MolNFT v1 · #78234 · protein
Crystal structure of a CHROMATE/URANIUM reductase from gluconacetobacter hansenii
3S2Y · Chromate reductase: “Crystal structure of a CHROMATE/URANIUM reductase from gluconacetobacter hansenii”. X-ray diffraction, 2 ligands (FMN, CL), 9 pockets (best druggability 0.54). MolNFT v1 #78234 on GenesisL1: 3D structure…
- PDB
- 3S2Y
- Type
- protein
- Length
- 729 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chromate reductase
- UniProt
- D5QFC5
- Ligands
- FMN, CL
- Pockets
- 9 · best druggability 0.54
Structure
x-ray diffraction · 3 distinct chains · 43% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Chromate reductase | protein | 184 | 43% helix, 18% strand | D5QFC5 |
| B, D | Chromate reductase | protein | 182 | 43% helix, 19% strand | D5QFC5 |
| C | Chromate reductase | protein | 181 | 43% helix, 19% strand | D5QFC5 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · 4 copies · chains A, B, C, D
- CL · Chloride ion · ion · 3 copies · chains B, C
- PG4 · Tetraethylene glycol · additive · chains B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 190 | 0.54 | 0.79 | 26 | FMN |
| 2 | 175 | 0.51 | 0.78 | 26 | FMN |
| 3 | 191 | 0.49 | 0.76 | 34 | empty |
| 4 | 120 | 0.40 | 0.76 | 30 | empty |
| 5 | 111 | 0.37 | 0.74 | 16 | empty |
Interfaces
3 interfaces between chains.
- B–C · 1456 Ų buried · 24 hydrogen bonds · protein-protein
- A–B · 333 Ų buried · 0 hydrogen bonds · protein-protein
- C–D · 320 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 3S2Y · Crystal structure of a chromate/uranium reductase from Gluconacetobacter hansenii · 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 D5QFC5
- Elsewhere: RCSB PDB 3S2Y · PDBe 3S2Y · UniProt D5QFC5
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