MolNFT v1 · #152429 · protein
Phosphite dehydrogenase mutant I151R/P176R/M207A from ralstonia sp. 4506 in complex with non-natural cofactor nicotinamide cytosine dinucleotide
6IH6: “Phosphite dehydrogenase mutant I151R/P176R/M207A from ralstonia sp. 4506 in complex with non-natural cofactor…”. X-ray diffraction, 1 ligand (A7R), 7 pockets (best druggability 0.79). MolNFT v1 #152429 on GenesisL1: 3D structure…
- PDB
- 6IH6
- Type
- protein
- Length
- 1,320 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphite dehydrogenase
- UniProt
- G4XDR8
- Ligands
- A7R
- Pockets
- 7 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Phosphite dehydrogenase | protein | 330 | 36% helix, 16% strand | G4XDR8 |
Ligands and binding sites
- A7R · [[(2S,3S,4R,5S)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2S,3S,4R,5S)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 671 | 0.79 | 0.84 | 84 | empty |
| 2 | 839 | 0.77 | 0.81 | 90 | empty |
| 3 | 448 | 0.77 | 0.86 | 47 | A7R |
| 4 | 325 | 0.73 | 0.85 | 40 | empty |
| 5 | 636 | 0.72 | 0.79 | 62 | A7R |
Interfaces
5 interfaces between chains.
- B–C · 3191 Ų buried · 44 hydrogen bonds · protein-protein
- B–D · 1045 Ų buried · 10 hydrogen bonds · protein-protein
- A–C · 314 Ų buried · 2 hydrogen bonds · protein-protein
- A–B · 95 Ų buried · 0 hydrogen bonds · protein-protein
- C–D · 53 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 6IH6 · Phosphite Dehydrogenase mutant I151R/P176R/M207A from Ralstonia sp. 4506 in complex with… · 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 6IH6 · PDBe 6IH6 · UniProt G4XDR8
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.