3OYJ
Crystal structure of the PFV S217Q mutant intasome in complex with magnesium and the INSTI MK2048
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | PFV integrase | polymer | 395 | 44497.7 | 2 | UniProt (P14350) Pfam (PF17921) Pfam (PF00665) Pfam (PF18103) | Human spumaretrovirus (SFVcpz(hu)) | p42In |
| 2 | C (C) | DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3') | polymer | 19 | 5834.8 | 1 | |||
| 3 | D (D) | DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3') | polymer | 17 | 5195.4 | 1 | |||
| 4 | E (A) | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
| 5 | F, N (A, B) | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 6 | G, H, I, O (A, B) | GLYCEROL | non-polymer | 92.1 | 4 | Chemie (GOL) | |||
| 7 | J (A) | AMMONIUM ION | non-polymer | 18.0 | 1 | Chemie (NH4) | |||
| 8 | K, L, P (A, B) | MAGNESIUM ION | non-polymer | 24.3 | 3 | Chemie (MG) | |||
| 9 | M (A) | (6S)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-N,6-dimethyl-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-4-carboxamide | non-polymer | 461.9 | 1 | Chemie (ZZX) | |||
| 10 | Q, R, S, T (A, B, C, D) | water | water | 18.0 | 198 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 392 (UniProt: P14350)
| PDB | External Database | Details |
|---|---|---|
| Gly -2 | - | expression tag |
| Pro -1 | - | expression tag |
| Gly 0 | - | expression tag |
| Gln 217 | Gly 968 | engineered mutation |
| Gly 218 | Ser 969 | variant |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 100025.7 | |
| Non-Polymers* | Number of molecules | 12 |
| Total formula weight | 1178.7 | |
| All* | Total formula weight | 101204.4 |
