MolNFT v1 · #150594 · protein
Crystal structure of nadr protein in complex with nr
6GYE · Nicotinamide-nucleotide adenylyltransferase nadr family /…: “Crystal structure of nadr protein in complex with nr”. X-ray diffraction, 2 ligands (NNR, SO4), 11 pockets (best druggability 0.71). MolNFT v1 #150594 on GenesisL1: 3D…
- PDB
- 6GYE
- Type
- protein
- Length
- 724 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nicotinamide-nucleotide adenylyltransferase nadr family / ribosylnicotinamide kinase
- UniProt
- A0A165F602
- Ligands
- NNR, SO4
- Pockets
- 11 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 49% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nicotinamide-nucleotide adenylyltransferase nadr family / ribosylnicotinamide kinase | protein | 359 | 49% helix, 16% strand | A0A165F602 |
| B | Nicotinamide-nucleotide adenylyltransferase nadr family / ribosylnicotinamide kinase | protein | 365 | 49% helix, 16% strand | A0A165F602 |
Ligands and binding sites
- NNR · Nicotinamide riboside · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 12 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 405 | 0.71 | 0.83 | 57 | SO4 |
| 2 | 316 | 0.63 | 0.80 | 37 | SO4 |
| 3 | 228 | 0.61 | 0.81 | 35 | SO4 |
| 4 | 170 | 0.55 | 0.80 | 30 | SO4, NNR |
| 5 | 156 | 0.55 | 0.81 | 28 | SO4, NNR |
Interfaces
1 interface between chains.
- A–B · 2456 Ų buried · 42 hydrogen bonds · protein-protein
Compared structures
- 6GYE · Crystal structure of NadR protein in complex with NR · 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 A0A165F602
- Elsewhere: RCSB PDB 6GYE · PDBe 6GYE · UniProt A0A165F602
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