7QGL
Human CD73 (ecto 5'-nucleotidase) in complex with MRS4602 (a 3-methyl-CMPCP derivative, compound 21 in paper) in the open 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 | 547 | 60363.3 | 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 | CALCIUM ION | non-polymer | 40.1 | 1 | Chemie (CA) | |||
4 | A | [[(2~{R},3~{S},4~{R},5~{R})-5-[(4~{E})-4-[(4-methoxycarbonylphenyl)methoxyimino]-3-methyl-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid | non-polymer | 579.4 | 1 | Chemie (BW0) | |||
5 | A | PENTAETHYLENE GLYCOL | non-polymer | 238.3 | 4 | Chemie (1PE) | |||
6 | water | water | 18.0 | 652 | 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 | 8 |
Total formula weight | 1703.4 | |
All* | Total formula weight | 62066.7 |