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Crystal structures of glutaryl 7-aminocephalosporanic acid acylase: insight into autoproteolytic activation
Analyse Crystal structures of glutaryl 7-aminocephalosporanic acid acylase: insight… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1OR0
- Type
- protein
- Length
- 1,347 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutaryl 7-aminocephalosporanic acid acylase; Glutaryl acylase
- EC
- 3.5.1.-
- UniProt
- Q84I62
- Pockets
- 12 · best druggability 0.64
Structure
x-ray diffraction · 3 distinct chains · 41% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutaryl 7-aminocephalosporanic acid acylase (EC 3.5.1.-) | protein | 153 | 69% helix, 6% strand | Q84I62 |
| B, D | Glutaryl acylase (EC 3.5.1.-) | protein | 521 | 25% helix, 28% strand | Q84I62 |
| C | Glutaryl 7-aminocephalosporanic acid acylase (EC 3.5.1.-) | protein | 152 | 69% helix, 6% strand | Q84I62 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 2 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 438 | 0.64 | 0.77 | 70 | EDO |
| 2 | 365 | 0.58 | 0.76 | 61 | empty |
| 3 | 189 | 0.51 | 0.77 | 31 | empty |
| 4 | 164 | 0.51 | 0.78 | 31 | empty |
| 5 | 134 | 0.40 | 0.74 | 22 | empty |
Interfaces
4 interfaces between chains.
- A–B · 4061 Ų buried · 56 hydrogen bonds · protein-protein
- C–D · 4037 Ų buried · 50 hydrogen bonds · protein-protein
- B–D · 243 Ų buried · 2 hydrogen bonds · protein-protein
- B–C · 198 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 24 modified (engineered).
Compared structures
- 1OR0 · Crystal Structures of Glutaryl 7-Aminocephalosporanic Acid Acylase: Insight into… · 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 Q84I62
- Elsewhere: RCSB PDB 1OR0 · PDBe 1OR0 · UniProt Q84I62
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