 3 | 230 | 0.59 | 0.80 | 34 | NAP |
| 4 | 259 | 0.57 | 0.78 | 52 | empty |
| 5 | 303 | 0.53 | 0.75 | 38 | empty |
Interfaces
6 interfaces between chains.
- C–D · 1628 Ų buried · 23 hydrogen bonds · protein-protein
- A–B · 1609 Ų buried · 22 hydrogen bonds · protein-protein
- B–C · 300 Ų buried · 1 hydrogen bond · protein-protein
- A–D · 273 Ų buried · 2 hydrogen bonds · protein-protein
- B–D · 75 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 3TZC · Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase (FabG)(Y155F) 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 C3NP04
- Elsewhere: RCSB PDB 3TZC · PDBe 3TZC · UniProt C3NP04
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.