MolNFT v1 · #152431 · protein
Crystal structure of phosphite dehydrogenase mutant I151R/P176R/M207A from ralstonia sp. 4506
6IH8: “Crystal structure of phosphite dehydrogenase mutant I151R/P176R/M207A from ralstonia sp. 4506”. X-ray diffraction, 15 pockets (best druggability 0.83). MolNFT v1 #152431 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6IH8
- Type
- protein
- Length
- 1,314 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphite dehydrogenase
- UniProt
- G4XDR8
- Pockets
- 15 · best druggability 0.83
Structure
x-ray diffraction · 3 distinct chains · 38% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Phosphite dehydrogenase | protein | 329 | 37% helix, 17% strand | G4XDR8 |
| C | Phosphite dehydrogenase | protein | 330 | 38% helix, 16% strand | G4XDR8 |
| D | Phosphite dehydrogenase | protein | 326 | 38% helix, 17% strand | G4XDR8 |
Pockets
15 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 904 | 0.83 | 0.84 | 91 | empty |
| 2 | 366 | 0.74 | 0.85 | 62 | empty |
| 3 | 259 | 0.74 | 0.87 | 44 | empty |
| 4 | 236 | 0.73 | 0.88 | 46 | empty |
| 5 | 223 | 0.73 | 0.88 | 41 | empty |
Interfaces
4 interfaces between chains.
- A–D · 3156 Ų buried · 42 hydrogen bonds · protein-protein
- B–D · 1139 Ų buried · 5 hydrogen bonds · protein-protein
- A–C · 918 Ų buried · 9 hydrogen bonds · protein-protein
- A–B · 72 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 6IH8 · Crystal structure of Phosphite Dehydrogenase mutant I151R/P176R/M207A from Ralstonia sp.… · 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 G4XDR8
- Elsewhere: RCSB PDB 6IH8 · PDBe 6IH8 · UniProt G4XDR8
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