Research workbench
Glutaryl 7-aminocephalosporanic acid acylase: mutational study of activation mechanism
Analyse Glutaryl 7-aminocephalosporanic acid acylase: mutational study of activation… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2AE3
- Type
- protein
- Length
- 681 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutaryl 7-aminocephalosporanic acid acylase
- EC
- 3.5.1.11
- Pockets
- 5 · best druggability 0.72
Structure
x-ray diffraction · 2 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 | 159 | 64% helix, 5% strand | — |
| B | Glutaryl 7-aminocephalosporanic acid acylase (EC 3.5.1.11) | protein | 522 | 25% helix, 28% strand | — |
Ligands and binding sites
- GOL · Glycerol · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 | 945 | 0.72 | 0.76 | 103 | GOL |
| 2 | 161 | 0.52 | 0.79 | 26 | empty |
| 3 | 75 | 0.37 | 0.78 | 20 | empty |
| 4 | 76 | 0.34 | 0.75 | 16 | empty |
| 5 | 72 | 0.29 | 0.73 | 27 | empty |
Interfaces
1 interface between chains.
- A–B · 4142 Ų buried · 55 hydrogen bonds · protein-protein
Compared structures
- 2AE3 · Glutaryl 7-Aminocephalosporanic Acid Acylase: mutational study of activation mechanism · 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 2AE3 · PDBe 2AE3
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