MolNFT v1 · #74380 · protein
Crystal structure of biotin carboxylase-ADP complex from campylobacter jejuni
3OUZ: “Crystal structure of biotin carboxylase-ADP complex from campylobacter jejuni”. X-ray diffraction, 4 ligands (ADP, SRT, MLT), 8 pockets (best druggability 0.80). MolNFT v1 #74380 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 3OUZ
- Type
- protein
- Length
- 888 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Biotin carboxylase
- EC
- 6.3.4.14, 6.4.1.2
- UniProt
- Q0P8W7
- Ligands
- ADP, SRT, MLT, MG
- Pockets
- 8 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Biotin carboxylase (EC 6.3.4.14, 6.4.1.2) | protein | 445 | 36% helix, 26% strand | Q0P8W7 |
| B | Biotin carboxylase (EC 6.3.4.14, 6.4.1.2) | protein | 443 | 34% helix, 26% strand | Q0P8W7 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A, B
- SRT · S,R meso-tartaric acid · ligand · chains A
- MLT · D-malate · ligand · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- GOL · Glycerol · additive · 13 copies · chains A, B
- FMT · Formic acid · additive · 5 copies · chains A, B
- TLA · L(+)-tartaric acid · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 135 | 0.80 | 0.97 | 34 | empty |
| 2 | 891 | 0.77 | 0.80 | 66 | ADP, MG, TLA, FMT |
| 3 | 902 | 0.77 | 0.80 | 68 | ADP, MG, SRT, FMT |
| 4 | 429 | 0.69 | 0.81 | 45 | FMT, MLT |
| 5 | 62 | 0.46 | 0.84 | 14 | GOL |
Interfaces
1 interface between chains.
- A–B · 1432 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 36 modified (engineered).
Compared structures
- 3OUZ · Crystal Structure of Biotin Carboxylase-ADP complex from Campylobacter jejuni · 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 Q0P8W7
- Elsewhere: RCSB PDB 3OUZ · PDBe 3OUZ · UniProt Q0P8W7
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.