MolNFT v1 · #52633 · protein
Crystal structure of biotin carboxylase from E. COLI in complex with amino-oxazole fragment series
2W6M: “Crystal structure of biotin carboxylase from E. COLI in complex with amino-oxazole fragment series”. X-ray diffraction, 2 ligands (OA1, CL), 6 pockets (best druggability 0.76). MolNFT v1 #52633 on GenesisL1: 3D structure, binding…
- PDB
- 2W6M
- Type
- protein
- Length
- 891 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
- OA1, CL
- Pockets
- 6 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Biotin carboxylase (EC 6.3.4.14, 6.4.1.2) | protein | 446 | 37% helix, 28% strand | P24182 |
| B | Biotin carboxylase (EC 6.3.4.14, 6.4.1.2) | protein | 445 | 37% helix, 27% strand | P24182 |
Ligands and binding sites
- OA1 · (2-amino-1,3-oxazol-5-yl)-(3-bromophenyl)methanone · ligand · 2 copies · chains A, B
- CL · Chloride ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 253 | 0.76 | 0.89 | 42 | empty |
| 2 | 725 | 0.75 | 0.80 | 74 | OA1, CL |
| 3 | 656 | 0.73 | 0.79 | 63 | OA1, CL |
| 4 | 62 | 0.37 | 0.78 | 12 | empty |
| 5 | 65 | 0.37 | 0.78 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 1428 Ų buried · 21 hydrogen bonds · protein-protein
Compared structures
- 2W6M · Crystal structure of Biotin carboxylase from E. coli in complex with amino-oxazole… · 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 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 P24182
- Elsewhere: RCSB PDB 2W6M · PDBe 2W6M · UniProt P24182
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.