PDB entry 6aoc

View 6aoc on RCSB PDB site
Description: Crystal Structure of an N-Hydroxythienopyrimidine-2,4-dione RNase H Active Site Inhibitor with Multiple Binding Modes to HIV Reverse Transcriptase
Class: transferase / transferase inhibitor
Keywords: HIV-1, TRANSFERASE - TRANSFERASE INHIBITOR complex
Deposited on 2017-08-15, released 2018-08-08
The last revision prior to the SCOPe 2.08 freeze date was dated 2019-12-11, with a file datestamp of 2019-12-06.
Experiment type: XRAY
Resolution: 1.8 Å
R-factor: N/A
AEROSPACI score: 0.37 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Reverse transcriptase/ribonuclease H
    Species: Human immunodeficiency virus type 1 group M subtype B (isolate BH10) [TaxId:11678]
    Gene: gag-pol
    Database cross-references and differences (RAF-indexed):
    • Uniprot P03366 (2-556)
      • engineered mutation (281)
    Domains in SCOPe 2.08: d6aoca1, d6aoca2
  • Chain 'B':
    Compound: p51 RT
    Species: Human immunodeficiency virus type 1 group M subtype B (isolate BH10) [TaxId:11678]
    Gene: gag-pol
    Database cross-references and differences (RAF-indexed):
    • Uniprot P03366 (1-428)
      • expression tag (0)
      • engineered mutation (280)
    Domains in SCOPe 2.08: d6aocb1, d6aocb2
  • Chain 'C':
    Compound: Reverse transcriptase/ribonuclease H
    Species: Human immunodeficiency virus type 1 group M subtype B (isolate BH10) [TaxId:11678]
    Gene: gag-pol
    Database cross-references and differences (RAF-indexed):
    • Uniprot P03366 (2-556)
      • initiating methionine (0)
      • expression tag (1)
      • engineered mutation (281)
    Domains in SCOPe 2.08: d6aocc1, d6aocc2
  • Chain 'D':
    Compound: p51 RT
    Species: Human immunodeficiency virus type 1 group M subtype B (isolate BH10) [TaxId:11678]
    Gene: gag-pol
    Database cross-references and differences (RAF-indexed):
    • Uniprot P03366 (Start-428)
      • engineered mutation (280)
    Domains in SCOPe 2.08: d6aocd_
  • Heterogens: MN, ZW2, PGE, EDO, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >6aocA (A:)
    mvpispietvpvklkpgmdgpkvkqwplteekikalveictemekegkiskigpenpynt
    pvfaikkkdstkwrklvdfrelnkrtqdfwevqlgiphpaglkkkksvtvldvgdayfsv
    pldedfrkytaftipsinnetpgiryqynvlpqgwkgspaifqssmtkilepfkkqnpdi
    viyqymddlyvgsdleigqhrtkieelrqhllrwglttpdkkhqkeppflwmgyelhpdk
    wtvqpivlpekdswtvndiqklvgklnwasqiypgikvrqlskllrgtkaltevipltee
    aelelaenreilkepvhgvyydpskdliaeiqkqgqgqwtyqiyqepfknlktgkyarmr
    gahtndvkqlteavqkittesiviwgktpkfklpiqketwetwwteywqatwipewefvn
    tpplvklwyqlekepivgaetfyvdgaanretklgkagyvtnkgrqkvvpltnttnqkte
    lqaiylalqdsglevnivtdsqyalgiiqaqpdkseselvnqiieqlikkekvylawvpa
    hkgiggneqvdklvsag
    

    Sequence, based on observed residues (ATOM records): (download)
    >6aocA (A:)
    pispietvpvklkpgmdgpkvkqwplteekikalveictemekegkiskigpenpyntpv
    faikkkdstkwrklvdfrelnkrtqdfwevqlgiphpaglkkkksvtvldvgdayfsvpl
    dedfrkytaftipsinnetpgiryqynvlpqgwkgspaifqssmtkilepfkkqnpdivi
    yqymddlyvgsdleigqhrtkieelrqhllrwglttpdkkhqkeppflwmgyelhpdkwt
    vqpivlpekdswtvndiqklvgklnwasqiypgikvrqlskllrgtkalteviplteeae
    lelaenreilkepvhgvyydpskdliaeiqkqgqgqwtyqiyqepfknlktgkyarmrga
    htndvkqlteavqkittesiviwgktpkfklpiqketwetwwteywqatwipewefvntp
    plvklwyqlekepivgaetfyvdgaanretklgkagyvtnkgrqkvvpltnttnqktelq
    aiylalqdsglevnivtdsqyalgiiqaqpdkseselvnqiieqlikkekvylawvpahk
    giggneqvdklvsag
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >6aocB (B:)
    gpispietvpvklkpgmdgpkvkqwplteekikalveictemekegkiskigpenpyntp
    vfaikkkdstkwrklvdfrelnkrtqdfwevqlgiphpaglkkkksvtvldvgdayfsvp
    ldedfrkytaftipsinnetpgiryqynvlpqgwkgspaifqssmtkilepfkkqnpdiv
    iyqymddlyvgsdleigqhrtkieelrqhllrwglttpdkkhqkeppflwmgyelhpdkw
    tvqpivlpekdswtvndiqklvgklnwasqiypgikvrqlskllrgtkalteviplteea
    elelaenreilkepvhgvyydpskdliaeiqkqgqgqwtyqiyqepfknlktgkyarmrg
    ahtndvkqlteavqkittesiviwgktpkfklpiqketwetwwteywqatwipewefvnt
    pplvklwyq
    

