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The crystal structure of an amidase family protein from bacillus anthracis str. ames
Analyse The crystal structure of an amidase family protein from bacillus anthracis str.… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- 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
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