PDB entry 6x4a

View 6x4a on RCSB PDB site
Description: Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) Variant in Complex with 5-chloro-7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-8-methyl-2-naphthonitrile (JLJ651), a Non-nucleoside Inhibitor
Class: TRANSFERASE, Hydrolase/Inhibitor
Keywords: Polymerase, reverse transcriptase, non-nucleoside inhibitor, TRANSFERASE, Hydrolase-Inhibitor complex
Deposited on 2020-05-22, released 2020-07-22
The last revision prior to the SCOPe 2.08 freeze date was dated 2020-12-16, with a file datestamp of 2020-12-11.
Experiment type: XRAY
Resolution: 2.54 Å
R-factor: N/A
AEROSPACI score: 0.29 (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 [TaxId:11678]
    Gene: gag-pol
    Database cross-references and differences (RAF-indexed):
    • Uniprot P03366 (2-End)
      • expression tag (0-1)
      • engineered mutation (173-174)
      • engineered mutation (182)
      • engineered mutation (281)
    Domains in SCOPe 2.08: d6x4aa1, d6x4aa2, d6x4aa3
  • Chain 'B':
    Compound: p51 RT
    Species: Human immunodeficiency virus type 1 group M subtype B [TaxId:11678]
    Gene: gag-pol
    Database cross-references and differences (RAF-indexed):
    • Uniprot P03366 (Start-427)
      • engineered mutation (279)
    Domains in SCOPe 2.08: d6x4ab_
  • Heterogens: 7AY, SO4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >6x4aA (A:)
mvpispietvpvklkpgmdgpkvkqwplteekikalveictemekegkiskigpenpynt
pvfaikkkdstkwrklvdfrelnkrtqdfwevqlgiphpaglkkkksvtvldvgdayfsv
pldedfrkytaftipsinnetpgiryqynvlpqgwkgspaifqssmtkilepfaaqnpdi
vicqymddlyvgsdleigqhrtkieelrqhllrwglttpdkkhqkeppflwmgyelhpdk
wtvqpivlpekdswtvndiqklvgklnwasqiypgikvrqlskllrgtkaltevipltee
aelelaenreilkepvhgvyydpskdliaeiqkqgqgqwtyqiyqepfknlktgkyarmr
gahtndvkqlteavqkittesiviwgktpkfklpiqketwetwwteywqatwipewefvn
tpplvklwyqlekepivgaetfyvdgaanretklgkagyvtnkgrqkvvpltnttnqkte
lqaiylalqdsglevnivtdsqyalgiiqaqpdkseselvnqiieqlikkekvylawvpa
hkgiggneqvdklvsag

    Sequence, based on observed residues (ATOM records): (download) 
    >6x4aA (A:)
mvpispietvpvklkpgmdgpkvkqwplteekikalveictemekegkiskigpenpynt
pvfaiwrklvdfrelnkrtqdfwevqlgiphpaglkkkksvtvldvgdayfsvpldedfr
kytaftipsinnetpgiryqynvlpqgwkgspaifqssmtkilepfaaqnpdivicqymd
dlyvgsdleigqhrtkieelrqhllrwglttpdkkhqkeppflwmgyelhpdkwtvqpiv
lpekdswtvndiqklvgklnwasqiypgikvrqlskllrgtkalteviplteeaelelae
nreilkepvhgvyydpskdliaeiqkqgqgqwtyqiyqepfknlktgkyarmrgahtndv
kqlteavqkittesiviwgktpkfklpiqketwetwwteywqatwipewefvntpplvkl
wyqlekepivgaetfyvdgaanretklgkagyvtnkgrqkvvpltnttnqktelqaiyla
lqdsglevnivtdsqyalgiiqaqpdkseselvnqiieqlikkekvylawvpahkgiggn
eqvdklv

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >6x4aB (B:)
pispietvpvklkpgmdgpkvkqwplteekikalveictemekegkiskigpenpyntpv
faikkkdstkwrklvdfrelnkrtqdfwevqlgiphpaglkkkksvtvldvgdayfsvpl
dedfrkytaftipsinnetpgiryqynvlpqgwkgspaifqssmtkilepfkkqnpdivi
yqymddlyvgsdleigqhrtkieelrqhllrwglttpdkkhqkeppflwmgyelhpdkwt
vqpivlpekdswtvndiqklvgklnwasqiypgikvrqlskllrgtkalteviplteeae
lelaenreilkepvhgvyydpskdliaeiqkqgqgqwtyqiyqepfknlktgkyarmrga
htndvkqlteavqkittesiviwgktpkfklpiqketwetwwteywqatwipewefvntp
plvklwyq

    Sequence, based on observed residues (ATOM records): (download) 
    >6x4aB (B:)
ietvpvklkpgmdgpkvkqwplteekikalveictemekegkiskigpenpyntpvfaik
kkdstkwrklvdfrelnkrtqdfwgiphpaglkkkksvtvldvgdayfsvpldedfrkyt
aftipsinnetpgiryqynvlpqgwkgspaifqssmtkilepfkkqnpdiviyqymddly
vgsdleigqhrtkieelrqhllrwyelhpdkwtvqpivlpekdswtvndiqklvgklnwa
sqiypgikvrqlskllrgtkalteviplteeaelelaenreilkepvhgvyydpskdlia
eiqkqgqgqwtyqiyqepfknlktgkyarmrgahtndvkqlteavqkittesiviwgktp
kfklpiqketwetwwteywqatwipewefvntpplvklwyq