6Z9D
Human Ecto-5'-nucleotidase (CD73) in complex with AOPCP derivative AB680 (compound 55 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 | 5'-nucleotidase | polymer | 557 | 61701.1 | 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-[6-chloranyl-4-[[(1~{S})-1-(2-fluorophenyl)ethyl]amino]pyrazolo[3,4-b]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid | non-polymer | 580.8 | 1 | Chemie (QDH) | |||
| 5 | water | water | 18.0 | 304 | Chemie (HOH) |
Sequence modifications
A: 27 - 549 (UniProt: P21589)
| PDB | External Database | Details |
|---|---|---|
| Met 8 | - | initiating methionine |
| Glu 9 | - | expression tag |
| Trp 10 | - | expression tag |
| Ser 11 | - | expression tag |
| Trp 12 | - | expression tag |
| Val 13 | - | expression tag |
| Phe 14 | - | expression tag |
| Leu 15 | - | expression tag |
| Phe 16 | - | expression tag |
| Phe 17 | - | expression tag |
| Leu 18 | - | expression tag |
| Ser 19 | - | expression tag |
| Val 20 | - | expression tag |
| Thr 21 | - | expression tag |
| Thr 22 | - | expression tag |
| Gly 23 | - | expression tag |
| Val 24 | - | expression tag |
| His 25 | - | expression tag |
| Ser 26 | - | expression tag |
| Asp 53 | Asn 53 | conflict |
| Asp 311 | Asn 311 | conflict |
| Asp 333 | Asn 333 | conflict |
| Asp 403 | Asn 403 | 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 |
| His 559 | - | expression tag |
| His 560 | - | expression tag |
| His 561 | - | expression tag |
| His 562 | - | expression tag |
| His 563 | - | expression tag |
| His 564 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 61701.1 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 751.7 | |
| All* | Total formula weight | 62452.8 |
