MolNFT v1 · #101763 · protein
Structural basis for resistance to diverse classes of nampt inhibitors
4O16 · Nicotinamide phosphoribosyltransferase: “Structural basis for resistance to diverse classes of nampt inhibitors”. X-ray diffraction, 2 ligands (1XC, PO4), 4 pockets (best druggability 0.65). MolNFT v1 #101763 on GenesisL1: 3D…
- PDB
- 4O16
- Type
- protein
- Length
- 470 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nicotinamide phosphoribosyltransferase
- EC
- 2.4.2.12
- UniProt
- P43490
- Ligands
- 1XC, PO4
- Pockets
- 4 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nicotinamide phosphoribosyltransferase (EC 2.4.2.12) | protein | 470 | 42% helix, 19% strand | P43490 |
Ligands and binding sites
- 1XC · 6-({4-[(3,5-difluorophenyl)sulfonyl]benzyl}carbamoyl)-1-(5-O-phosphono-beta-D-ribofuranosyl)imidazo[1,2-a]pyridin-1-ium · ligand · chains A
- PO4 · Phosphate ion · ion · 2 copies · chains A
- EDO · 1,2-ethanediol · additive · 13 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 441 | 0.65 | 0.78 | 49 | 1XC, PO4, EDO |
| 2 | 99 | 0.42 | 0.78 | 22 | empty |
| 3 | 94 | 0.40 | 0.77 | 23 | empty |
| 4 | 59 | 0.34 | 0.78 | 17 | empty |
Compared structures
- 4O16 · Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors · 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 4O16 · PDBe 4O16 · UniProt P43490
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