MolNFT v1 · #49594 · protein
Human nicotinamide riboside kinase 1 in complex with nicotinamide riboside
2QT1: “Human nicotinamide riboside kinase 1 in complex with nicotinamide riboside”. X-ray diffraction, 3 ligands (NNR, UNX, PO4), 1 pocket (best druggability 0.62). MolNFT v1 #49594 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 2QT1
- Type
- protein
- Length
- 189 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nicotinamide riboside kinase 1
- EC
- 2.7.1.-
- UniProt
- Q9NWW6
- Ligands
- NNR, UNX, PO4
- Pockets
- 1 · best druggability 0.62
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nicotinamide riboside kinase 1 (EC 2.7.1.-) | protein | 189 | 41% helix, 16% strand | Q9NWW6 |
Ligands and binding sites
- NNR · Nicotinamide riboside · ligand · chains A
- UNX · Unknown atom or ion · ion · 7 copies · chains A
- PO4 · Phosphate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 163 | 0.62 | 0.84 | 32 | PO4, NNR, UNX |
Modifications
Observed in the structure: 6 modified (engineered).
Compared structures
- 2QT1 · Human nicotinamide riboside kinase 1 in complex with nicotinamide riboside · the same entry in another collection · chain A against A, TM-score 1.00
- Q9NWW6 · AlphaFold monomer V2.0 prediction for nicotinamide riboside kinase 1 (Q9NWW6) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 Q9NWW6
- Elsewhere: RCSB PDB 2QT1 · PDBe 2QT1 · UniProt Q9NWW6
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