MolNFT v1 · #8492 · protein
Altered substrate specificity mutant of penicillin acylase
1H2G · Penicillin G acylase alpha subunit: “Altered substrate specificity mutant of penicillin acylase”. X-ray diffraction, 1 ligand (CA), 11 pockets (best druggability 0.69). MolNFT v1 #8492 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1H2G
- Type
- protein
- Length
- 762 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Penicillin G acylase alpha subunit; Penicillin G acylase beta subunit
- EC
- 3.5.1.11
- UniProt
- P06875
- Ligands
- CA
- Pockets
- 11 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Penicillin G acylase alpha subunit (EC 3.5.1.11) | protein | 205 | 62% helix, 7% strand | P06875 |
| B | Penicillin G acylase beta subunit (EC 3.5.1.11) | protein | 557 | 25% helix, 27% strand | P06875 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 55 | 0.69 | 0.96 | 31 | empty |
| 2 | 65 | 0.69 | 0.95 | 18 | empty |
| 3 | 660 | 0.67 | 0.76 | 77 | EDO |
| 4 | 143 | 0.44 | 0.76 | 21 | EDO |
| 5 | 113 | 0.43 | 0.77 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 7063 Ų buried · 126 hydrogen bonds · protein-protein
Compared structures
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 1H2G · PDBe 1H2G · UniProt P06875
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