PDB entry 3pkp

View 3pkp on RCSB PDB site
Description: Q83S Variant of S. Enterica RmlA with dATP
Class: transferase
Keywords: nucleotidylyltransferase, Directed evolution, Structural Genomics, PSI-2, Protein Structure Initiative, Center for Eukaryotic Structural Genomics, CESG, TRANSFERASE
Deposited on 2010-11-11, released 2011-01-12
The last revision prior to the SCOPe 2.08 freeze date was dated 2017-11-08, with a file datestamp of 2017-11-03.
Experiment type: XRAY
Resolution: 2.6 Å
R-factor: N/A
AEROSPACI score: 0.19 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: glucose-1-phosphate thymidylyltransferase
    Species: Salmonella enterica subsp. enterica serovar Typhimurium [TaxId:90371]
    Gene: rfbA, rmlA, STM2095
    Database cross-references and differences (RAF-indexed):
    • Uniprot P26393 (0-End)
      • engineered mutation (82)
      • variant (82)
    Domains in SCOPe 2.08: d3pkpa_
  • Chain 'B':
    Compound: glucose-1-phosphate thymidylyltransferase
    Species: Salmonella enterica subsp. enterica serovar Typhimurium [TaxId:90371]
    Gene: rfbA, rmlA, STM2095
    Database cross-references and differences (RAF-indexed):
    • Uniprot P26393
      • engineered mutation (82)
      • variant (82)
    Domains in SCOPe 2.08: d3pkpb_
  • Chain 'C':
    Compound: glucose-1-phosphate thymidylyltransferase
    Species: Salmonella enterica subsp. enterica serovar Typhimurium [TaxId:90371]
    Gene: rfbA, rmlA, STM2095
    Database cross-references and differences (RAF-indexed):
    • Uniprot P26393
      • engineered mutation (82)
      • variant (82)
    Domains in SCOPe 2.08: d3pkpc_
  • Chain 'D':
    Compound: glucose-1-phosphate thymidylyltransferase
    Species: Salmonella enterica subsp. enterica serovar Typhimurium [TaxId:90371]
    Gene: rfbA, rmlA, STM2095
    Database cross-references and differences (RAF-indexed):
    • Uniprot P26393
      • engineered mutation (82)
      • variant (82)
    Domains in SCOPe 2.08: d3pkpd_
  • Chain 'I':
    Compound: glucose-1-phosphate thymidylyltransferase
    Species: Salmonella enterica subsp. enterica serovar Typhimurium [TaxId:90371]
    Gene: rfbA, rmlA, STM2095
    Database cross-references and differences (RAF-indexed):
    • Uniprot P26393
      • engineered mutation (82)
      • variant (82)
    Domains in SCOPe 2.08: d3pkpi_
  • Chain 'J':
    Compound: glucose-1-phosphate thymidylyltransferase
    Species: Salmonella enterica subsp. enterica serovar Typhimurium [TaxId:90371]
    Gene: rfbA, rmlA, STM2095
    Database cross-references and differences (RAF-indexed):
    • Uniprot P26393
      • engineered mutation (82)
      • variant (82)
    Domains in SCOPe 2.08: d3pkpj_
  • Chain 'K':
    Compound: glucose-1-phosphate thymidylyltransferase
    Species: Salmonella enterica subsp. enterica serovar Typhimurium [TaxId:90371]
    Gene: rfbA, rmlA, STM2095
    Database cross-references and differences (RAF-indexed):
    • Uniprot P26393
      • engineered mutation (82)
      • variant (82)
    Domains in SCOPe 2.08: d3pkpk_
  • Chain 'L':
    Compound: glucose-1-phosphate thymidylyltransferase
    Species: Salmonella enterica subsp. enterica serovar Typhimurium [TaxId:90371]
    Gene: rfbA, rmlA, STM2095
    Database cross-references and differences (RAF-indexed):
    • Uniprot P26393
      • engineered mutation (82)
      • variant (82)
    Domains in SCOPe 2.08: d3pkpl_
  • Heterogens: DTP, MG, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3pkpA (A:)
    mktrkgiilaggsgtrlypvtmavskqllpiydkpmiyyplstlmlagirdiliistpqd
    tprfqqllgdgsqwglnlqykvspspdglaqafiigeefighddcalvlgdnifyghdlp
    klmeaavnkesgatvfayhvndperygvvefdqkgtavsleekplqpksnyavtglyfyd
    nsvvemaknlkpsargeleitdinriymeqgrlsvammgrgyawldtgthqslieasnfi
    atieerqglkvscpeeiafrknfinaqqvielagplskndygkyllkmvkgl
    

