Research workbench
Crystal structure of mccflike protein (BA_5613) from bacillus anthracis str. ames
Analyse Crystal structure of mccflike protein (BA_5613) 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
- 4E5S
- Type
- protein
- Length
- 1,317 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mccflike protein (BA_5613)
- EC
- 3.4.21.-
- UniProt
- Q81JT5
- Pockets
- 13 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, D | Mccflike protein (BA_5613) (EC 3.4.21.-) | protein | 329 | 34% helix, 23% strand | Q81JT5 |
| C | Mccflike protein (BA_5613) (EC 3.4.21.-) | protein | 330 | 34% helix, 25% strand | Q81JT5 |
Ligands and binding sites
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 882 | 0.79 | 0.81 | 93 | empty |
| 2 | 906 | 0.79 | 0.81 | 90 | empty |
| 3 | 85 | 0.58 | 0.87 | 21 | empty |
| 4 | 87 | 0.57 | 0.87 | 21 | empty |
| 5 | 84 | 0.56 | 0.86 | 21 | empty |
Interfaces
3 interfaces between chains.
- C–D · 1938 Ų buried · 38 hydrogen bonds · protein-protein
- A–B · 1903 Ų buried · 37 hydrogen bonds · protein-protein
- A–C · 580 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 28 modified (engineered).
Compared structures
- 4E5S · Crystal structure of MccFlike protein (BA_5613) from Bacillus anthracis str. Ames · 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
- Every structure of UniProt Q81JT5
- Elsewhere: RCSB PDB 4E5S · PDBe 4E5S · UniProt Q81JT5
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