9HJ4
Crystal structure of CD73 (ecto-5'-nucleotidase) complexed to 8-butylthioadenosine 5'monophosphate (compound 3 in publication) in the open enzyme state
This is a non-PDB format compatible entry.
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 | 547 | 60363.3 | 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~{S},4~{R},5~{R})-5-(6-azanyl-8-butylsulfanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate | non-polymer | 435.4 | 1 | Chemie (A1IVB) | |||
| 5 | F (A) | PENTAETHYLENE GLYCOL | non-polymer | 238.3 | 1 | Chemie (1PE) | |||
| 6 | G (A) | TRIETHYLENE GLYCOL | non-polymer | 150.2 | 1 | Chemie (PGE) | |||
| 7 | H (A) | water | water | 18.0 | 637 | Chemie (HOH) |
Sequence modifications
A: 27 - 549 (UniProt: P21589)
| PDB | External Database | Details |
|---|---|---|
| Asp 53 | Asn 53 | engineered mutation |
| Asp 311 | Asn 311 | engineered mutation |
| Asp 333 | Asn 333 | engineered mutation |
| Asp 403 | Asn 403 | engineered mutation |
| Ser 478 | Lys 478 | conflict |
| Gly 550 | - | expression tag |
| Gly 551 | - | expression tag |
| Gly 552 | - | expression tag |
| Gly 553 | - | expression tag |
| Ala 554 | - | expression tag |
| Gly 555 | - | expression tag |
| Gly 556 | - | expression tag |
| Gly 557 | - | expression tag |
| Gly 558 | - | expression tag |
| Gly 559 | - | expression tag |
| Thr 560 | - | expression tag |
| Asp 561 | - | expression tag |
| Asp 562 | - | expression tag |
| Asp 563 | - | expression tag |
| Asp 564 | - | expression tag |
| Lys 565 | - | expression tag |
| Trp 566 | - | expression tag |
| Ser 567 | - | expression tag |
| His 568 | - | expression tag |
| Pro 569 | - | expression tag |
| Gln 570 | - | expression tag |
| Phe 571 | - | expression tag |
| Glu 572 | - | expression tag |
| Lys 573 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 60363.3 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 994.7 | |
| All* | Total formula weight | 61358.1 |
