Research workbench
Crystal structure of biotin carboxylase from E. COLI in complex with 5-methyl-6-phenyl-quinazoline-2,4-diamine
Analyse Crystal structure of biotin carboxylase from E. COLI in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2W6P
- Type
- protein
- Length
- 833 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acetyl-CoA carboxylase
- EC
- 6.3.4.14, 6.4.1.2
- UniProt
- P24182
- Ligands
- OA4
- Pockets
- 4 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acetyl-CoA carboxylase (EC 6.3.4.14, 6.4.1.2) | protein | 446 | 37% helix, 28% strand | P24182 |
| B | Acetyl-CoA carboxylase (EC 6.3.4.14, 6.4.1.2) | protein | 387 | 35% helix, 28% strand | P24182 |
Ligands and binding sites
- OA4 · 5-methyl-6-phenylquinazoline-2,4-diamine · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1077 | 0.85 | 0.86 | 121 | OA4 |
| 2 | 421 | 0.64 | 0.78 | 49 | empty |
| 3 | 76 | 0.52 | 0.85 | 16 | empty |
| 4 | 59 | 0.31 | 0.75 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 783 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
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 2W6P · PDBe 2W6P · UniProt P24182
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