    Sequence, based on observed residues (ATOM records): (download)
    >6aocB (B:)
    gpispietvpvklkpgmdgpkvkqwplteekikalveictemekegkiskigpenpyntp
    vfaikkkdstkwrklvdfrelnkrtqdfwevqlgiphpaglkkkksvtvldvgdayfsvp
    ldedfrkytaftipsinnetpgiryqynvlpqgwkgspaifqssmtkilepfkkqnpdiv
    iyqymddlyvgsdleigqhrtkieelrqhllrwglttpdkeppflwmgyelhpdkwtvqp
    ivlpekdswtvndiqklvgklnwasqiypgikvrqlskllrgtkalteviplteeaelel
    aenreilkepvhgvyydpskdliaeiqkqgqgqwtyqiyqepfknlktgkyarmrgahtn
    dvkqlteavqkittesiviwgktpkfklpiqketwetwwteywqatwipewefvntpplv
    klwyq
    

  • Chain 'C':
    Sequence; same for both SEQRES and ATOM records: (download)
    >6aocC (C:)
    mvpispietvpvklkpgmdgpkvkqwplteekikalveictemekegkiskigpenpynt
    pvfaikkkdstkwrklvdfrelnkrtqdfwevqlgiphpaglkkkksvtvldvgdayfsv
    pldedfrkytaftipsinnetpgiryqynvlpqgwkgspaifqssmtkilepfkkqnpdi
    viyqymddlyvgsdleigqhrtkieelrqhllrwglttpdkkhqkeppflwmgyelhpdk
    wtvqpivlpekdswtvndiqklvgklnwasqiypgikvrqlskllrgtkaltevipltee
    aelelaenreilkepvhgvyydpskdliaeiqkqgqgqwtyqiyqepfknlktgkyarmr
    gahtndvkqlteavqkittesiviwgktpkfklpiqketwetwwteywqatwipewefvn
    tpplvklwyqlekepivgaetfyvdgaanretklgkagyvtnkgrqkvvpltnttnqkte
    lqaiylalqdsglevnivtdsqyalgiiqaqpdkseselvnqiieqlikkekvylawvpa
    hkgiggneqvdklvsag
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >6aocD (D:)
    gpispietvpvklkpgmdgpkvkqwplteekikalveictemekegkiskigpenpyntp
    vfaikkkdstkwrklvdfrelnkrtqdfwevqlgiphpaglkkkksvtvldvgdayfsvp
    ldedfrkytaftipsinnetpgiryqynvlpqgwkgspaifqssmtkilepfkkqnpdiv
    iyqymddlyvgsdleigqhrtkieelrqhllrwglttpdkkhqkeppflwmgyelhpdkw
    tvqpivlpekdswtvndiqklvgklnwasqiypgikvrqlskllrgtkalteviplteea
    elelaenreilkepvhgvyydpskdliaeiqkqgqgqwtyqiyqepfknlktgkyarmrg
    ahtndvkqlteavqkittesiviwgktpkfklpiqketwetwwteywqatwipewefvnt
    pplvklwyq
    

    Sequence, based on observed residues (ATOM records): (download)
    >6aocD (D:)
    pietvpvklkpgmdgpkvkqwplteekikalveictemekegkiskigpenpyntpvfai
    kkkdstkwrklvdfrelnkrtqdfwevqlgiphpaglkkkksvtvldvgdayfsvplded
    frkytaftipsinnetpgiryqynvlpqgwkgspaifqssmtkilepfkkqnpdiviyqy
    mddlyvgsdleigqhrtkieelrqhllrwgleppflwmgyelhpdkwtvqpivlpekdsw
    tvndiqklvgklnwasqiypgikvrqlskllrgtkalteviplteeaelelaenreilke
    pvhgvyydpskdliaeiqkqgqgqwtyqiyqepfknlktgkyarmrgahtndvkqlteav
    qkittesiviwgktpkfklpiqketwetwwteywqatwipewefvntpplvklwyq