PDB entry 4i2q

View 4i2q on RCSB PDB site
Description: Crystal structure of K103N/Y181C mutant of HIV-1 reverse transcriptase in complex with rilpivirine (TMC278) analogue
Class: hydrolase, transferase/inhibitor
Keywords: P51/P66, hetero dimer, NNRTI, nonnucleoside inhibitor, AIDS, HIV, DNA recombination, RNA-directed DNA polymerase, DNA polymerase, endonuclease, hydrolase, multifunctional enzyme, transferase, TRANSFERASE-INHIBITOR complex
Deposited on 2012-11-22, released 2013-01-16
The last revision prior to the SCOPe 2.04 freeze date was dated 2013-01-16, with a file datestamp of 2013-01-11.
Experiment type: XRAY
Resolution: 2.7 Å
R-factor: 0.215
AEROSPACI score: 0.25 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Gag-Pol polyprotein
    Species: Human immunodeficiency virus type 1 BH10 [TaxId:11678]
    Gene: gag-pol
    Database cross-references and differences (RAF-indexed):
    • Uniprot P03366 (2-End)
      • expression tag (0-1)
      • engineered mutation (104)
      • engineered mutation (173-174)
      • engineered mutation (182)
      • engineered mutation (281)
    Domains in SCOPe 2.04: d4i2qa1, d4i2qa2
  • Chain 'B':
    Compound: Gag-Pol polyprotein
    Species: Human immunodeficiency virus type 1 BH10 [TaxId:11678]
    Gene: gag-pol
    Database cross-references and differences (RAF-indexed):
    • Uniprot P03366 (Start-427)
      • engineered mutation (279)
    Domains in SCOPe 2.04: d4i2qb_
  • Heterogens: 1BT, EDO, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4i2qA (A:)
    mvpispietvpvklkpgmdgpkvkqwplteekikalveictemekegkiskigpenpynt
    pvfaikkkdstkwrklvdfrelnkrtqdfwevqlgiphpaglkknksvtvldvgdayfsv
    pldedfrkytaftipsinnetpgiryqynvlpqgwkgspaifqssmtkilepfaaqnpdi
    vicqymddlyvgsdleigqhrtkieelrqhllrwglttpdkkhqkeppflwmgyelhpdk
    wtvqpivlpekdswtvndiqklvgklnwasqiypgikvrqlskllrgtkaltevipltee
    aelelaenreilkepvhgvyydpskdliaeiqkqgqgqwtyqiyqepfknlktgkyarmr
    gahtndvkqlteavqkittesiviwgktpkfklpiqketwetwwteywqatwipewefvn
    tpplvklwyqlekepivgaetfyvdgaanretklgkagyvtnkgrqkvvpltnttnqkte
    lqaiylalqdsglevnivtdsqyalgiiqaqpdkseselvnqiieqlikkekvylawvpa
    hkgiggneqvdklvsag
    

    Sequence, based on observed residues (ATOM records): (download)
    >4i2qA (A:)
    mvpispietvpvklkpgmdgpkvkqwplteekikalveictemekegkiskigpenpynt
    pvfaikkkdstkwrklvdfrelnkrtqdfwevqlgiphpaglkknksvtvldvgdayfsv
    pldedfrkytaftipsinnetpgiryqynvlpqgwkgspaifqssmtkilepfaaqnpdi
    vicqymddlyvgsdleigqhrtkieelrqhllrwglttpdkkhqkeppflwmgyelhpdk
    wtvqpivlpekdswtvndiqklvgklnwasqiypgikvrqlskllrgtkaltevipltee
    aelelaenreilkepvhgvyydpskdliaeiqkqgqgqwtyqiyqepfknlktgkyarmr
    gahtndvkqlteavqkittesiviwgktpkfklpiqketwetwwteywqatwipewefvn
    tpplvklwyqlekepivgaetfyvdgaanretklgkagyvtnkgrqkvvpltnttnqkte
    lqaiylalqdsglevnivtdsqyalgiiqaqpdkseselvnqiieqlikkekvylawvpa
    hkgiggneqvdklvsa
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4i2qB (B:)
    pispietvpvklkpgmdgpkvkqwplteekikalveictemekegkiskigpenpyntpv
    faikkkdstkwrklvdfrelnkrtqdfwevqlgiphpaglkkkksvtvldvgdayfsvpl
    dedfrkytaftipsinnetpgiryqynvlpqgwkgspaifqssmtkilepfkkqnpdivi
    yqymddlyvgsdleigqhrtkieelrqhllrwglttpdkkhqkeppflwmgyelhpdkwt
    vqpivlpekdswtvndiqklvgklnwasqiypgikvrqlskllrgtkalteviplteeae
    lelaenreilkepvhgvyydpskdliaeiqkqgqgqwtyqiyqepfknlktgkyarmrga
    htndvkqlteavqkittesiviwgktpkfklpiqketwetwwteywqatwipewefvntp
    plvklwyq
    

    Sequence, based on observed residues (ATOM records): (download)
    >4i2qB (B:)
    ietvpvklkpgmdgpkvkqwplteekikalveictemekegkiskigpenpyntpvfaik
    kkdstkwrklvdfrelnkrtqdfwevqlgiphpaglkkkksvtvldvgdayfsvpldedf
    rkytaftipsinnetpgiryqynvlpqgwkgspaifqssmtkilepfkkqnpdiviyqym
    ddlyvgsdleigqhrtkieelrqhllrwglteppflwmgyelhpdkwtvqpivlpekdsw
    tvndiqklvgklnwasqiypgikvrqlskllrgtkalteviplteeaelelaenreilke
    pvhgvyydpskdliaeiqkqgqgqwtyqiyqepfknlktgkyarmrgahtndvkqlteav
    qkittesiviwgktpkfklpiqketwetwwteywqatwipewefvntpplvklwyq