PDB entry 2jle

View 2jle on RCSB PDB site
Description: novel indazole nnrtis created using molecular template hybridization based on crystallographic overlays
Class: transferase
Keywords: DNA-directed DNA polymerase, endonuclease, metal-binding, phosphoprotein, nuclease, myristate, hydrolase, cytoplasm, magnesium, RNA-directed DNA polymerase, capsid protein, DNA integration, aspartyl protease, multifunctional enzyme, ribosomal frameshifting, capsid maturation, DNA recombination, viral nucleoprotein, nucleotidyltransferase, zinc-finger, RNA-binding, transferase, lipoprotein, zinc, aids, nnrti, hiv-1, virion, nucleus, protease
Deposited on 2008-09-08, released 2009-08-04
The last revision prior to the SCOPe 2.06 freeze date was dated 2009-08-04, with a file datestamp of 2009-07-31.
Experiment type: XRAY
Resolution: 2.9 Å
R-factor: 0.2674
AEROSPACI score: 0.12 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Reverse transcriptase/RNaseH
    Species: HUMAN IMMUNODEFICIENCY VIRUS 1 [TaxId:11676]
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q72547 (0-End)
      • conflict (102)
      • conflict (349)
    Domains in SCOPe 2.06: d2jlea1, d2jlea2
  • Chain 'B':
    Compound: Reverse transcriptase/RNaseH
    Species: HUMAN IMMUNODEFICIENCY VIRUS 1 [TaxId:11676]
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q72547
      • conflict (102)
      • conflict (349)
    Domains in SCOPe 2.06: d2jleb_
  • Heterogens: I15, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >2jleA (A:)
pispietvpvklkpgmdgpkvkqwplteekikalveictemekegkiskigpenpyntpv
faikkkdstkwrklvdfrelnkrtqdfwevqlgiphpaglkkkksvtvldvgdayfsvpl
dedfrkytaftipsinnetpgiryqynvlpqgwkgspaifqssmtkilepfrkqnpdivi
yqymddlyvgsdleigqhrtkieelrqhllrwglttpdkkhqkeppflwmgyelhpdkwt
vqpivlpekdswtvndiqklvgklnwasqiypgikvrqlckllrgtkalteviplteeae
lelaenreilkepvhgvyydpskdliaeiqkqgqgqwtyqiyqepfknlktgkyarmrga
htndvkqlteavqkittesiviwgktpkfklpiqketwetwwteywqatwipewefvntp
plvklwyqlekepivgaetfyvdgaanretklgkagyvtnrgrqkvvtltdttnqktelq
aiylalqdsglevnivtdsqyalgiiqaqpdqseselvnqiieqlikkekvylawvpahk
giggneqvdklvsagirkvlfldgid

    Sequence, based on observed residues (ATOM records): (download) 
    >2jleA (A:)
pispietvpvklkpgmdgpkvkqwplteekikalveictemekegkiskigpenpyntpv
faikkkdstkwrklvdfrelnkrtqdfwevqlgiphpaglkkkksvtvldvgdayfsvpl
dedfrkytaftipsinnetpgiryqynvlpqgwkgspaifqssmtkilepfrkqnpdivi
yqymddlyvgsdleigqhrtkieelrqhllrwglttpdkkhqkeppflwmgyelhpdkwt
vqpivlpekdswtvndiqklvgklnwasqiypgikvrqlckllrgtkalteviplteeae
lelaenreilkepvhgvyydpskdliaeiqkqgqgqwtyqiyqepfknlktgkyarmrga
htndvkqlteavqkittesiviwgktpkfklpiqketwetwwteywqatwipewefvntp
plvklwyqlekepivgaetfyvdgaanretklgkagyvtnrgrqkvvtltdttnqktelq
aiylalqdsglevnivtdsqyalgiiqaqpdqseselvnqiieqlikkekvylawvpahk
giggn

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >2jleB (B:)
pispietvpvklkpgmdgpkvkqwplteekikalveictemekegkiskigpenpyntpv
faikkkdstkwrklvdfrelnkrtqdfwevqlgiphpaglkkkksvtvldvgdayfsvpl
dedfrkytaftipsinnetpgiryqynvlpqgwkgspaifqssmtkilepfrkqnpdivi
yqymddlyvgsdleigqhrtkieelrqhllrwglttpdkkhqkeppflwmgyelhpdkwt
vqpivlpekdswtvndiqklvgklnwasqiypgikvrqlckllrgtkalteviplteeae
lelaenreilkepvhgvyydpskdliaeiqkqgqgqwtyqiyqepfknlktgkyarmrga
htndvkqlteavqkittesiviwgktpkfklpiqketwetwwteywqatwipewefvntp
plvklwyqlekepivgaetfyvdgaanretklgkagyvtnrgrqkvvtltdttnqktelq
aiylalqdsglevnivtdsqyalgiiqaqpdqseselvnqiieqlikkekvylawvpahk
giggneqvdklvsagirkvlfldgid

    Sequence, based on observed residues (ATOM records): (download) 
    >2jleB (B:)
spietvpvklkpgmdgpkvkqwplteekikalveictemekegkiskigpenpyntpvfa
ikkkdstkwrklvdfrelnkrtqdfwevqlgiphpaglkkkksvtvldvgdayfsvplde
dfrkytaftipsinnetpgiryqynvlpqgwkgspaifqssmtkilepfrkqnpdiviyq
ymddlyvgsdleigqhrtkieelrqhllrwglttpmgyelhpdkwtvqpivlpekdswtv
ndiqklvgklnwasqiypgikvrqlckllrgtkalteviplteeaelelaenreilkepv
hgvyydpskdliaeiqkqgqgqwtyqiyqepfknlktgkyarmrgahtndvkqlteavqk
ittesiviwgktpkfklpiqketwetwwteywqatwipewefvntpplvklwyqle