3ROQ
Crystal structure of human CD38 in complex with compound CZ-46
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | ADP-ribosyl cyclase 1 | polymer | 254 | 29539.5 | 2 | UniProt (P28907) Pfam (PF02267) In PDB | Homo sapiens (human) | Cyclic ADP-ribose hydrolase 1, cADPr hydrolase 1, T10 |
| 2 | A, B | (2R,3R,4S,5S)-4-fluoro-3,5-dihydroxytetrahydrofuran-2-yl 2-phenylethyl hydrogen (S)-phosphate | non-polymer | 322.2 | 2 | Chemie (46Z) | |||
| 3 | water | water | 18.0 | 198 | Chemie (HOH) |
Sequence modifications
A, B: 45 - 296 (UniProt: P28907)
| PDB | External Database | Details |
|---|---|---|
| Glu 43 | - | expression tag |
| Phe 44 | - | expression tag |
| Thr 49 | Gln 49 | SEE REMARK 999 |
| Asp 100 | Asn 100 | engineered mutation |
| Asp 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 | 59079.0 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 644.4 | |
| All* | Total formula weight | 59723.4 |
