MolNFT v1 · #101943 · protein
Crystal structure of a 3-oxoacyl-[acyl-carrier protein] reductase (ec 1.1.1.100) from brucella suis
4O6V · Oxidoreductase, short-chain DEHYDROGENASE/REDUCTASE family: “Crystal structure of a 3-oxoacyl-[acyl-carrier protein] reductase (ec 1.1.1.100) from brucella suis”. X-ray diffraction, 10 pockets (best druggability 0.85). MolNFT v1…
- PDB
- 4O6V
- Type
- protein
- Length
- 928 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Oxidoreductase, short-chain DEHYDROGENASE/REDUCTASE family
- EC
- 1.1.1.100
- UniProt
- B0CL43
- Pockets
- 10 · best druggability 0.85
Structure
x-ray diffraction · 3 distinct chains · 47% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Oxidoreductase, short-chain DEHYDROGENASE/REDUCTASE family (EC 1.1.1.100) | protein | 229 | 47% helix, 17% strand | B0CL43 |
| B, D | Oxidoreductase, short-chain DEHYDROGENASE/REDUCTASE family (EC 1.1.1.100) | protein | 232 | 47% helix, 17% strand | B0CL43 |
| C | Oxidoreductase, short-chain DEHYDROGENASE/REDUCTASE family (EC 1.1.1.100) | protein | 235 | 46% helix, 17% strand | B0CL43 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 423 | 0.85 | 0.93 | 47 | GOL |
| 2 | 261 | 0.68 | 0.84 | 43 | empty |
| 3 | 293 | 0.68 | 0.83 | 41 | empty |
| 4 | 300 | 0.66 | 0.82 | 43 | empty |
| 5 | 251 | 0.56 | 0.78 | 35 | empty |
Interfaces
6 interfaces between chains.
- A–B · 1664 Ų buried · 27 hydrogen bonds · protein-protein
- C–D · 1655 Ų buried · 20 hydrogen bonds · protein-protein
- A–D · 1470 Ų buried · 22 hydrogen bonds · protein-protein
- B–C · 1452 Ų buried · 19 hydrogen bonds · protein-protein
- A–C · 285 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 4O6V · Crystal Structure of a 3-oxoacyl-[acyl-carrier protein] reductase (EC 1.1.1.100) 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 B0CL43
- Elsewhere: RCSB PDB 4O6V · PDBe 4O6V · UniProt B0CL43
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