3T3C
Structure of HIV PR resistant patient derived mutant (comprising 22 mutations) in complex with DRV
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 | 10672.5 | 2 | UniProt (P03367) Pfam (PF00077) | Human immunodeficiency virus type 1 (HIV-1) | |
| 2 | C (A) | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE | non-polymer | 547.7 | 1 | Chemie (017) PubChem (213039) PubChem (6320436) PubChem (6320437) PubChem (44400512) PubChem (44578485) PubChem (23545473) PubChem (66725685) PubChem (3001874) PubChem (89394603) PubChem (52949690) PubChem (102206609) PubChem (6320435) PubChem (125136514) PubChem (58330571) PubChem (60170302) PubChem (70329566) PubChem (89334570) PubChem (101897907) PubChem (102206607) PubChem (102206608) PubChem (118243427) PubChem (118243428) PubChem (118243429) PubChem (125136515) PubChem (129010372) PubChem (131632443) PubChem (131667685) PubChem (134694394) PubChem (137704505) PubChem (137704865) PubChem (138631483) PubChem (138631484) PubChem (138631622) PubChem (144227995) PubChem (145507139) PubChem (147231834) PubChem (156183881) PubChem (156183911) PubChem (171370671) | |||
| 3 | D, F (A, B) | BETA-MERCAPTOETHANOL | non-polymer | 78.1 | 2 | Chemie (BME) | |||
| 4 | E, G (A, B) | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 5 | H, I (A, B) | water | water | 18.0 | 143 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 99 (UniProt: P03367)
| PDB | External Database | Details |
|---|---|---|
| Ser 4 | Thr 504 | engineered mutation |
| Val 10 | Leu 510 | engineered mutation |
| Ala 13 | Ile 513 | engineered mutation |
| Arg 14 | Lys 514 | engineered mutation |
| Ile 20 | Lys 520 | engineered mutation |
| Val 22 | Ala 522 | engineered mutation |
| Ile 33 | Leu 533 | engineered mutation |
| Asp 35 | Glu 535 | engineered mutation |
| Ile 36 | Met 536 | engineered mutation |
| Asp 37 | Ser 537 | engineered mutation |
| Lys 41 | Arg 541 | engineered mutation |
| Ser 43 | Lys 543 | engineered mutation |
| Ala 48 | Gly 548 | engineered mutation |
| Val 54 | Ile 554 | engineered mutation |
| Phe 66 | Ile 566 | engineered mutation |
| Lys 69 | His 569 | engineered mutation |
| Ser 74 | Thr 574 | engineered mutation |
| Ala 82 | Val 582 | engineered mutation |
| Val 84 | Ile 584 | engineered mutation |
| Ile 89 | Leu 589 | engineered mutation |
| Met 90 | Leu 590 | engineered mutation |
| Ser 91 | Thr 591 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 21344.9 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 896.1 | |
| All* | Total formula weight | 22241.0 |
