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Crystal structure of bfra from M. tuberculosis
Analyse Crystal structure of bfra from M. tuberculosis in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2WTL
- Type
- protein
- Length
- 966 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bacterioferritin
- UniProt
- P63697
- Ligands
- UNL, FE, UNX
- Pockets
- 12 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 76% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F | Bacterioferritin | protein | 161 | 76% helix, 0% strand | P63697 |
Ligands and binding sites
- UNL · Unknown ligand · ligand · 3 copies · chains A, B, C, D, E, F
- FE · Fe (III) ion · metal · 12 copies · chains A, B, C, D, E, F
- UNX · Unknown atom or ion · ion · 3 copies · chains A, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 221 | 0.76 | 0.90 | 27 | UNL |
| 2 | 222 | 0.75 | 0.90 | 29 | UNL |
| 3 | 219 | 0.75 | 0.90 | 29 | UNL |
| 4 | 141 | 0.47 | 0.77 | 19 | empty |
| 5 | 81 | 0.45 | 0.81 | 19 | empty |
Interfaces
8 interfaces between chains.
- E–F · 1144 Ų buried · 14 hydrogen bonds · protein-protein
- A–B · 1101 Ų buried · 16 hydrogen bonds · protein-protein
- C–D · 1094 Ų buried · 16 hydrogen bonds · protein-protein
- B–C · 813 Ų buried · 5 hydrogen bonds · protein-protein
- C–F · 811 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 24 modified (engineered).
Compared structures
- 2WTL · Crystal structure of BfrA from M. tuberculosis · 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 P63697
- Elsewhere: RCSB PDB 2WTL · PDBe 2WTL · UniProt P63697
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