4YE3
Crystal Structure of Multidrug Resistant HIV-1 Protease Clinical Isolate PR20 with Inhibitor GRL-4410A
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B | Protease | polymer | 99 | 10766.5 | 2 | UniProt (P03366) Pfam (PF00077) In PDB | Human immunodeficiency virus type 1 group M subtype B (HIV-1) | PR, Retropepsin |
2 | A, B | YTTRIUM ION | non-polymer | 88.9 | 4 | Chemie (Y1) | |||
3 | A, B | CHLORIDE ION | non-polymer | 35.5 | 5 | Chemie (CL) | |||
4 | A | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
5 | B | (3R,3aS,4R,6aR)-4-methoxyhexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate | non-polymer | 592.7 | 1 | Chemie (G04) | |||
6 | water | water | 18.0 | 176 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 99 (UniProt: P03366)
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 | 12 |
Total formula weight | 1309.8 | |
All* | Total formula weight | 22842.9 |