Research workbench
Crystal structure of the iron-dependent regulator (ider) from mycobacterium tuberculosis
Analyse Crystal structure of the iron-dependent regulator (ider) from mycobacterium… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1FX7
- Type
- protein
- Length
- 890 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Iron-dependent repressor ider
- UniProt
- P0A672
- Ligands
- CO, SO4
- Pockets
- 6 · best druggability 0.54
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Iron-dependent repressor ider | protein | 230 | 46% helix, 16% strand | P0A672 |
| B, C, D | Iron-dependent repressor ider | protein | 220 | 47% helix, 16% strand | P0A672 |
Ligands and binding sites
- CO · Cobalt (II) ion · metal · 13 copies · chains A, B, C, D
- SO4 · Sulfate ion · ion · 17 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 169 | 0.54 | 0.80 | 34 | SO4 |
| 2 | 183 | 0.51 | 0.77 | 24 | empty |
| 3 | 198 | 0.49 | 0.76 | 28 | empty |
| 4 | 166 | 0.48 | 0.76 | 21 | empty |
| 5 | 158 | 0.46 | 0.76 | 22 | empty |
Interfaces
3 interfaces between chains.
- C–D · 967 Ų buried · 17 hydrogen bonds · protein-protein
- A–B · 958 Ų buried · 14 hydrogen bonds · protein-protein
- B–C · 392 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 1FX7 · Crystal structure of the iron-dependent regulator (ider) from mycobacterium 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 P0A672
- Elsewhere: RCSB PDB 1FX7 · PDBe 1FX7 · UniProt P0A672
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