MolNFT v1 · #3345 · protein
Crystal structure of penicillin G acylase from the BRO1 mutant strain of providencia rettgeri
1CP9 · Penicillin G amidase: “Crystal structure of penicillin G acylase from the BRO1 mutant strain of providencia rettgeri”. X-ray diffraction, 2 ligands (CA, SO4), 7 pockets (best druggability 0.65). MolNFT v1 #3345 on GenesisL1: 3D…
- PDB
- 1CP9
- Type
- protein
- Length
- 750 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Penicillin G amidase
- UniProt
- Q7WZI9
- Ligands
- CA, SO4
- Pockets
- 7 · best druggability 0.65
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Penicillin G amidase | protein | 197 | 66% helix, 7% strand | Q7WZI9 |
| B | Penicillin G amidase | protein | 553 | 25% helix, 28% strand | Q7WZI9 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 150 | 0.65 | 0.87 | 28 | empty |
| 2 | 503 | 0.60 | 0.75 | 47 | empty |
| 3 | 173 | 0.46 | 0.75 | 20 | empty |
| 4 | 118 | 0.42 | 0.76 | 22 | empty |
| 5 | 82 | 0.33 | 0.74 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 7020 Ų buried · 119 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 modified (cyclization).
Compared structures
- 1CP9 · Crystal structure of penicillin G acylase from the BRO1 mutant strain of providencia… · 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 Q7WZI9
- Elsewhere: RCSB PDB 1CP9 · PDBe 1CP9 · UniProt Q7WZI9
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