6VUA
X-ray structure of human CD38 catalytic domain with 2'-Cl-araNAD+
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, J (A, B) | [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R})-4-chloranyl-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate | non-polymer | 561.8 | 2 | Chemie (ROJ) | |||
| 3 | D, K (A, B) | POTASSIUM ION | non-polymer | 39.1 | 2 | Chemie (K) | |||
| 4 | E, L (A, B) | PHOSPHATE ION | non-polymer | 95.0 | 2 | Chemie (PO4) | |||
| 5 | F, I, O, P, Q (A, B) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 5 | Chemie (PEG) | |||
| 6 | G, M, N (A, B) | (4S)-2-METHYL-2,4-PENTANEDIOL | non-polymer | 118.2 | 3 | Chemie (MPD) | |||
| 7 | H (A) | TRIETHYLENE GLYCOL | non-polymer | 150.2 | 1 | Chemie (PGE) | |||
| 8 | R, S (A, B) | water | water | 18.0 | 502 | 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 | 15 |
| Total formula weight | 2427.0 | |
| All* | Total formula weight | 61954.4 |
