MolNFT v1 · #17026 · protein
Ydhf, an aldo-keto reductase from E.COLI complexed with NADPH
1OG6 · Hypothetical oxidoreductase ydhf: “Ydhf, an aldo-keto reductase from E.COLI complexed with NADPH”. X-ray diffraction, 1 ligand (NAP), 10 pockets (best druggability 0.66). MolNFT v1 #17026 on GenesisL1: 3D structure, binding sites…
- PDB
- 1OG6
- Type
- protein
- Length
- 889 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypothetical oxidoreductase ydhf
- UniProt
- P76187
- Ligands
- NAP
- Pockets
- 10 · best druggability 0.66
Structure
x-ray diffraction · 3 distinct chains · 44% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hypothetical oxidoreductase ydhf | protein | 297 | 45% helix, 16% strand | P76187 |
| B | Hypothetical oxidoreductase ydhf | protein | 294 | 41% helix, 15% strand | P76187 |
| C | Hypothetical oxidoreductase ydhf | protein | 298 | 44% helix, 16% strand | P76187 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 388 | 0.66 | 0.80 | 40 | NAP |
| 2 | 313 | 0.65 | 0.81 | 44 | NAP |
| 3 | 295 | 0.64 | 0.81 | 47 | NAP |
| 4 | 173 | 0.55 | 0.80 | 34 | empty |
| 5 | 190 | 0.51 | 0.77 | 30 | empty |
Interfaces
3 interfaces between chains.
- B–C · 1061 Ų buried · 13 hydrogen bonds · protein-protein
- A–C · 1005 Ų buried · 19 hydrogen bonds · protein-protein
- A–B · 971 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
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 P76187
- Elsewhere: RCSB PDB 1OG6 · PDBe 1OG6 · UniProt P76187
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