MolNFT v1 · #164808 · protein
Human nampt in complex with nicotinic acid and phosphoribosyl pyrophosphate
6TA0 · Nicotinamide phosphoribosyltransferase: “Human nampt in complex with nicotinic acid and phosphoribosyl pyrophosphate”. X-ray diffraction, 2 ligands (PRP, NIO), 6 pockets (best druggability 0.80). MolNFT v1 #164808 on GenesisL1: 3D…
- PDB
- 6TA0
- Type
- protein
- Length
- 935 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nicotinamide phosphoribosyltransferase
- EC
- 2.4.2.12
- UniProt
- P43490
- Ligands
- PRP, NIO
- Pockets
- 6 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nicotinamide phosphoribosyltransferase (EC 2.4.2.12) | protein | 467 | 41% helix, 19% strand | P43490 |
| B | Nicotinamide phosphoribosyltransferase (EC 2.4.2.12) | protein | 468 | 41% helix, 19% strand | P43490 |
Ligands and binding sites
- PRP · 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose · ligand · 2 copies · chains A, B
- NIO · Nicotinic acid · ligand · 2 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 813 | 0.80 | 0.83 | 79 | PRP, NIO |
| 2 | 747 | 0.79 | 0.83 | 77 | PRP, NIO |
| 3 | 793 | 0.75 | 0.80 | 59 | empty |
| 4 | 108 | 0.38 | 0.75 | 24 | empty |
| 5 | 56 | 0.34 | 0.78 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 4280 Ų buried · 78 hydrogen bonds · protein-protein
Compared structures
- 6TA0 · Human NAMPT in complex with nicotinic acid and phosphoribosyl pyrophosphate · 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 P43490
- Elsewhere: RCSB PDB 6TA0 · PDBe 6TA0 · UniProt P43490
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