MolNFT v1 · #118262 · protein
The crystal structure of an amidase family protein from bacillus anthracis str. ames
5EWQ: “The crystal structure of an amidase family protein from bacillus anthracis str. ames”. X-ray diffraction, 17 pockets (best druggability 0.62). MolNFT v1 #118262 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5EWQ
- Type
- protein
- Length
- 1,511 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Amidase
- EC
- 3.5.1.4
- UniProt
- Q81RW6
- Pockets
- 17 · best druggability 0.62
Structure
x-ray diffraction · 3 distinct chains · 38% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Amidase (EC 3.5.1.4) | protein | 505 | 37% helix, 13% strand | Q81RW6 |
| B | Amidase (EC 3.5.1.4) | protein | 504 | 40% helix, 13% strand | Q81RW6 |
| C | Amidase (EC 3.5.1.4) | protein | 502 | 38% helix, 13% strand | Q81RW6 |
Ligands and binding sites
- ACT · Acetate ion · additive · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 624 | 0.62 | 0.74 | 49 | empty |
| 2 | 173 | 0.55 | 0.80 | 33 | empty |
| 3 | 194 | 0.55 | 0.79 | 37 | empty |
| 4 | 220 | 0.53 | 0.77 | 42 | empty |
| 5 | 249 | 0.51 | 0.75 | 32 | empty |
Interfaces
2 interfaces between chains.
- B–C · 476 Ų buried · 8 hydrogen bonds · protein-protein
- A–B · 76 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 30 modified (engineered).
Compared structures
- 5EWQ · The crystal structure of an amidase family protein from Bacillus anthracis str. Ames · the same entry in another collection · chain B against B, 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 Q81RW6
- Elsewhere: RCSB PDB 5EWQ · PDBe 5EWQ · UniProt Q81RW6
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.