MolNFT v1 · #47164 · protein
Crystal structure of penicillin V acylase from bacillus subtilis
2OQC: “Crystal structure of penicillin V acylase from bacillus subtilis”. X-ray diffraction, 11 pockets (best druggability 0.81). MolNFT v1 #47164 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2OQC
- Type
- protein
- Length
- 634 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Penicillin V acylase
- EC
- 3.5.1.11
- UniProt
- Q2HPP6
- Pockets
- 11 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 21% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Penicillin V acylase (EC 3.5.1.11) | protein | 317 | 21% helix, 33% strand | Q2HPP6 |
Pockets
11 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 159 | 0.81 | 0.97 | 29 | empty |
| 2 | 354 | 0.74 | 0.85 | 53 | empty |
| 3 | 113 | 0.47 | 0.79 | 19 | empty |
| 4 | 182 | 0.45 | 0.74 | 28 | empty |
| 5 | 97 | 0.41 | 0.77 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 378 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 2OQC · Crystal Structure of Penicillin V acylase from Bacillus subtilis · the same entry in another collection · chain A 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 Q2HPP6
- Elsewhere: RCSB PDB 2OQC · PDBe 2OQC · UniProt Q2HPP6
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