Research workbench
Penicillin acylase mutant impaired in catalysis with penicillin G in the active site
Analyse Penicillin acylase mutant impaired in catalysis with penicillin G in the active… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1FXV
- Type
- protein
- Length
- 763 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Penicillin acylase
- EC
- 3.5.1.11
- UniProt
- P06875
- Ligands
- PNN, CA
- Pockets
- 9 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Penicillin acylase (EC 3.5.1.11) | protein | 206 | 61% helix, 6% strand | P06875 |
| B | Penicillin acylase (EC 3.5.1.11) | protein | 557 | 26% helix, 27% strand | P06875 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 64 | 0.69 | 0.95 | 20 | empty |
| 2 | 594 | 0.67 | 0.77 | 69 | PNN |
| 3 | 118 | 0.44 | 0.77 | 20 | empty |
| 4 | 136 | 0.43 | 0.76 | 23 | empty |
| 5 | 74 | 0.35 | 0.76 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 7105 Ų buried · 124 hydrogen bonds · protein-protein
Compared structures
- 1FXV · Penicillin acylase mutant impaired in catalysis with penicillin G in the active site · the same entry in another collection · chain A against A, TM-score 1.00
- P06875 · AlphaFold monomer V2.0 prediction for penicillin G acylase (P06875) · a predicted model of the same protein · chain B 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 P06875
- Elsewhere: RCSB PDB 1FXV · PDBe 1FXV · UniProt P06875
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