PDB entry 4o44

View 4o44 on RCSB PDB site
Description: Crystal Structure of HIV-1 Reverse Transcriptase in complex with 4-((4-(mesitylamino)-6-(3-morpholinopropoxy)-1,3,5-triazin-2-yl)amino)benzonitrile (JLJ529), a non-nucleoside inhibitor
Class: hydrolase/hydrolase inhibitor
Keywords: Polymerase, RNase, reverse transcription, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2013-12-18, released 2014-05-21
The last revision prior to the SCOPe 2.05 freeze date was dated 2014-05-28, with a file datestamp of 2014-05-23.
Experiment type: XRAY
Resolution: 2.89 Å
R-factor: 0.236
AEROSPACI score: 0.16 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: HIV-1 reverse transcriptase, p66 subunit
    Species: Human immunodeficiency virus type 1 BH10 [TaxId:11678]
    Gene: gag-pol
    Database cross-references and differences (RAF-indexed):
    • Uniprot P03366 (2-End)
      • engineered mutation (173-174)
      • engineered mutation (281)
    Domains in SCOPe 2.05: d4o44a1, d4o44a2
  • Chain 'B':
    Compound: HIV-1 reverse transcriptase, p51 subunit
    Species: Human immunodeficiency virus type 1 [TaxId:11678]
    Gene: gag-pol
    Database cross-references and differences (RAF-indexed):
    • Uniprot P03366 (0-End)
      • engineered mutation (279)
    Domains in SCOPe 2.05: d4o44b_
  • Heterogens: 2RS, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4o44A (A:)
mvpispietvpvklkpgmdgpkvkqwplteekikalveictemekegkiskigpenpynt
pvfaikkkdstkwrklvdfrelnkrtqdfwevqlgiphpaglkkkksvtvldvgdayfsv
pldedfrkytaftipsinnetpgiryqynvlpqgwkgspaifqssmtkilepfaaqnpdi
viyqymddlyvgsdleigqhrtkieelrqhllrwglttpdkkhqkeppflwmgyelhpdk
wtvqpivlpekdswtvndiqklvgklnwasqiypgikvrqlskllrgtkaltevipltee
aelelaenreilkepvhgvyydpskdliaeiqkqgqgqwtyqiyqepfknlktgkyarmr
gahtndvkqlteavqkittesiviwgktpkfklpiqketwetwwteywqatwipewefvn
tpplvklwyqlekepivgaetfyvdgaanretklgkagyvtnkgrqkvvpltnttnqkte
lqaiylalqdsglevnivtdsqyalgiiqaqpdkseselvnqiieqlikkekvylawvpa
hkgiggneqvdklvsag

    Sequence, based on observed residues (ATOM records): (download) 
    >4o44A (A:)
pispietvpvklkpgmdgpkvkqwplteekikalveictemekegkiskigpenpyntpv
faikkkdstkwrklvdfrelnkrtqdfwevqlgiphpaglkkkksvtvldvgdayfsvpl
dedfrkytaftipsinnetpgiryqynvlpqgwkgspaifqssmtkilepfaaqnpdivi
yqymddlyvgsdleigqhrtkieelrqhllrwglttpdkkhqkeppflwmgyelhpdkwt
vqpivlpekdswtvndiqklvgklnwasqiypgikvrqlskllrgtkalteviplteeae
lelaenreilkepvhgvyydpskdliaeiqkqgqgqwtyqiyqepfknlktgkyarmrga
htndvkqlteavqkittesiviwgktpkfklpiqketwetwwteywqatwipewefvntp
plvklwyqlekepivgaetfyvdgaanretklgkagyvtnkgrqkvvpltnttnqktelq
aiylalqdsglevnivtdsqyalgiiqaqpdkseselvnqiieqlikkekvylawvpahk
giggneqvdklv

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4o44B (B:)
pispietvpvklkpgmdgpkvkqwplteekikalveictemekegkiskigpenpyntpv
faikkkdstkwrklvdfrelnkrtqdfwevqlgiphpaglkkkksvtvldvgdayfsvpl
dedfrkytaftipsinnetpgiryqynvlpqgwkgspaifqssmtkilepfkkqnpdivi
yqymddlyvgsdleigqhrtkieelrqhllrwglttpdkkhqkeppflwmgyelhpdkwt
vqpivlpekdswtvndiqklvgklnwasqiypgikvrqlskllrgtkalteviplteeae
lelaenreilkepvhgvyydpskdliaeiqkqgqgqwtyqiyqepfknlktgkyarmrga
htndvkqlteavqkittesiviwgktpkfklpiqketwetwwteywqatwipewefvntp
plvklwyq

    Sequence, based on observed residues (ATOM records): (download) 
    >4o44B (B:)
pispietvpvklkpgmdgpkvkqwplteekikalveictemekegkiskigpenpyntpv
faikkkdstkwrklvdfrelnkrtqdfwevqlgiphpaglkkkksvtvldvgdayfsvpl
dedfrkytaftipsinnetpgiryqynvlpqgwkgspaifqssmtkilepfkkqnpdivi
yqymddlyvgsdleigqhrtkieelrqhllrwglttpdkkhqkeppflwmgyelhpdkwt
vqpivlpekdswtvndiqklvgklnwasqiypgikvrqlskllrgtkalteviplteeae
lelaenreilkepvhgvyydpskdliaeiqkqgqgqwtyqiyqepfknlktgkyarmrga
htndvkqlteavqkittesiviwgktpkfklpiqketwetwwteywqatwipewefvntp
plvklwy