PDB entry 6bz2

View 6bz2 on RCSB PDB site
Description: Crystal structure of wild-type HIV-1 protease with a novel HIV-1 inhibitor GRL-14213A of 6-5-5-ring fused crown-like tetrahydropyranofuran as the P2-ligand, a cyclopropylaminobenzothiazole as the P2'-ligand and 3,5-difluorophenylmethyl as the P1-ligand
Class: HYDROLASE/HYDROLASE inhibitor
Keywords: aspartic acid protease, HIV-1 protease inhibitor of GRL-14213A, brain penetration, Drug resistance, dimerization inhibitor, Structure-based design, synthesis, HYDROLASE-HYDROLASE inhibitor complex
Deposited on 2017-12-22, released 2018-02-28
The last revision prior to the SCOPe 2.08 freeze date was dated 2020-01-01, with a file datestamp of 2019-12-27.
Experiment type: XRAY
Resolution: 1.67 Å
R-factor: N/A
AEROSPACI score: 0.41 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Protease
    Species: Human immunodeficiency virus 1 [TaxId:11676]
    Gene: pol
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q5RZ08 (0-98)
      • engineered mutation (6)
      • engineered mutation (32)
      • engineered mutation (62)
      • engineered mutation (66)
      • engineered mutation (94)
    Domains in SCOPe 2.08: d6bz2a_
  • Chain 'B':
    Compound: Protease
    Species: Human immunodeficiency virus 1 [TaxId:11676]
    Gene: pol
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q5RZ08 (0-98)
      • engineered mutation (6)
      • engineered mutation (32)
      • engineered mutation (62)
      • engineered mutation (66)
      • engineered mutation (94)
    Domains in SCOPe 2.08: d6bz2b_
  • Heterogens: NA, CL, 7OA, ACT, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >6bz2A (A:)
pqitlwkrplvtikiggqlkealldtgaddtvieemslpgrwkpkmiggiggfikvrqyd
qiiieiaghkaigtvlvgptpvniigrnlltqigatlnf

  • Chain 'B':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >6bz2B (B:)
pqitlwkrplvtikiggqlkealldtgaddtvieemslpgrwkpkmiggiggfikvrqyd
qiiieiaghkaigtvlvgptpvniigrnlltqigatlnf