Research workbench
Crystal structure of haemophilus influenzae biotin carboxylase complexed with 7-((1R,5S,6S)-6-amino-3-AZABICYCLO[3.1.0]HEXAN-3-yl)- 6-(2-chloro-6-(pyridin-3-YL)PHENYL)PYRIDO[2,3-D]PYRIMIDIN-2-amine
Analyse Crystal structure of haemophilus influenzae biotin carboxylase complexed with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6OI8
- Type
- protein
- Length
- 440 residues
- Chains
- 1
- 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
- P43873
- Ligands
- MQV
- Pockets
- 1 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 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 | 440 | 36% helix, 25% strand | P43873 |
Ligands and binding sites
- MQV · 7-[(1R,5S,6s)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-[2-chloro-6-(pyridin-3-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine · ligand · chains A
- EDO · 1,2-ethanediol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 650 | 0.70 | 0.78 | 63 | MQV |
Compared structures
- 6OI8 · Crystal Structure of Haemophilus Influenzae Biotin Carboxylase Complexed with… · the same entry in another collection · chain A against A, TM-score 1.00
- P43873 · AlphaFold monomer V2.0 prediction for biotin carboxylase (P43873) · a predicted model of the same protein · chain A 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 P43873
- Elsewhere: RCSB PDB 6OI8 · PDBe 6OI8 · UniProt P43873
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