MolNFT v1 · #92387 · protein
Crystal structure of ndh with trt
4G6G · Rotenone-insensitive NADH-ubiquinone oxidoreductase…: “Crystal structure of ndh with trt”. X-ray diffraction, 3 ligands (TRT, FAD, MG), 14 pockets (best druggability 0.83). MolNFT v1 #92387 on GenesisL1: 3D structure, binding sites…
- PDB
- 4G6G
- Type
- protein
- Length
- 933 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Rotenone-insensitive NADH-ubiquinone oxidoreductase, mitochondrial
- EC
- 1.6.5.9
- UniProt
- P32340
- Ligands
- TRT, FAD, MG
- Pockets
- 14 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Rotenone-insensitive NADH-ubiquinone oxidoreductase, mitochondrial (EC 1.6.5.9) | protein | 470 | 35% helix, 27% strand | P32340 |
| B | Rotenone-insensitive NADH-ubiquinone oxidoreductase, mitochondrial (EC 1.6.5.9) | protein | 463 | 36% helix, 27% strand | P32340 |
Ligands and binding sites
- TRT · Fragment of triton X-100 · ligand · 6 copies · chains A, B
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 10 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1138 | 0.83 | 0.84 | 108 | TRT, FAD, MG |
| 2 | 983 | 0.79 | 0.81 | 80 | TRT, FAD, MG |
| 3 | 366 | 0.77 | 0.87 | 43 | empty |
| 4 | 91 | 0.74 | 0.97 | 25 | empty |
| 5 | 57 | 0.57 | 0.90 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 2093 Ų buried · 10 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 P32340
- Elsewhere: RCSB PDB 4G6G · PDBe 4G6G · UniProt P32340
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