PDB entry 4wkg

View 4wkg on RCSB PDB site
Description: The crystal structure of apo ArnA features an unexpected central binding pocket and provides an explanation for enzymatic coop-erativity
Class: transferase
Keywords: ArnA, multi-drug resistance, MDR, polymyxin, dehydrogenase, transformylase, cooperativity, allosteric regulation, transferase
Deposited on 2014-10-02, released 2014-12-17
The last revision prior to the SCOPe 2.06 freeze date was dated 2015-03-11, with a file datestamp of 2015-03-06.
Experiment type: XRAY
Resolution: 2.7 Å
R-factor: N/A
AEROSPACI score: 0.18 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Bifunctional polymyxin resistance protein ArnA
    Species: Escherichia coli [TaxId:83333]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4wkga1, d4wkga2, d4wkga3
  • Chain 'B':
    Compound: Bifunctional polymyxin resistance protein ArnA
    Species: Escherichia coli [TaxId:83333]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4wkgb1, d4wkgb2, d4wkgb3
  • Chain 'C':
    Compound: Bifunctional polymyxin resistance protein ArnA
    Species: Escherichia coli [TaxId:83333]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4wkgc1, d4wkgc2, d4wkgc3
  • Chain 'D':
    Compound: Bifunctional polymyxin resistance protein ArnA
    Species: Escherichia coli [TaxId:83333]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4wkgd1, d4wkgd2
  • Chain 'E':
    Compound: Bifunctional polymyxin resistance protein ArnA
    Species: Escherichia coli [TaxId:83333]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4wkge1, d4wkge2
  • Chain 'F':
    Compound: Bifunctional polymyxin resistance protein ArnA
    Species: Escherichia coli [TaxId:83333]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4wkgf1, d4wkgf2, d4wkgf3
  • Heterogens: DTT, ACT, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4wkgA (A:)
    mktvvfayhdmgclgieallaagyeisaifthtdnpgekafygsvarlaaergipvyapd
    nvnhplwveriaqlspdvifsfyyrhliydeilqlapagafnlhgsllpkyrgraplnwv
    lvngetetgvtlhrmvkradagaivaqlriaiapddiaitlhhklchaarqlleqtlpai
    khgnileiaqreneatcfgrrtpddsflewhkpasvlhnmvravadpwpgafsyvgnqkf
    tvwssrvhphaskaqpgsvisvaplliacgdgaleivtgqagdgitmqgsqlaqtlglvq
    gsrlnsqpactarrrtrvlilgvngfignhlterllredhyevygldigsdaisrflnhp
    hfhfvegdisihsewieyhvkkcdvvlplvaiatpieytrnplrvfeldfeenlriiryc
    vkyrkriifpstsevygmcsdkyfdedhsnlivgpvnkprwiysvskqlldrviwaygek
    eglqftlfrpfnwmgprldnlnaarigssraitqlilnlvegspiklidggkqkrcftdi
    rdgiealyriienagnrcdgeiinignpeneasieelgemllasfekhplrhhfppfagf
    rvvesssyygkgyqdvehrkpsirnahrcldwepkidmqetidetldfflrtvdltdkps
    

