MolNFT v1 · #78428 · protein
Crystal structures of glutaryl 7-aminocephalosporanic acid acylase: insight into autoproteolytic activation
3S8R · Glutaryl-7-aminocephalosporanic-acid acylase: “Crystal structures of glutaryl 7-aminocephalosporanic acid acylase: insight into autoproteolytic activation”. X-ray diffraction, 13 pockets (best druggability 0.67). MolNFT v1 #78428 on…
- PDB
- 3S8R
- Type
- protein
- Length
- 1,370 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutaryl-7-aminocephalosporanic-acid acylase
- EC
- 3.5.1.93
- UniProt
- P07662
- Pockets
- 13 · best druggability 0.67
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutaryl-7-aminocephalosporanic-acid acylase (EC 3.5.1.93) | protein | 684 | 35% helix, 23% strand | P07662 |
| B | Glutaryl-7-aminocephalosporanic-acid acylase (EC 3.5.1.93) | protein | 686 | 35% helix, 23% strand | P07662 |
Ligands and binding sites
- GOL · Glycerol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 580 | 0.67 | 0.77 | 65 | empty |
| 2 | 543 | 0.66 | 0.77 | 67 | empty |
| 3 | 185 | 0.52 | 0.78 | 32 | empty |
| 4 | 141 | 0.49 | 0.79 | 25 | empty |
| 5 | 137 | 0.46 | 0.77 | 21 | GOL |
Interfaces
1 interface between chains.
- A–B · 445 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 3S8R · Crystal Structures of Glutaryl 7-Aminocephalosporanic Acid Acylase: Insight into… · the same entry in another collection · chain A against A, 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 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 P07662
- Elsewhere: RCSB PDB 3S8R · PDBe 3S8R · UniProt P07662
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