Research workbench
Crystal structure of biotin carboxylase in complex with biotin, bicarbonate, ADP and mg ion
Analyse Crystal structure of biotin carboxylase in complex with biotin, bicarbonate… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3G8C
- 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
- P24182
- Ligands
- ADP, BTN, BCT, MG
- Pockets
- 5 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Biotin carboxylase (EC 6.3.4.14, 6.4.1.2) | protein | 444 | 35% helix, 27% strand | P24182 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A, B
- BTN · Biotin · ligand · 2 copies · chains A, B
- BCT · Bicarbonate ion · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, 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 | 823 | 0.76 | 0.80 | 76 | ADP, MG, BTN, BCT |
| 2 | 348 | 0.74 | 0.86 | 49 | empty |
| 3 | 665 | 0.74 | 0.80 | 66 | ADP, MG, BTN, BCT |
| 4 | 59 | 0.65 | 0.95 | 24 | empty |
| 5 | 73 | 0.47 | 0.83 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 1431 Ų buried · 19 hydrogen bonds · protein-protein
Compared structures
- 3G8C · Crystal Structure of Biotin Carboxylase in Complex with Biotin, Bicarbonate, ADP and Mg… · the same entry in another collection · chain A against A, TM-score 1.00
- P24182 · AlphaFold monomer V2.0 prediction for biotin carboxylase (P24182) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 P24182
- Elsewhere: RCSB PDB 3G8C · PDBe 3G8C · UniProt P24182
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