    Sequence, based on observed residues (ATOM records): (download)
    >4wkgA (A:)
    mktvvfayhdmgclgieallaagyeisaifthtdnpfygsvarlaaergipvyapdnvnh
    plwveriaqlspdvifsfyyrhliydeilqlapagafnlhgsllpkyrgraplnwvlvng
    etetgvtlhrmvkradagaivaqlriaiapddiaitlhhklchaarqlleqtlpaikhgn
    ileiaqreneatcfgrrtpddsflewhkpasvlhnmvravadpwpgafsyvgnqkftvws
    srvhphaskaqpgsvisvaplliacgdgaleivtgqagdgitmqgsqlaqtlglvqgsrl
    rrtrvlilgvngfignhlterllredhyevygldigsdaisrflnhphfhfvegdisihs
    ewieyhvkkcdvvlplvaiatpieytrnplrvfeldfeenlriirycvkyrkriifpsts
    evygmcsdkyfdedhsnlivgpvnkprwiysvskqlldrviwaygekeglqftlfrpfnw
    mgprldnlnaarigssraitqlilnlvegspiklidggkqkrcftdirdgiealyriien
    agnrcdgeiinignpeneasieelgemllasfekhplrhhfppfagfrvvesssdvehrk
    psirnahrcldwepkidmqetidetldfflrtvdlt
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4wkgB (B:)
    mktvvfayhdmgclgieallaagyeisaifthtdnpgekafygsvarlaaergipvyapd
    nvnhplwveriaqlspdvifsfyyrhliydeilqlapagafnlhgsllpkyrgraplnwv
    lvngetetgvtlhrmvkradagaivaqlriaiapddiaitlhhklchaarqlleqtlpai
    khgnileiaqreneatcfgrrtpddsflewhkpasvlhnmvravadpwpgafsyvgnqkf
    tvwssrvhphaskaqpgsvisvaplliacgdgaleivtgqagdgitmqgsqlaqtlglvq
    gsrlnsqpactarrrtrvlilgvngfignhlterllredhyevygldigsdaisrflnhp
    hfhfvegdisihsewieyhvkkcdvvlplvaiatpieytrnplrvfeldfeenlriiryc
    vkyrkriifpstsevygmcsdkyfdedhsnlivgpvnkprwiysvskqlldrviwaygek
    eglqftlfrpfnwmgprldnlnaarigssraitqlilnlvegspiklidggkqkrcftdi
    rdgiealyriienagnrcdgeiinignpeneasieelgemllasfekhplrhhfppfagf
    rvvesssyygkgyqdvehrkpsirnahrcldwepkidmqetidetldfflrtvdltdkps
    

    Sequence, based on observed residues (ATOM records): (download)
    >4wkgB (B:)
    mktvvfayhdmgclgieallaagyeisaifthtdnpfygsvarlaaergipvyapdnvnh
    plwveriaqlspdvifsfyyrhliydeilqlapagafnlhgsllpkyrgraplnwvlvng
    etetgvtlhrmvkradagaivaqlriaiapddiaitlhhklchaarqlleqtlpaikhgn
    ileiaqreneatcfgrrtpddsflewhkpasvlhnmvravadpwpgafsyvgnqkftvws
    srvhphaskaqpgsvisvaplliacgdgaleivtgqagdgitmqgsqlaqtlglvqgsrl
    rrtrvlilgvngfignhlterllredhyevygldigsdaisrflnhphfhfvegdisihs
    ewieyhvkkcdvvlplvaiatpieytrnplrvfeldfeenlriirycvkyrkriifpsts
    evygmcsdkyfdedhsnlivgpvnkprwiysvskqlldrviwaygekeglqftlfrpfnw
    mgprldnlnaarigssraitqlilnlvegspiklidggkqkrcftdirdgiealyriien
    agnrcdgeiinignpeneasieelgemllasfekhplrhhfppfagfrvvesssyygkgy
    qdvehrkpsirnahrcldwepkidmqetidetldfflrtvdlt
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >4wkgC (C:)
    mktvvfayhdmgclgieallaagyeisaifthtdnpgekafygsvarlaaergipvyapd
    nvnhplwveriaqlspdvifsfyyrhliydeilqlapagafnlhgsllpkyrgraplnwv
    lvngetetgvtlhrmvkradagaivaqlriaiapddiaitlhhklchaarqlleqtlpai
    khgnileiaqreneatcfgrrtpddsflewhkpasvlhnmvravadpwpgafsyvgnqkf
    tvwssrvhphaskaqpgsvisvaplliacgdgaleivtgqagdgitmqgsqlaqtlglvq
    gsrlnsqpactarrrtrvlilgvngfignhlterllredhyevygldigsdaisrflnhp
    hfhfvegdisihsewieyhvkkcdvvlplvaiatpieytrnplrvfeldfeenlriiryc
    vkyrkriifpstsevygmcsdkyfdedhsnlivgpvnkprwiysvskqlldrviwaygek
    eglqftlfrpfnwmgprldnlnaarigssraitqlilnlvegspiklidggkqkrcftdi
    rdgiealyriienagnrcdgeiinignpeneasieelgemllasfekhplrhhfppfagf
    rvvesssyygkgyqdvehrkpsirnahrcldwepkidmqetidetldfflrtvdltdkps
    

