4XJT
Human CD38 complexed with inhibitor 2 [4-[(2,6-dimethylbenzyl)amino]-2-methylquinoline-8-carboxamide]
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 | polymer | 262 | 30317.3 | 1 | 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 | B (A) | 4-[(2,6-dimethylbenzyl)amino]-2-methylquinoline-8-carboxamide | non-polymer | 319.4 | 1 | Chemie (41Z) | |||
| 3 | C (A) | [(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3-HYDROXY-4-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL [(2R,3S,4S)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE | non-polymer | 623.3 | 1 | Chemie (NA7) | |||
| 4 | D (A) | water | water | 18.0 | 47 | Chemie (HOH) |
Sequence modifications
A: 46 - 300 (UniProt: P28907)
| PDB | External Database | Details |
|---|---|---|
| Arg 39 | - | expression tag |
| Gly 40 | - | expression tag |
| Lys 41 | - | expression tag |
| Asn 42 | - | expression tag |
| Pro 43 | - | expression tag |
| Glu 44 | - | expression tag |
| Asp 45 | - | 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 |
| Gln 226 | Glu 226 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 30317.3 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 942.7 | |
| All* | Total formula weight | 31260.0 |
