8DCH
Crystal Structure of a highly resistant HIV-1 protease Clinical isolate PR10x with GRL-0519 (tris-tetrahydrofuran as P2 ligand)
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 | 10784.6 | 2 | UniProt (P03367) Pfam (PF00077) In PDB | Human immunodeficiency virus 1 | PR,Retropepsin |
2 | A | (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate | non-polymer | 604.7 | 1 | Chemie (G52) | |||
3 | A, B | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
4 | B | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
5 | water | water | 18.0 | 213 | 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 |
Ile 19 | Leu 519 | engineered mutation |
Thr 20 | Lys 520 | engineered mutation |
Ile 32 | Val 532 | engineered mutation |
Ile 33 | Leu 533 | engineered mutation |
Asn 35 | Glu 535 | engineered mutation |
Ile 36 | Met 536 | engineered mutation |
Ile 46 | Met 546 | engineered mutation |
Gln 48 | Gly 548 | engineered mutation |
Leu 54 | Ile 554 | engineered mutation |
Pro 63 | Leu 563 | engineered mutation |
Glu 67 | Cys 567 | engineered mutation |
Val 71 | Ala 571 | engineered mutation |
Ser 74 | Thr 574 | engineered mutation |
Val 76 | Leu 576 | engineered mutation |
Val 84 | Ile 584 | engineered mutation |
Val 89 | Leu 589 | engineered mutation |
Met 90 | Leu 590 | engineered mutation |
Ser 91 | Thr 591 | engineered mutation |
Leu 93 | Ile 593 | engineered mutation |
Ala 95 | Cys 595 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 21569.1 | |
Non-Polymers* | Number of molecules | 4 |
Total formula weight | 767.7 | |
All* | Total formula weight | 22336.8 |