6Z9B
Human Ecto-5'-nucleotidase (CD73) in complex with AOPCP derivative A830 (compound 16 in publication) in the closed form (crystal form III)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | 5'-nucleotidase | polymer | 532 | 59260.4 | 1 | UniProt (P21589) Pfam (PF00149) Pfam (PF02872) | Homo sapiens (Human) | 5'-NT,Ecto-5'-nucleotidase |
| 2 | B, C (A) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 3 | D (A) | CALCIUM ION | non-polymer | 40.1 | 1 | Chemie (CA) | |||
| 4 | E (A) | [[(2~{R},3~{R},4~{S},5~{R})-5-[2-chloranyl-6-[(phenylmethyl)amino]purin-9-yl]-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid | non-polymer | 551.8 | 1 | Chemie (QCQ) | |||
| 5 | F (A) | water | water | 18.0 | 285 | Chemie (HOH) |
Sequence modifications
A: 27 - 549 (UniProt: P21589)
| PDB | External Database | Details |
|---|---|---|
| Met 26 | - | initiating methionine |
| Asp 53 | Asn 53 | engineered mutation |
| Asp 311 | Asn 311 | engineered mutation |
| Asp 333 | Asn 333 | engineered mutation |
| Ala 376 | Thr 376 | engineered mutation |
| Asp 403 | Asn 403 | engineered mutation |
| Leu 550 | - | expression tag |
| Glu 551 | - | expression tag |
| His 552 | - | expression tag |
| His 553 | - | expression tag |
| His 554 | - | expression tag |
| His 555 | - | expression tag |
| His 556 | - | expression tag |
| His 557 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 59260.4 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 722.7 | |
| All* | Total formula weight | 59983.1 |
