MolNFT v1 · #164809 · protein
Human nampt in complex with nicotinic acid mononucleotide and phosphate
6TA2 · Nicotinamide phosphoribosyltransferase: “Human nampt in complex with nicotinic acid mononucleotide and phosphate”. X-ray diffraction, 3 ligands (NCN, PO4, CL), 10 pockets (best druggability 0.79). MolNFT v1 #164809 on GenesisL1: 3D…
- PDB
- 6TA2
- Type
- protein
- Length
- 936 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
- NCN, PO4, CL
- Pockets
- 10 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B, A | Nicotinamide phosphoribosyltransferase (EC 2.4.2.12) | protein | 468 | 41% helix, 19% strand | P43490 |
Ligands and binding sites
- NCN · Nicotinate mononucleotide · ligand · 2 copies · chains B, A
- PO4 · Phosphate ion · ion · 2 copies · chains B, A
- CL · Chloride ion · ion · 2 copies · chains B, A
- GOL · Glycerol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 842 | 0.79 | 0.82 | 90 | NCN, PO4, CL |
| 2 | 784 | 0.79 | 0.83 | 84 | PO4, NCN, CL |
| 3 | 597 | 0.71 | 0.79 | 54 | empty |
| 4 | 72 | 0.36 | 0.77 | 17 | empty |
| 5 | 108 | 0.35 | 0.73 | 26 | empty |
Interfaces
1 interface between chains.
- B–A · 4282 Ų buried · 76 hydrogen bonds · protein-protein
Compared structures
- 6TA2 · Human NAMPT in complex with nicotinic acid mononucleotide and phosphate · the same entry in another collection · chain B against B, 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 6TA2 · PDBe 6TA2 · UniProt P43490
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