    Sequence, based on observed residues (ATOM records): (download)
    >4wkgC (C:)
    mktvvfayhdmgclgieallaagyeisaifthtdnpygsvarlaaergipvyapdnvnhp
    lwveriaqlspdvifsfyyrhliydeilqlapagafnlhgsllpkyrgraplnwvlvnge
    tetgvtlhrmvkradagaivaqlriaiapddiaitlhhklchaarqlleqtlpaikhgni
    leiaqreneatcfgrrtpddsflewhkpasvlhnmvravadpwpgafsyvgnqkftvwss
    rvhphaskaqpgsvisvaplliacgdgaleivtgqagdgitmqgsqlaqtlglvqgsrlr
    rtrvlilgvngfignhlterllredhyevygldigsdaisrflnhphfhfvegdisihse
    wieyhvkkcdvvlplvaiatpieytrnplrvfeldfeenlriirycvkyrkriifpstse
    vygmcsdkyfdedhsnlivgpvnkprwiysvskqlldrviwaygekeglqftlfrpfnwm
    gprldnlnaarigssraitqlilnlvegspiklidggkqkrcftdirdgiealyriiena
    gnrcdgeiinignpeneasieelgemllasfekhplrhhfppfagfrvvesssyqdvehr
    kpsirnahrcldwepkidmqetidetldfflrtvdlt
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >4wkgD (D:)
    mktvvfayhdmgclgieallaagyeisaifthtdnpgekafygsvarlaaergipvyapd
    nvnhplwveriaqlspdvifsfyyrhliydeilqlapagafnlhgsllpkyrgraplnwv
    lvngetetgvtlhrmvkradagaivaqlriaiapddiaitlhhklchaarqlleqtlpai
    khgnileiaqreneatcfgrrtpddsflewhkpasvlhnmvravadpwpgafsyvgnqkf
    tvwssrvhphaskaqpgsvisvaplliacgdgaleivtgqagdgitmqgsqlaqtlglvq
    gsrlnsqpactarrrtrvlilgvngfignhlterllredhyevygldigsdaisrflnhp
    hfhfvegdisihsewieyhvkkcdvvlplvaiatpieytrnplrvfeldfeenlriiryc
    vkyrkriifpstsevygmcsdkyfdedhsnlivgpvnkprwiysvskqlldrviwaygek
    eglqftlfrpfnwmgprldnlnaarigssraitqlilnlvegspiklidggkqkrcftdi
    rdgiealyriienagnrcdgeiinignpeneasieelgemllasfekhplrhhfppfagf
    rvvesssyygkgyqdvehrkpsirnahrcldwepkidmqetidetldfflrtvdltdkps
    

    Sequence, based on observed residues (ATOM records): (download)
    >4wkgD (D:)
    mktvvfayhdmgclgieallaagyeisaifthtdnpfygsvarlaaergipvyapdnvnh
    plwveriaqlspdvifsfyyrhliydeilqlapagafnlhgsllpkyrgraplnwvlvng
    etetgvtlhrmvadagaivaqlriaiapddiaitlhhklchaarqlleqtlpaikhgnil
    eiaqreneatcfgrrtpddsflewhkpasvlhnmvravadpwpgafsyvgnqkftvwssr
    vhphaskaqpgsvisvaplliacgdgaleivtgqagdgitmqgsqlaqtlglvqgsrlrr
    rtrvlilgvngfignhlterllredhyevygldigsdaisrflnhphfhfvegdisihse
    wieyhvkkcdvvlplvaiatpieytrnplrvfeldfeenlriirycvkyrkriifpstse
    vygmcsdkyfdedhsnlivgpvnkprwiysvskqlldrviwaygekeglqftlfrpfnwm
    gprldnlnaarigssraitqlilnlvegspiklidggkqkrcftdirdgiealyriiena
    gnrcdgeiinignpeneasieelgemllasfekhplrhhfppfagfrvvesssyygkgyq
    dvehrkpsirnahrcldwepkidmqetidetldfflrtvdl
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >4wkgE (E:)
    mktvvfayhdmgclgieallaagyeisaifthtdnpgekafygsvarlaaergipvyapd
    nvnhplwveriaqlspdvifsfyyrhliydeilqlapagafnlhgsllpkyrgraplnwv
    lvngetetgvtlhrmvkradagaivaqlriaiapddiaitlhhklchaarqlleqtlpai
    khgnileiaqreneatcfgrrtpddsflewhkpasvlhnmvravadpwpgafsyvgnqkf
    tvwssrvhphaskaqpgsvisvaplliacgdgaleivtgqagdgitmqgsqlaqtlglvq
    gsrlnsqpactarrrtrvlilgvngfignhlterllredhyevygldigsdaisrflnhp
    hfhfvegdisihsewieyhvkkcdvvlplvaiatpieytrnplrvfeldfeenlriiryc
    vkyrkriifpstsevygmcsdkyfdedhsnlivgpvnkprwiysvskqlldrviwaygek
    eglqftlfrpfnwmgprldnlnaarigssraitqlilnlvegspiklidggkqkrcftdi
    rdgiealyriienagnrcdgeiinignpeneasieelgemllasfekhplrhhfppfagf
    rvvesssyygkgyqdvehrkpsirnahrcldwepkidmqetidetldfflrtvdltdkps
    

