PDB entry 4g1q

View 4g1q on RCSB PDB site
Description: Crystal structure of HIV-1 reverse transcriptase (RT) in complex with Rilpivirine (TMC278, Edurant), a non-nucleoside rt-inhibiting drug
Class: transferase, hydrolase/inhibitor
Keywords: P51/P66, HETERO DIMER, NNRTI, NONNUCLEOSIDE INHIBITOR, AIDS, HIV, R278474, DIARYLPYRIMIDINE, DAPY, DNA RECOMBINATION, RNA-DIRECTED DNA POLYMERASE, DNA POLYMERASE, ENDONUCLEASE, HYDROLASE, MULTIFUNCTIONAL ENZYME, TRANSFERASE, HYDROLASE-INHIBITOR complex
Deposited on 2012-07-11, released 2013-02-06
The last revision prior to the SCOPe 2.08 freeze date was dated 2018-01-24, with a file datestamp of 2018-01-19.
Experiment type: XRAY
Resolution: 1.51 Å
R-factor: N/A
AEROSPACI score: 0.48 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Reverse transcriptase/ribonuclease H
    Species: Human immunodeficiency virus type 1 [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 (281)
    Domains in SCOPe 2.08: d4g1qa1, d4g1qa2, d4g1qa3
  • Chain 'B':
    Compound: p51 RT
    Species: Human immunodeficiency virus type 1 [TaxId:11678]
    Gene: gag-pol
    Database cross-references and differences (RAF-indexed):
    • Uniprot P03366 (Start-427)
      • engineered mutation (279)
    Domains in SCOPe 2.08: d4g1qb_
  • Heterogens: T27, SO4, EDO, MG, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4g1qA (A:)
mvpispietvpvklkpgmdgpkvkqwplteekikalveictemekegkiskigpenpynt
pvfaikkkdstkwrklvdfrelnkrtqdfwevqlgiphpaglkkkksvtvldvgdayfsv
pldedfrkytaftipsinnetpgiryqynvlpqgwkgspaifqssmtkilepfaaqnpdi
viyqymddlyvgsdleigqhrtkieelrqhllrwglttpdkkhqkeppflwmgyelhpdk
wtvqpivlpekdswtvndiqklvgklnwasqiypgikvrqlskllrgtkaltevipltee
aelelaenreilkepvhgvyydpskdliaeiqkqgqgqwtyqiyqepfknlktgkyarmr
gahtndvkqlteavqkittesiviwgktpkfklpiqketwetwwteywqatwipewefvn
tpplvklwyqlekepivgaetfyvdgaanretklgkagyvtnkgrqkvvpltnttnqkte
lqaiylalqdsglevnivtdsqyalgiiqaqpdkseselvnqiieqlikkekvylawvpa
hkgiggneqvdklvsag

    Sequence, based on observed residues (ATOM records): (download) 
    >4g1qA (A:)
mvpispietvpvklkpgmdgpkvkqwplteekikalveictemekegkiskigpenpynt
pvfaikkkdstkwrklvdfrelnkrtqdfwevqlgiphpaglkkkksvtvldvgdayfsv
pldedfrkytaftipsinnetpgiryqynvlpqgwkgspaifqssmtkilepfaaqnpdi
viyqymddlyvgsdleigqhrtkieelrqhllrwglttpdkkhqkeppflwmgyelhpdk
wtvqpivlpekdswtvndiqklvgklnwasqiypgikvrqlskllrgtkaltevipltee
aelelaenreilkepvhgvyydpskdliaeiqkqgqgqwtyqiyqepfknlktgkyarmr
gahtndvkqlteavqkittesiviwgktpkfklpiqketwetwwteywqatwipewefvn
tpplvklwyqlekepivgaetfyvdgaanretklgkagyvtnkgrqkvvpltnttnqkte
lqaiylalqdsglevnivtdsqyalgiiqaqpdkseselvnqiieqlikkekvylawvpa
hkgiggneqvdklvsa

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4g1qB (B:)
pispietvpvklkpgmdgpkvkqwplteekikalveictemekegkiskigpenpyntpv
faikkkdstkwrklvdfrelnkrtqdfwevqlgiphpaglkkkksvtvldvgdayfsvpl
dedfrkytaftipsinnetpgiryqynvlpqgwkgspaifqssmtkilepfkkqnpdivi
yqymddlyvgsdleigqhrtkieelrqhllrwglttpdkkhqkeppflwmgyelhpdkwt
vqpivlpekdswtvndiqklvgklnwasqiypgikvrqlskllrgtkalteviplteeae
lelaenreilkepvhgvyydpskdliaeiqkqgqgqwtyqiyqepfknlktgkyarmrga
htndvkqlteavqkittesiviwgktpkfklpiqketwetwwteywqatwipewefvntp
plvklwyq

    Sequence, based on observed residues (ATOM records): (download) 
    >4g1qB (B:)
ietvpvklkpgmdgpkvkqwplteekikalveictemekegkiskigpenpyntpvfaik
kkdstkwrklvdfrelnkrtqdfwevqlgiphpaglkkkksvtvldvgdayfsvpldedf
rkytaftipsinnetpgiryqynvlpqgwkgspaifqssmtkilepfkkqnpdiviyqym
ddlyvgsdleigqhrtkieelrqhllrwglteppflwmgyelhpdkwtvqpivlpekdsw
tvndiqklvgklnwasqiypgikvrqlskllrgtkalteviplteeaelelaenreilke
pvhgvyydpskdliaeiqkqgqgqwtyqiyqepfknlktgkyarmrgahtndvkqlteav
qkittesiviwgktpkfklpiqketwetwwteywqatwipewefvntpplvklwyq