Research workbench
Crystal structure of a putative chromate reductase from gluconacetobacter hansenii, gh-chrr, containing a Y129N substitution.
Analyse Crystal structure of a putative chromate reductase from gluconacetobacter… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4HS4
- Type
- protein
- Length
- 1,472 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chromate reductase
- UniProt
- D5QFC5
- Ligands
- FMN
- Pockets
- 13 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H | Chromate reductase | protein | 184 | 43% helix, 18% strand | D5QFC5 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · 3 copies · chains B, C, D, G, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 978 | 0.76 | 0.78 | 121 | empty |
| 2 | 192 | 0.73 | 0.89 | 34 | empty |
| 3 | 734 | 0.71 | 0.77 | 64 | FMN |
| 4 | 794 | 0.70 | 0.76 | 83 | empty |
| 5 | 131 | 0.55 | 0.83 | 26 | empty |
Interfaces
9 interfaces between chains.
- G–H · 1378 Ų buried · 21 hydrogen bonds · protein-protein
- C–D · 1367 Ų buried · 21 hydrogen bonds · protein-protein
- C–E · 684 Ų buried · 10 hydrogen bonds · protein-protein
- B–C · 450 Ų buried · 3 hydrogen bonds · protein-protein
- D–E · 330 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 4HS4 · Crystal structure of a putative chromate reductase from Gluconacetobacter hansenii… · the same entry in another collection · chain G against G, 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 D5QFC5
- Elsewhere: RCSB PDB 4HS4 · PDBe 4HS4 · UniProt D5QFC5
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