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 2.08 freeze date was dated 2016-07-20, with a file datestamp of 2016-07-15.
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 2.08: 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 2.08: 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 2.08: 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 2.08: 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 2.08: 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 2.08: 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