MolNFT v1 · #61297 · protein
Crystal structure of phosphorylated mimic form of human nampt complexed with nicotinamide mononucleotide and pyrophosphate
3DHF · Nicotinamide phosphoribosyltransferase: “Crystal structure of phosphorylated mimic form of human nampt complexed with nicotinamide mononucleotide and…”. X-ray diffraction, 4 ligands (NMN, BEF, POP), 4 pockets (best druggability…
- PDB
- 3DHF
- Type
- protein
- Length
- 928 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
- NMN, BEF, POP, MG
- Pockets
- 4 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Nicotinamide phosphoribosyltransferase (EC 2.4.2.12) | protein | 464 | 41% helix, 19% strand | P43490 |
Ligands and binding sites
- NMN · Beta-nicotinamide ribose monophosphate · ligand · 2 copies · chains A, B
- BEF · Beryllium trifluoride ion · ligand · 2 copies · chains A, B
- POP · Pyrophosphate 2- · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 636 | 0.77 | 0.83 | 79 | MG, NMN, BEF, POP |
| 2 | 633 | 0.77 | 0.83 | 79 | MG, POP, NMN, BEF |
| 3 | 585 | 0.70 | 0.78 | 56 | empty |
| 4 | 58 | 0.33 | 0.77 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 4268 Ų buried · 76 hydrogen bonds · protein-protein
Compared structures
- 3DHF · Crystal structure of phosphorylated mimic form of human NAMPT complexed with nicotinamide… · 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 3DHF · PDBe 3DHF · UniProt P43490
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