3UFN
Crystal Structure of Multidrug Resistant HIV-1 Protease Clinical Isolate PR20 in Complex with Saquinavir
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) | HIV-1 protease | polymer | 99 | 10766.5 | 2 | UniProt (P03367) Pfam (PF00077) | Homo sapiens (human) | |
| 2 | C, D (A) | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide | non-polymer | 670.8 | 2 | BIRD (PRD_000454) Chemie (ROC) PubChem (441243) PubChem (44341147) PubChem (454468) PubChem (454469) PubChem (454470) PubChem (466470) PubChem (44302795) PubChem (59793479) PubChem (59871017) PubChem (59923166) PubChem (66577040) PubChem (67631661) PubChem (59964683) PubChem (67631659) PubChem (5472919) PubChem (3000788) PubChem (86575993) PubChem (60787) PubChem (60935) PubChem (6604589) PubChem (90772039) PubChem (11422480) PubChem (3579812) PubChem (118718788) PubChem (101609863) PubChem (126968593) PubChem (129626579) PubChem (134694388) PubChem (124587484) PubChem (140571999) PubChem (129626581) PubChem (131839596) PubChem (15107606) PubChem (135285682) PubChem (146347457) | |||
| 3 | E, F (B) | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) PubChem (312) | |||
| 4 | G, H (A, B) | water | water | 18.0 | 126 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 99 (UniProt: P03367)
| PDB | External Database | Details |
|---|---|---|
| Lys 7 | Gln 507 | engineered mutation |
| Phe 10 | Leu 510 | engineered mutation |
| Val 13 | Ile 513 | engineered mutation |
| Val 15 | Ile 515 | engineered mutation |
| Asn 30 | Asp 530 | engineered mutation |
| Ile 32 | Val 532 | engineered mutation |
| Phe 33 | Leu 533 | engineered mutation |
| Asp 35 | Glu 535 | engineered mutation |
| Ile 36 | Met 536 | engineered mutation |
| Asn 37 | Ser 537 | engineered mutation |
| Val 47 | Ile 547 | engineered mutation |
| Leu 54 | Ile 554 | engineered mutation |
| Glu 58 | Gln 558 | engineered mutation |
| Val 62 | Ile 562 | engineered mutation |
| Pro 63 | Leu 563 | engineered mutation |
| Ala 67 | Cys 567 | engineered mutation |
| Val 71 | Ala 571 | engineered mutation |
| Val 84 | Ile 584 | engineered mutation |
| Asp 88 | Asn 588 | engineered mutation |
| Thr 89 | Leu 589 | engineered mutation |
| Met 90 | Leu 590 | engineered mutation |
| Ala 95 | Cys 595 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 21533.1 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 1412.6 | |
| All* | Total formula weight | 22945.7 |