    Sequence, based on observed residues (ATOM records): (download)
    >3pkpA (A:)
    mktrkgiilaggsgtrlypvtmavskqllpiydkpmiyyplstlmlagirdiliistpqd
    tprfqqllgdgsqwglnlqykvspspdglaqafiigeefighddcalvlgdnifyghdlp
    klmeaavnkesgatvfayhvndperygvvefdqkgtavsleekplqpksnyavtglyfyd
    nsvvemaknlkpsargeleitdinriymeqgrlsvammgrgyawldtgthqslieasnfi
    atieerqglkvscpeeiafrknfinaqqvielagplskndygkyllkmvk
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3pkpB (B:)
    mktrkgiilaggsgtrlypvtmavskqllpiydkpmiyyplstlmlagirdiliistpqd
    tprfqqllgdgsqwglnlqykvspspdglaqafiigeefighddcalvlgdnifyghdlp
    klmeaavnkesgatvfayhvndperygvvefdqkgtavsleekplqpksnyavtglyfyd
    nsvvemaknlkpsargeleitdinriymeqgrlsvammgrgyawldtgthqslieasnfi
    atieerqglkvscpeeiafrknfinaqqvielagplskndygkyllkmvkgl
    

    Sequence, based on observed residues (ATOM records): (download)
    >3pkpB (B:)
    ktrkgiilaggsgtrlypvtmavskqllpiydkpmiyyplstlmlagirdiliistpqdt
    prfqqllgdgsqwglnlqykvspspdglaqafiigeefighddcalvlgdnifyghdlpk
    lmeaavnkesgatvfayhvndperygvvefdqkgtavsleekplqpksnyavtglyfydn
    svvemaknlkpsargeleitdinriymeqgrlsvammgrgyawldtgthqslieasnfia
    tieerqglkvscpeeiafrknfinaqqvielagplskndygkyllkmvk
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >3pkpC (C:)
    mktrkgiilaggsgtrlypvtmavskqllpiydkpmiyyplstlmlagirdiliistpqd
    tprfqqllgdgsqwglnlqykvspspdglaqafiigeefighddcalvlgdnifyghdlp
    klmeaavnkesgatvfayhvndperygvvefdqkgtavsleekplqpksnyavtglyfyd
    nsvvemaknlkpsargeleitdinriymeqgrlsvammgrgyawldtgthqslieasnfi
    atieerqglkvscpeeiafrknfinaqqvielagplskndygkyllkmvkgl
    

    Sequence, based on observed residues (ATOM records): (download)
    >3pkpC (C:)
    trkgiilaggsgtrlypvtmavskqllpiydkpmiyyplstlmlagirdiliistpqdtp
    rfqqllgdgsqwglnlqykvspspdglaqafiigeefighddcalvlgdnifyghdlpkl
    meaavnkesgatvfayhvndperygvvefdqkgtavsleekplqpksnyavtglyfydns
    vvemaknleleitdinriymeqgrlsvammgrgyawldtgthqslieasnfiatieerqg
    lkvscpeeiafrknfinaqqvielagplskndygkyllkmvk
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >3pkpD (D:)
    mktrkgiilaggsgtrlypvtmavskqllpiydkpmiyyplstlmlagirdiliistpqd
    tprfqqllgdgsqwglnlqykvspspdglaqafiigeefighddcalvlgdnifyghdlp
    klmeaavnkesgatvfayhvndperygvvefdqkgtavsleekplqpksnyavtglyfyd
    nsvvemaknlkpsargeleitdinriymeqgrlsvammgrgyawldtgthqslieasnfi
    atieerqglkvscpeeiafrknfinaqqvielagplskndygkyllkmvkgl
    

    Sequence, based on observed residues (ATOM records): (download)
    >3pkpD (D:)
    trkgiilaggsgtrlypvtmavskqllpiydkpmiyyplstlmlagirdiliistpqdtp
    rfqqllgdgsqwglnlqykvspspdglaqafiigeefighddcalvlgdnifyghdlpkl
    meaavnkesgatvfayhvndperygvvefdqkgtavsleekplqpksnyavtglyfydns
    vvemaknlkeleitdinriymeqgrlsvammgrgyawldtgthqslieasnfiatieerq
    glkvscpeeiafrknfinaqqvielagplskndygkyllkmvk
    

  • Chain 'I':
    Sequence, based on SEQRES records: (download)
    >3pkpI (I:)
    mktrkgiilaggsgtrlypvtmavskqllpiydkpmiyyplstlmlagirdiliistpqd
    tprfqqllgdgsqwglnlqykvspspdglaqafiigeefighddcalvlgdnifyghdlp
    klmeaavnkesgatvfayhvndperygvvefdqkgtavsleekplqpksnyavtglyfyd
    nsvvemaknlkpsargeleitdinriymeqgrlsvammgrgyawldtgthqslieasnfi
    atieerqglkvscpeeiafrknfinaqqvielagplskndygkyllkmvkgl
    

