Research workbench
Crystal structure of rhodoferax fermentans high potential iron-sulfur protein refined to 1.45 a
Analyse Crystal structure of rhodoferax fermentans high potential iron-sulfur protein… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1HLQ
- Type
- protein
- Length
- 223 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- High-potential iron-sulfur protein
- UniProt
- P80882
- Ligands
- SF4, SO4
- Pockets
- 2 · best druggability 0.74
Structure
x-ray diffraction · 3 distinct chains · 17% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | High-potential iron-sulfur protein | protein | 75 | 15% helix, 11% strand | P80882 |
| B | High-potential iron-sulfur protein | protein | 74 | 15% helix, 14% strand | P80882 |
| C | High-potential iron-sulfur protein | protein | 74 | 20% helix, 14% strand | P80882 |
Ligands and binding sites
- SF4 · Iron/sulfur cluster · ligand · 3 copies · chains A, B, C
- SO4 · Sulfate ion · ion · 5 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 154 | 0.74 | 0.91 | 27 | empty |
| 2 | 145 | 0.59 | 0.84 | 39 | empty |
Interfaces
3 interfaces between chains.
- A–B · 752 Ų buried · 10 hydrogen bonds · protein-protein
- A–C · 282 Ų buried · 2 hydrogen bonds · protein-protein
- B–C · 269 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 1HLQ · Crystal structure of rhodoferax fermentans high potential iron-sulfur protein refined to… · the same entry in another collection · chain A against A, TM-score 1.00
- P80882 · AlphaFold monomer V2.0 prediction for high-potential iron-sulfur protein (P80882) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P80882
- Elsewhere: RCSB PDB 1HLQ · PDBe 1HLQ · UniProt P80882
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