MolNFT v1 · #128575 · protein
Thermus scotoductus sa-01 ene-reductase double mutant TSER_C25D_I67T
5NUX · Chromate reductase: “Thermus scotoductus sa-01 ene-reductase double mutant TSER_C25D_I67T”. X-ray diffraction, 1 ligand (FMN), 10 pockets (best druggability 0.74). MolNFT v1 #128575 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5NUX
- Type
- protein
- Length
- 1,392 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chromate reductase
- UniProt
- B0JDW3
- Ligands
- FMN
- Pockets
- 10 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Chromate reductase | protein | 348 | 38% helix, 16% strand | B0JDW3 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1097 | 0.74 | 0.77 | 74 | empty |
| 2 | 1033 | 0.74 | 0.77 | 59 | empty |
| 3 | 892 | 0.74 | 0.78 | 58 | empty |
| 4 | 1200 | 0.72 | 0.76 | 75 | empty |
| 5 | 478 | 0.66 | 0.78 | 51 | FMN |
Interfaces
4 interfaces between chains.
- A–D · 373 Ų buried · 6 hydrogen bonds · protein-protein
- B–C · 370 Ų buried · 7 hydrogen bonds · protein-protein
- B–D · 360 Ų buried · 7 hydrogen bonds · protein-protein
- A–C · 290 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 5NUX · Thermus scotoductus SA-01 Ene-reductase double mutant TsER_C25D_I67T · 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 B0JDW3
- Elsewhere: RCSB PDB 5NUX · PDBe 5NUX · UniProt B0JDW3
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