    Sequence, based on observed residues (ATOM records): (download)
    >3pkpI (I:)
    ktrkgiilaggsgtrlypvtmavskqllpiydkpmiyyplstlmlagirdiliistpqdt
    prfqqllgdgsqwglnlqykvspspdglaqafiigeefighddcalvlgdnifyghdlpk
    lmeaavnkesgatvfayhvndperygvvefdqkgtavsleekplqpksnyavtglyfydn
    svvemaknlkpsargeleitdinriymeqgrlsvammgrgyawldtgthqslieasnfia
    tieerqglkvscpeeiafrknfinaqqvielagplskndygkyllkmvk
    

  • Chain 'J':
    Sequence, based on SEQRES records: (download)
    >3pkpJ (J:)
    mktrkgiilaggsgtrlypvtmavskqllpiydkpmiyyplstlmlagirdiliistpqd
    tprfqqllgdgsqwglnlqykvspspdglaqafiigeefighddcalvlgdnifyghdlp
    klmeaavnkesgatvfayhvndperygvvefdqkgtavsleekplqpksnyavtglyfyd
    nsvvemaknlkpsargeleitdinriymeqgrlsvammgrgyawldtgthqslieasnfi
    atieerqglkvscpeeiafrknfinaqqvielagplskndygkyllkmvkgl
    

    Sequence, based on observed residues (ATOM records): (download)
    >3pkpJ (J:)
    ktrkgiilaggsgtrlypvtmavskqllpiydkpmiyyplstlmlagirdiliistpqdt
    prfqqllgdgsqwglnlqykvspspdglaqafiigeefighddcalvlgdnifyghdlpk
    lmeaavnkesgatvfayhvndperygvvefdqkgtavsleekplqpksnyavtglyfydn
    svvemaknlkpsargeleitdinriymeqgrlsvammgrgyawldtgthqslieasnfia
    tieerqglkvscpeeiafrknfinaqqvielagplskndygkyllkmvk
    

  • Chain 'K':
    Sequence, based on SEQRES records: (download)
    >3pkpK (K:)
    mktrkgiilaggsgtrlypvtmavskqllpiydkpmiyyplstlmlagirdiliistpqd
    tprfqqllgdgsqwglnlqykvspspdglaqafiigeefighddcalvlgdnifyghdlp
    klmeaavnkesgatvfayhvndperygvvefdqkgtavsleekplqpksnyavtglyfyd
    nsvvemaknlkpsargeleitdinriymeqgrlsvammgrgyawldtgthqslieasnfi
    atieerqglkvscpeeiafrknfinaqqvielagplskndygkyllkmvkgl
    

    Sequence, based on observed residues (ATOM records): (download)
    >3pkpK (K:)
    ktrkgiilaggsgtrlypvtmavskqllpiydkpmiyyplstlmlagirdiliistpqdt
    prfqqllgdgsqwglnlqykvspspdglaqafiigeefighddcalvlgdnifyghdlpk
    lmeaavatvfayhvndperygvvefdqkgtavsleekplqpksnyavtglyfydnsvvem
    aknlkpsargeleitdinriymeqgrlsvammgrgyawldtgthqslieasnfiatieer
    qglkvscpeeiafrknfinaqqvielagplskndygkyllkmvk
    

  • Chain 'L':
    Sequence, based on SEQRES records: (download)
    >3pkpL (L:)
    mktrkgiilaggsgtrlypvtmavskqllpiydkpmiyyplstlmlagirdiliistpqd
    tprfqqllgdgsqwglnlqykvspspdglaqafiigeefighddcalvlgdnifyghdlp
    klmeaavnkesgatvfayhvndperygvvefdqkgtavsleekplqpksnyavtglyfyd
    nsvvemaknlkpsargeleitdinriymeqgrlsvammgrgyawldtgthqslieasnfi
    atieerqglkvscpeeiafrknfinaqqvielagplskndygkyllkmvkgl
    

    Sequence, based on observed residues (ATOM records): (download)
    >3pkpL (L:)
    ktrkgiilaggsgtrlypvtmavskqllpiydkpmiyyplstlmlagirdiliistpqdt
    prfqqllgdgsqwglnlqykvspspdglaqafiigeefighddcalvlgdnifyghdlpk
    lmeaavnkesgatvfayhvndperygvvefdqkgtavsleekplqpksnyavtglyfydn
    svvemaknlkeleitdinriymeqgrlsvammgrgyawldtgthqslieasnfiatieer
    qglkvscpeeiafrknfinaqqvielagplskndygkyllkmvk