MolNFT v1 · #106459 · protein
Structural analysis of substrate, reaction intermediate and product binding in haemophilus influenzae biotin carboxylase
4RZQ: “Structural analysis of substrate, reaction intermediate and product binding in haemophilus influenzae biotin…”. X-ray diffraction, 2 ligands (Y7Y, ADP), 1 pocket (best druggability 0.67). MolNFT v1 #106459 on GenesisL1: 3D…
- PDB
- 4RZQ
- Type
- protein
- Length
- 422 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
- Y7Y, ADP
- Pockets
- 1 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Biotin carboxylase (EC 6.3.4.14, 6.4.1.2) | protein | 422 | 36% helix, 27% strand | P43873 |
Ligands and binding sites
- Y7Y · methyl (3aS,4S,6aR)-4-(5-methoxy-5-oxopentyl)-2-oxohexahydro-1H-thieno[3,4-d]imidazole-1-carboxylate · ligand · chains A
- ADP · Adenosine-5'-diphosphate · ligand · 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 | 578 | 0.67 | 0.77 | 59 | Y7Y, ADP |
Compared structures
- 4RZQ · Structural Analysis of Substrate, Reaction Intermediate and Product Binding in… · 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 0.98
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 4RZQ · PDBe 4RZQ · UniProt P43873
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