    Sequence, based on observed residues (ATOM records): (download)
    >4wkgE (E:)
    mktvvfayhdmgclgieallaagyeisaifthtdnpfygsvarlaaergipvyapdnvnh
    plwveriaqlspdvifsfyyrhliydeilqlapagafnlhgsllpkyrgraplnwvlvng
    etetgvtlhrmvkradagaivaqlriaiapddiaitlhhklchaarqlleqtlpaikhgn
    ileiaqreneatcfgrrtpddsflewhkpasvlhnmvravadpwpgafsyvgnqkftvws
    srvhphaskaqpgsvisvaplliacgdgaleivtgqagdgitmqgsqlaqtlglvqgsrl
    rrtrvlilgvngfignhlterllredhyevygldigsdaisrflnhphfhfvegdisihs
    ewieyhvkkcdvvlplvaiatpieytrnplrvfeldfeenlriirycvkyrkriifpsts
    evygmcsdkyfdedhsnlivgpvnkprwiysvskqlldrviwaygekeglqftlfrpfnw
    mgprldnlnaarigssraitqlilnlvegspiklidggkqkrcftdirdgiealyriien
    agnrcdgeiinignpeneasieelgemllasfekhplrhhfppfagfrvvesssyygkgy
    qdvehrkpsirnahrcldwepkidmqetidetldfflrtvdlt
    

  • Chain 'F':
    Sequence, based on SEQRES records: (download)
    >4wkgF (F:)
    mktvvfayhdmgclgieallaagyeisaifthtdnpgekafygsvarlaaergipvyapd
    nvnhplwveriaqlspdvifsfyyrhliydeilqlapagafnlhgsllpkyrgraplnwv
    lvngetetgvtlhrmvkradagaivaqlriaiapddiaitlhhklchaarqlleqtlpai
    khgnileiaqreneatcfgrrtpddsflewhkpasvlhnmvravadpwpgafsyvgnqkf
    tvwssrvhphaskaqpgsvisvaplliacgdgaleivtgqagdgitmqgsqlaqtlglvq
    gsrlnsqpactarrrtrvlilgvngfignhlterllredhyevygldigsdaisrflnhp
    hfhfvegdisihsewieyhvkkcdvvlplvaiatpieytrnplrvfeldfeenlriiryc
    vkyrkriifpstsevygmcsdkyfdedhsnlivgpvnkprwiysvskqlldrviwaygek
    eglqftlfrpfnwmgprldnlnaarigssraitqlilnlvegspiklidggkqkrcftdi
    rdgiealyriienagnrcdgeiinignpeneasieelgemllasfekhplrhhfppfagf
    rvvesssyygkgyqdvehrkpsirnahrcldwepkidmqetidetldfflrtvdltdkps
    

    Sequence, based on observed residues (ATOM records): (download)
    >4wkgF (F:)
    mktvvfayhdmgclgieallaagyeisaifthtdnpfygsvarlaaergipvyapdnvnh
    plwveriaqlspdvifsfyyrhliydeilqlapagafnlhgsllpkyrgraplnwvlvng
    etetgvtlhrmvkradagaivaqlriaiapddiaitlhhklchaarqlleqtlpaikhgn
    ileiaqreneatcfgrrtpddsflewhkpasvlhnmvravadpwpgafsyvgnqkftvws
    srvhphaskaqpgsvisvaplliacgdgaleivtgqagdgitmqgsqlaqtlglvqgsrl
    rrtrvlilgvngfignhlterllredhyevygldigsdaisrflnhphfhfvegdisihs
    ewieyhvkkcdvvlplvaiatpieytrnplrvfeldfeenlriirycvkyrkriifpsts
    evygmcsdkyfdedhsnlivgpvnkprwiysvskqlldrviwaygekeglqftlfrpfnw
    mgprldnlnaarigssraitqlilnlvegspiklidggkqkrcftdirdgiealyriien
    agnrcdgeiinignpeneasieelgemllasfekhplrhhfppfagfrvvesssqdvehr
    kpsirnahrcldwepkidmqetidetldfflrtvdlt