MolNFT v1 · #7123 · protein
Mutant of penicillin acylase impaired in catalysis with phenylacetic acid in the active site
1FXH: “Mutant of penicillin acylase impaired in catalysis with phenylacetic acid in the active site”. X-ray diffraction, 2 ligands (PAC, CA), 10 pockets (best druggability 0.68). MolNFT v1 #7123 on GenesisL1: 3D structure, binding sites…
- 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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