PDB entry 4ncg

View 4ncg on RCSB PDB site
Description: Discovery of Doravirine, an orally bioavailable non-nucleoside reverse transcriptase inhibitor potent against a wide range of resistant mutant HIV viruses
Class: Transferase/Inhhibitor, Hydrolase/Inhhibitor
Keywords: HIV-1 reverse transcriptase, non-nucleoside inhibition, Wild type RT Transferase-inhibitor complex, Hydrolase-inhibitor complex, Transferase-Inhhibitor, Hydrolase-Inhhibitor complex
Deposited on 2013-10-24, released 2014-02-12
The last revision prior to the SCOPe 2.05 freeze date was dated 2014-02-12, with a file datestamp of 2014-02-07.
Experiment type: XRAY
Resolution: 2.58 Å
R-factor: 0.219
AEROSPACI score: 0.22 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Reverse transcriptase/ribonuclease H
    Species: Human immunodeficiency virus 1 [TaxId:11706]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d4ncga1, d4ncga2
  • Chain 'B':
    Compound: p51 RT
    Species: Human immunodeficiency virus 1 [TaxId:11706]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d4ncgb_
  • Heterogens: 2KW, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4ncgA (A:)
mnspispietvpvklkpgmdgpkvkqwplteekikalveictemekegkiskigpenpyn
tpvfaikkkdstkwrklvdfrelnkrtqdfwevqlgiphpaglkkkksvtvldvgdayfs
vpldedfrkytaftipsinnetpgiryqynvlpqgwkgspaifqssmtkilepfrkqnpd
iviyqymddlyvgsdleigqhrtkieelrqhllrwglttpdkkhqkeppflwmgyelhpd
kwtvqpivlpekdswtvndiqklvgklnwasqiypgikvrqlckllrgtkalteviplte
eaelelaenreilkepvhgvyydpskdliaeiqkqgqgqwtyqiyqepfknlktgkyarm
rgahtndvkqlteavqkittesiviwgktpkfklpiqketwetwwteywqatwipewefv
ntpplvklwyqlekepivgaetfyvdgaanretklgkagyvtnrgrqkvvtltdttnqkt
elqaiylalqdsglevnivtdsqyalgiiqaqpdqseselvnqiieqlikkekvylawvp
ahkgiggneqvdklvsagirkvl

    Sequence, based on observed residues (ATOM records): (download) 
    >4ncgA (A:)
pispietvpvklkpgmdgpkvkqwplteekikalveictemekegkiskigpenpyntpv
faikktkwrklvdfrelnkrtqdfwevqlgiphpaglkkkksvtvldvgdayfsvplded
frkytaftipsinnetpgiryqynvlpqgwkgspaifqssmtkilepfrkqnpdiviyqy
mddlyvgsdleigqhrtkieelrqhllrwglttpdkkhqkeppflwmgyelhpdkwtvqp
ivlpekdswtvndiqklvgklnwasqiypgikvrqlckllrgtkalteviplteeaelel
aenreilkepvhgvyydpskdliaeiqkqgqgqwtyqiyqepfknlktgkyarmrgahtn
dvkqlteavqkittesiviwgktpkfklpiqketwetwwteywqatwipewefvntpplv
klwyqlekepivgaetfyvdgaanretklgkagyvtnrgrqkvvtltdttnqktelqaiy
lalqdsglevnivtdsqyalgiiqaqpdqseselvnqiieqlikkekvylawvpahkgig
gneqvdklvsagi

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4ncgB (B:)
mnspispietvpvklkpgmdgpkvkqwplteekikalveictemekegkiskigpenpyn
tpvfaikkkdstkwrklvdfrelnkrtqdfwevqlgiphpaglkkkksvtvldvgdayfs
vpldedfrkytaftipsinnetpgiryqynvlpqgwkgspaifqssmtkilepfrkqnpd
iviyqymddlyvgsdleigqhrtkieelrqhllrwglttpdkkhqkeppflwmgyelhpd
kwtvqpivlpekdswtvndiqklvgklnwasqiypgikvrqlckllrgtkalteviplte
eaelelaenreilkepvhgvyydpskdliaeiqkqgqgqwtyqiyqepfknlktgkyarm
rgahtndvkqlteavqkittesiviwgktpkfklpiqketwetwwteywqatwipewefv
ntpplvklwyqlekepivgaetf

    Sequence, based on observed residues (ATOM records): (download) 
    >4ncgB (B:)
etvpvklkpgmdgpkvkqwplteekikalveictemekegkiskigpenpyntpvfaikk
stkwrklvdfrelnkrtqdfwevqlgiphpaglkkkksvtvldvgdayfsvpldedfrky
taftipsinnetpgiryqynvlpqgwkgspaifqssmtkilepfrkqnpdiviyqymddl
yvgsdleigqhrtkieelrqhllrwgltyelhpdkwtvqpivlpekdswtvndiqklvgk
lnwasqiypgikvrqlckllrgtkalteviplteeaelelaenreilkepvhgvyydpsk
dliaeiqkqgqgqwtyqiyqepfknlktgkyartndvkqlteavqkittesiviwgktpk
fklpiqketwetwwteywqatwipewefvntpplvklwyqle