8VAU
Nicotinamide Riboside and CD38: Covalent Inhibition and Live-Cell Labeling
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 | polymer | 257 | 29763.7 | 2 | UniProt (P28907) Pfam (PF02267) | Homo sapiens (human) | 2'-phospho-ADP-ribosyl cyclase,2'-phospho-ADP-ribosyl cyclase/2'-phospho-cyclic-ADP-ribose transferase,2'-phospho-cyclic-ADP-ribose transferase,ADP-ribosyl cyclase 1,ADPRC 1,Cyclic ADP-ribose hydrolase 1,cADPr hydrolase 1,T10 |
| 2 | C, E (A, B) | Nicotinamide riboside | non-polymer | 255.2 | 2 | Chemie (NNR) PubChem (940) PubChem (439924) PubChem (56846413) PubChem (57935617) PubChem (59148232) PubChem (68068899) PubChem (69250010) PubChem (89516119) PubChem (92209522) PubChem (12134045) PubChem (14861897) PubChem (101163052) PubChem (101605694) PubChem (122552208) PubChem (123858638) PubChem (132033345) PubChem (134469536) PubChem (140922825) PubChem (147050516) PubChem (161569893) PubChem (162742294) PubChem (163199524) PubChem (169896901) PubChem (172075031) PubChem (175676481) | |||
| 3 | D, F (A, B) | alpha-D-ribofuranose | non-polymer | 150.1 | 2 | Chemie (RIB) | |||
| 4 | G, H (A, B) | water | water | 18.0 | 300 | Chemie (HOH) |
Sequence modifications
A, B: 45 - 300 (UniProt: P28907)
| PDB | External Database | Details |
|---|---|---|
| Ser 44 | - | expression tag |
| Asp 100 | Asn 100 | engineered mutation |
| Ala 164 | Asn 164 | engineered mutation |
| Asp 209 | Asn 209 | engineered mutation |
| Asp 219 | Asn 219 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 59527.5 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 810.8 | |
| All* | Total formula weight | 60338.2 |
