PDB entry 3irx

View 3irx on RCSB PDB site
Description: Crystal Structure of HIV-1 reverse transcriptase (RT) in complex with the Non-nucleoside RT Inhibitor (E)-S-Methyl 5-(1-(3,7-Dimethyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl)-2-methoxy-3-methylbenzothioate.
Class: transferase/hydrolase
Keywords: NNRTI, NONNUCLEOSIDE INHIBITOR, AIDS, HIV, P51/P66, ADAM, Aspartyl protease, Cell membrane, Cytoplasm, DNA integration, DNA recombination, DNA-directed DNA polymerase, Endonuclease, Hydrolase, Lipoprotein, Membrane, Metal-binding, Multifunctional enzyme, Myristate, Nuclease, Nucleotidyltransferase, Nucleus, Phosphoprotein, Protease, RNA-binding, RNA-directed DNA polymerase, Transferase, Viral nucleoprotein, Virion, Zinc, Zinc-finger, transferase-hydrolase COMPLEX
Deposited on 2009-08-24, released 2010-04-07
The last revision prior to the SCOPe 2.05 freeze date was dated 2010-04-07, with a file datestamp of 2010-04-02.
Experiment type: XRAY
Resolution: 2.8 Å
R-factor: 0.236
AEROSPACI score: 0.23 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Reverse transcriptase/ribonuclease H
    Species: Human immunodeficiency virus type 1 BH10 [TaxId:11678]
    Gene: gag-pol
    Database cross-references and differences (RAF-indexed):
    • Uniprot P03366 (3-End)
      • expression tag (2)
      • engineered (174-175)
      • engineered (282)
    Domains in SCOPe 2.05: d3irxa1, d3irxa2
  • Chain 'B':
    Compound: reverse transcriptase
    Species: Human immunodeficiency virus type 1 BH10 [TaxId:11678]
    Gene: gag-pol
    Database cross-references and differences (RAF-indexed):
    • Uniprot P03366 (0-427)
      • engineered (279)
    Domains in SCOPe 2.05: d3irxb_
  • Heterogens: UDR

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3irxA (A:)
gmvpispietvpvklkpgmdgpkvkqwplteekikalveictemekegkiskigpenpyn
tpvfaikkkdstkwrklvdfrelnkrtqdfwevqlgiphpaglkkkksvtvldvgdayfs
vpldedfrkytaftipsinnetpgiryqynvlpqgwkgspaifqssmtkilepfaaqnpd
iviyqymddlyvgsdleigqhrtkieelrqhllrwglttpdkkhqkeppflwmgyelhpd
kwtvqpivlpekdswtvndiqklvgklnwasqiypgikvrqlskllrgtkalteviplte
eaelelaenreilkepvhgvyydpskdliaeiqkqgqgqwtyqiyqepfknlktgkyarm
rgahtndvkqlteavqkittesiviwgktpkfklpiqketwetwwteywqatwipewefv
ntpplvklwyqlekepivgaetfyvdgaanretklgkagyvtnkgrqkvvpltnttnqkt
elqaiylalqdsglevnivtdsqyalgiiqaqpdkseselvnqiieqlikkekvylawvp
ahkgiggneqvdklvsag

    Sequence, based on observed residues (ATOM records): (download) 
    >3irxA (A:)
vpispietvpvklkpgmdgpkvkqwplteekikalveictemekegkiskigpenpyntp
vfaikkkdstkwrklvdfrelnkrtqdfwevqlgiphpaglkkkksvtvldvgdayfsvp
ldedfrkytaftipsinnetpgiryqynvlpqgwkgspaifqssmtkilepfaaqnpdiv
iyqymddlyvgsdleigqhrtkieelrqhllrwglttpdkkhqkeppflwmgyelhpdkw
tvqpivlpekdswtvndiqklvgklnwasqiypgikvrqlskllrgtkalteviplteea
elelaenreilkepvhgvyydpskdliaeiqkqgqgqwtyqiyqepfknlktgkyarmrg
ahtndvkqlteavqkittesiviwgktpkfklpiqketwetwwteywqatwipewefvnt
pplvklwyqlekepivgaetfyvdgaanretklgkagyvtnkgrqkvvpltnttnqktel
qaiylalqdsglevnivtdsqyalgiiqaqpdkseselvnqiieqlikkekvylawvpah
kgiggneqvdklvsa

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >3irxB (B:)
pispietvpvklkpgmdgpkvkqwplteekikalveictemekegkiskigpenpyntpv
faikkkdstkwrklvdfrelnkrtqdfwevqlgiphpaglkkkksvtvldvgdayfsvpl
dedfrkytaftipsinnetpgiryqynvlpqgwkgspaifqssmtkilepfkkqnpdivi
yqymddlyvgsdleigqhrtkieelrqhllrwglttpdkkhqkeppflwmgyelhpdkwt
vqpivlpekdswtvndiqklvgklnwasqiypgikvrqlskllrgtkalteviplteeae
lelaenreilkepvhgvyydpskdliaeiqkqgqgqwtyqiyqepfknlktgkyarmrga
htndvkqlteavqkittesiviwgktpkfklpiqketwetwwteywqatwipewefvntp
plvklwyq

    Sequence, based on observed residues (ATOM records): (download) 
    >3irxB (B:)
pispietvpvklkpgmdgpkvkqwplteekikalveictemekegkiskigpenpyntpv
faikkkdstkwrklvdfrelnkrtqdfwevqlgiphpaglkkkksvtvldvgdayfsvpl
dedfrkytaftipsinnetpgiryqynvlpqgwkgspaifqssmtkilepfkkqnpdivi
yqymddlyvgsdleigqhrtkieelrqhllrwglflwmgyelhpdkwtvqpivlpekdsw
tvndiqklvgklnwasqiypgikvrqlskllrgtkalteviplteeaelelaenreilke
pvhgvyydpskdliaeiqkqgqgqwtyqiyqepfknlktgkyarmrgahtndvkqlteav
qkittesiviwgktpkfklpiqketwetwwteywqatwipewefvntpplvklwyq