Research workbench
Crystal structure of an engineered variant of single-chain penicillin G acylase from kluyvera cryocrescens (global hydrolysis RD3CHIS)
Analyse Crystal structure of an engineered variant of single-chain penicillin G acylase… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7REO
- Type
- protein
- Length
- 755 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Penicillin G acylase
- Ligands
- CA
- Pockets
- 5 · best druggability 0.63
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Penicillin G acylase | protein | 755 | 35% helix, 22% strand | — |
Ligands and binding sites
- CA · Calcium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 531 | 0.63 | 0.75 | 49 | empty |
| 2 | 164 | 0.58 | 0.82 | 41 | empty |
| 3 | 182 | 0.57 | 0.80 | 27 | empty |
| 4 | 104 | 0.39 | 0.75 | 18 | empty |
| 5 | 52 | 0.30 | 0.75 | 15 | empty |
Compared structures
- 7REO · Crystal structure of an engineered variant of single-chain Penicillin G Acylase from… · 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
- Elsewhere: RCSB PDB 7REO · PDBe 7REO
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