6TWA
Human CD73 (ecto 5'-nucleotidase) in complex with PSB12646 (an AOPCP derivative, compound 20 in publication) in the closed state
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A | 5'-nucleotidase | polymer | 532 | 59260.4 | 1 | UniProt (P21589) Pfam (PF00149) Pfam (PF02872) In PDB | Homo sapiens (Human) | 5'-NT,Ecto-5'-nucleotidase |
2 | A | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
3 | A | [[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-2-diazanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid | non-polymer | 455.3 | 1 | Chemie (O02) | |||
4 | A | CALCIUM ION | non-polymer | 40.1 | 1 | Chemie (CA) | |||
5 | water | water | 18.0 | 123 | 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 | 626.2 | |
All* | Total formula weight | 59886.6 |