MolNFT v1 · #52082 · protein
Crystal structure of biotin carboxylase from pseudomonas aeruginosa complexed with ampcp
2VQD: “Crystal structure of biotin carboxylase from pseudomonas aeruginosa complexed with ampcp”. X-ray diffraction, 3 ligands (AP2, MG, SO4), 1 pocket (best druggability 0.75). MolNFT v1 #52082 on GenesisL1: 3D structure, binding sites…
- PDB
- 2VQD
- Type
- protein
- Length
- 447 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Biotin carboxylase
- EC
- 6.3.4.14
- UniProt
- P37798
- Ligands
- AP2, MG, SO4
- Pockets
- 1 · best druggability 0.75
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) | protein | 447 | 36% helix, 27% strand | P37798 |
Ligands and binding sites
- AP2 · Phosphomethylphosphonic acid adenosyl ester · ligand · chains A
- MG · Magnesium ion · metal · chains A
- SO4 · Sulfate ion · ion · 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 | 786 | 0.75 | 0.80 | 68 | AP2, MG, SO4 |
Compared structures
- 2VQD · Crystal Structure of Biotin Carboxylase from Pseudomonas aeruginosa complexed with AMPCP · the same entry in another collection · chain A against A, TM-score 1.00
- P37798 · AlphaFold monomer V2.0 prediction for biotin carboxylase (P37798) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 P37798
- Elsewhere: RCSB PDB 2VQD · PDBe 2VQD · UniProt P37798
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