PDB entry 2xpk

View 2xpk on RCSB PDB site
Description: cell-penetrant, nanomolar o-glcnacase inhibitors selective against lysosomal hexosaminidases
Class: hydrolase
Keywords: hydrolase, signalling
Deposited on 2010-08-26, released 2011-03-16
The last revision prior to the SCOPe 2.06 freeze date was dated 2011-03-16, with a file datestamp of 2011-03-11.
Experiment type: XRAY
Resolution: 2.4 Å
R-factor: 0.19608
AEROSPACI score: 0.34 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: O-GlcNAcase nagJ
    Species: Clostridium perfringens [TaxId:1502]
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q0TR53 (Start-593)
      • engineered mutation (300)
      • see remark 999 (357)
    Domains in SCOPe 2.06: d2xpka1, d2xpka2, d2xpka3
  • Chain 'B':
    Compound: O-GlcNAcase nagJ
    Species: Clostridium perfringens [TaxId:1502]
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q0TR53 (Start-593)
      • engineered mutation (300)
      • see remark 999 (357)
    Domains in SCOPe 2.06: d2xpkb1, d2xpkb2, d2xpkb3
  • Heterogens: Z0M, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >2xpkA (A:)
vgpktgeenqvlvpnlnptpenlevvgdgfkitssinlvgeeeadenavnalrefltann
ieinsendpnsttliigevdddipeldealngttaenlkeegyalvsndgkiaiegkdgd
gtfygvqtfkqlvkesnipevnitdyptvsargivegfygtpwthqdrldqikfygenkl
ntyiyapkddpyhrekwrepypesemqrmqelinasaenkvdfvfgispgidirfdgdag
eedfnhlitkaeslydmgvrsfaiywddiqdksaakhaqvlnrfneefvkakgdvkplit
cpteydtgamvsngqpraytrifaetvdpsievmwtgpgvvtneiplsdaqlisgiydrn
mavwwnypvtdyfkgklalgpmhgldkglnqyvdfftvnpmehaelskisihtaadyswn
mdnydydkawnraidmlygdlaedmkvfanhstrmdnktwaksgredapelrakmdelwn
klsskedasalieelygefarmeeacnnlkanlpevaleecsrqldelitlaqgdkasld
mivaqlnedteayesakeiaqnklntalssfavisekvaqsfiqealsfdltli

    Sequence, based on observed residues (ATOM records): (download) 
    >2xpkA (A:)
qvlvpnlnptpenlevvgdgfkitssinlvgeeeadenavnalrefltannieinsendp
nsttliigevdddipeldealngttaenlkeegyalvsndgkiaiegkdgdgtfygvqtf
kqlvkesnipevnitdyptvsargivegfygtpwthqdrldqikfygenklntyiyapkd
dpyhrekwrepypesemqrmqelinasaenkvdfvfgispgidirfdgdageedfnhlit
kaeslydmgvrsfaiywddiqdksaakhaqvlnrfneefvkakgdvkplitcpteydtga
mvsngqpraytrifaetvdpsievmwtgpgvvtneiplsdaqlisgiydrnmavwwnypv
tdyfkgklalgpmhgldkglnqyvdfftvnpmehaelskisihtaadyswnmdnydydka
wnraidmlygdlaedmkvfanhstrmdnktwaksgredapelrakmdelwnklsskedas
alieelygefarmeeacnnlkanlpevaleecsrqldelitlaqgdkasldmivaqlned
teayesakeiaqnklntalssfavisekvaqsfiqealsfdltli

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >2xpkB (B:)
vgpktgeenqvlvpnlnptpenlevvgdgfkitssinlvgeeeadenavnalrefltann
ieinsendpnsttliigevdddipeldealngttaenlkeegyalvsndgkiaiegkdgd
gtfygvqtfkqlvkesnipevnitdyptvsargivegfygtpwthqdrldqikfygenkl
ntyiyapkddpyhrekwrepypesemqrmqelinasaenkvdfvfgispgidirfdgdag
eedfnhlitkaeslydmgvrsfaiywddiqdksaakhaqvlnrfneefvkakgdvkplit
cpteydtgamvsngqpraytrifaetvdpsievmwtgpgvvtneiplsdaqlisgiydrn
mavwwnypvtdyfkgklalgpmhgldkglnqyvdfftvnpmehaelskisihtaadyswn
mdnydydkawnraidmlygdlaedmkvfanhstrmdnktwaksgredapelrakmdelwn
klsskedasalieelygefarmeeacnnlkanlpevaleecsrqldelitlaqgdkasld
mivaqlnedteayesakeiaqnklntalssfavisekvaqsfiqealsfdltli

    Sequence, based on observed residues (ATOM records): (download) 
    >2xpkB (B:)
qvlvpnlnptpenlevvgdgfkitssinlvgeeeadenavnalrefltannieinsendp
nsttliigevdddipeldealngttaenlkeegyalvsndgkiaiegkdgdgtfygvqtf
kqlvkesnipevnitdyptvsargivegfygtpwthqdrldqikfygenklntyiyapkd
dpyhrekwrepypesemqrmqelinasaenkvdfvfgispgidirfdgdageedfnhlit
kaeslydmgvrsfaiywddiqdksaakhaqvlnrfneefvkakgdvkplitcpteydtga
mvsngqpraytrifaetvdpsievmwtgpgvvtneiplsdaqlisgiydrnmavwwnypv
tdyfkgklalgpmhgldkglnqyvdfftvnpmehaelskisihtaadyswnmdnydydka
wnraidmlygdlaedmkvfanhstrmdnktwaksgredapelrakmdelwnklsskedas
alieelygefarmeeacnnlkanlpevaleecsrqldelitlaqgdkasldmivaqlned
teayesakeiaqnklntalssfavisekvaqsfiqealsfdltli