Research workbench
Crystal structure of biotin carboxylase-beta-gamma-ATP complex from campylobacter jejuni
Analyse Crystal structure of biotin carboxylase-beta-gamma-ATP complex from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3OUU
- Type
- protein
- Length
- 889 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
- ANP, CA
- Pockets
- 5 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Biotin carboxylase (EC 6.3.4.14, 6.4.1.2) | protein | 446 | 36% helix, 26% strand | Q0P8W7 |
| B | Biotin carboxylase (EC 6.3.4.14, 6.4.1.2) | protein | 443 | 36% helix, 25% strand | Q0P8W7 |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · 2 copies · chains A, B
- CA · Calcium ion · metal · 4 copies · chains A, B
- GOL · Glycerol · additive · 4 copies · chains A, B
- CAC · Cacodylate ion · additive · 2 copies · chains A, B
- FMT · Formic acid · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 139 | 0.78 | 0.95 | 33 | empty |
| 2 | 912 | 0.77 | 0.80 | 71 | CA, ANP, CAC |
| 3 | 931 | 0.75 | 0.78 | 68 | CA, ANP, CAC |
| 4 | 503 | 0.71 | 0.81 | 51 | empty |
| 5 | 69 | 0.42 | 0.81 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 1410 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 36 modified (engineered).
Compared structures
- 3OUU · Crystal Structure of Biotin Carboxylase-beta-gamma-ATP 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 3OUU · PDBe 3OUU · UniProt Q0P8W7
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