Research workbench
Mutant of penicillin acylase impaired in catalysis with phenylacetic acid in the active site
Analyse Mutant of penicillin acylase impaired in catalysis with phenylacetic acid in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1FXH
- 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
- PAC, CA
- Pockets
- 10 · best druggability 0.68
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Penicillin acylase (EC 3.5.1.11) | protein | 206 | 62% 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
10 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 59 | 0.68 | 0.96 | 19 | empty |
| 2 | 427 | 0.63 | 0.77 | 47 | PAC |
| 3 | 112 | 0.43 | 0.77 | 21 | empty |
| 4 | 126 | 0.41 | 0.75 | 19 | empty |
| 5 | 84 | 0.39 | 0.77 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 7108 Ų buried · 119 hydrogen bonds · protein-protein
Compared structures
- 1FXH · Mutant of penicillin acylase impaired in catalysis with phenylacetic acid in the active… · 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 1FXH · PDBe 1FXH · UniProt P06875
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