MolNFT v1 · #30913 · protein
Crystal structures of glutaryl 7-aminocephalosporanic acid acylase: mutational study of activation mechanism
2ADV · Glutaryl 7- aminocephalosporanic acid acylase: “Crystal structures of glutaryl 7-aminocephalosporanic acid acylase: mutational study of activation mechanism”. X-ray diffraction, 5 pockets (best druggability 0.71). MolNFT v1 #30913…
- PDB
- 2ADV
- Type
- protein
- Length
- 683 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutaryl 7- aminocephalosporanic acid acylase
- EC
- 3.5.1.11
- UniProt
- P07662
- Pockets
- 5 · best druggability 0.71
Structure
x-ray diffraction · 3 distinct chains · 34% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutaryl 7- aminocephalosporanic acid acylase (EC 3.5.1.11) | protein | 161 | 65% helix, 5% strand | P07662 |
| B | Glutaryl 7- aminocephalosporanic acid acylase (EC 3.5.1.11) | protein | 28 | 11% helix, 50% strand | — |
| C | Glutaryl 7- aminocephalosporanic acid acylase (EC 3.5.1.11) | protein | 494 | 26% helix, 28% strand | — |
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 858 | 0.71 | 0.76 | 107 | empty |
| 2 | 161 | 0.52 | 0.79 | 26 | empty |
| 3 | 63 | 0.36 | 0.78 | 18 | empty |
| 4 | 87 | 0.35 | 0.75 | 18 | empty |
| 5 | 100 | 0.35 | 0.74 | 26 | empty |
Interfaces
3 interfaces between chains.
- A–C · 4209 Ų buried · 57 hydrogen bonds · protein-protein
- B–C · 2002 Ų buried · 46 hydrogen bonds · protein-protein
- A–B · 71 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 2ADV · Crystal Structures Of Glutaryl 7-Aminocephalosporanic Acid Acylase: mutational study of… · the same entry in another collection · chain B against B, TM-score 1.00
- P07662 · AlphaFold monomer V2.0 prediction for glutaryl-7-aminocephalosporanic-acid acylase… · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P07662
- Elsewhere: RCSB PDB 2ADV · PDBe 2ADV · UniProt P07662
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