PDB entry 1pl0

View 1pl0 on RCSB PDB site
Description: Crystal structure of human ATIC in complex with folate-based inhibitor, BW2315U89UC
Class: transferase, hydrolase
Keywords: human ATIC, AICAR, AICAR transformylase, IMP Cyclohydrolase, xanthosine monophosphate, folate-based inhibitor, BW2315U89UC, TRANSFERASE, HYDROLASE
Deposited on 2003-06-06, released 2004-04-27
The last revision prior to the SCOPe 2.08 freeze date was dated 2009-02-24, with a file datestamp of 2009-03-01.
Experiment type: XRAY
Resolution: 2.6 Å
R-factor: 0.213
AEROSPACI score: 0.28 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Bifunctional purine biosynthesis protein PURH
    Species: Homo sapiens [TaxId:9606]
    Gene: ATIC
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d1pl0a1, d1pl0a2
  • Chain 'B':
    Compound: Bifunctional purine biosynthesis protein PURH
    Species: Homo sapiens [TaxId:9606]
    Gene: ATIC
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d1pl0b1, d1pl0b2
  • Chain 'C':
    Compound: Bifunctional purine biosynthesis protein PURH
    Species: Homo sapiens [TaxId:9606]
    Gene: ATIC
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d1pl0c1, d1pl0c2
  • Chain 'D':
    Compound: Bifunctional purine biosynthesis protein PURH
    Species: Homo sapiens [TaxId:9606]
    Gene: ATIC
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d1pl0d1, d1pl0d2
  • Heterogens: K, AMZ, BW2, XMP, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >1pl0A (A:)
mapgqlalfsvsdktglvefarnltalglnlvasggtakalrdaglavrdvseltgfpem
lggrvktlhpavhagilarnipednadmarldfnlirvvacnlypfvktvaspgvtveea
veqidiggvtllraaaknharvtvvcepedyvvvstemqsseskdtsletrrqlalkaft
htaqydeaisdyfrkqyskgvsqmplrygmnphqtpaqlytlqpklpitvlngapgfinl
cdalnawqlvkelkealgipaaasfkhvspagaavgiplsedeakvcmvydlyktltpis
aayarargadrmssfgdfvalsdvcdvptakiisrevsdgiiapgyeeealtilskkkng
nycvlqmdqsykpdenevrtlfglhlsqkrnngvvdkslfsnvvtknkdlpesalrdliv
atiavkytqsnsvcyakngqvigigagqqsrihctrlagdkanywwlrhhpqvlsmkfkt
gvkraeisnaidqyvtgtigededlikwkalfeevpellteaekkewvekltevsissda
ffpfrdnvdrakrsgvayiaapsgsaadkvvieacdelgiilahtnlrlfhh

    Sequence, based on observed residues (ATOM records): (download) 
    >1pl0A (A:)
gqlalfsvsdktglvefarnltalglnlvasggtakalrdaglavrdvseltgfpemlgg
rvktlhpavhagilarnipednadmarldfnlirvvacnlypfvktvaspgvtveeaveq
idiggvtllraaaknharvtvvcepedyvvvstemqsseskdtsletrrqlalkafthta
qydeaisdyfrkqyskgvsqmplrygmnphqtpaqlytlqpklpitvlngapgfinlcda
lnawqlvkelkealgipaaasfkhvspagaavgiplsedeakvcmvydlyktltpisaay
arargadrmssfgdfvalsdvcdvptakiisrevsdgiiapgyeeealtilskkkngnyc
vlqmdqsykpdenevrtlfglhlsqkrnngvvdkslfsnvvtknkdlpesalrdlivati
avkytqsnsvcyakngqvigigagqqsrihctrlagdkanywwlrhhpqvlsmkfktgvk
raeisnaidqyvtgtigededlikwkalfeevpellteaekkewvekltevsissdaffp
frdnvdrakrsgvayiaapsgsaadkvvieacdelgiilahtnlrlfhh

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >1pl0B (B:)
mapgqlalfsvsdktglvefarnltalglnlvasggtakalrdaglavrdvseltgfpem
lggrvktlhpavhagilarnipednadmarldfnlirvvacnlypfvktvaspgvtveea
veqidiggvtllraaaknharvtvvcepedyvvvstemqsseskdtsletrrqlalkaft
htaqydeaisdyfrkqyskgvsqmplrygmnphqtpaqlytlqpklpitvlngapgfinl
cdalnawqlvkelkealgipaaasfkhvspagaavgiplsedeakvcmvydlyktltpis
aayarargadrmssfgdfvalsdvcdvptakiisrevsdgiiapgyeeealtilskkkng
nycvlqmdqsykpdenevrtlfglhlsqkrnngvvdkslfsnvvtknkdlpesalrdliv
atiavkytqsnsvcyakngqvigigagqqsrihctrlagdkanywwlrhhpqvlsmkfkt
gvkraeisnaidqyvtgtigededlikwkalfeevpellteaekkewvekltevsissda
ffpfrdnvdrakrsgvayiaapsgsaadkvvieacdelgiilahtnlrlfhh

    Sequence, based on observed residues (ATOM records): (download) 
    >1pl0B (B:)
gqlalfsvsdktglvefarnltalglnlvasggtakalrdaglavrdvseltgfpemlgg
rvktlhpavhagilarnipednadmarldfnlirvvacnlypfvktvaspgvtveeaveq
idiggvtllraaaknharvtvvcepedyvvvstemqsseskdtsletrrqlalkafthta
qydeaisdyfrkqyskgvsqmplrygmnphqtpaqlytlqpklpitvlngapgfinlcda
lnawqlvkelkealgipaaasfkhvspagaavgiplsedeakvcmvydlyktltpisaay
arargadrmssfgdfvalsdvcdvptakiisrevsdgiiapgyeeealtilskkkngnyc
vlqmdqsykpdenevrtlfglhlsqkrnngvvdkslfsnvvtknkdlpesalrdlivati
avkytqsnsvcyakngqvigigagqqsrihctrlagdkanywwlrhhpqvlsmkfktgva
eisnaidqyvtgtigededlikwkalfeevpellteaekkewvekltevsissdaffpfr
dnvdrakrsgvayiaapsgsaadkvvieacdelgiilahtnlrlfhh

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >1pl0C (C:)
mapgqlalfsvsdktglvefarnltalglnlvasggtakalrdaglavrdvseltgfpem
lggrvktlhpavhagilarnipednadmarldfnlirvvacnlypfvktvaspgvtveea
veqidiggvtllraaaknharvtvvcepedyvvvstemqsseskdtsletrrqlalkaft
htaqydeaisdyfrkqyskgvsqmplrygmnphqtpaqlytlqpklpitvlngapgfinl
cdalnawqlvkelkealgipaaasfkhvspagaavgiplsedeakvcmvydlyktltpis
aayarargadrmssfgdfvalsdvcdvptakiisrevsdgiiapgyeeealtilskkkng
nycvlqmdqsykpdenevrtlfglhlsqkrnngvvdkslfsnvvtknkdlpesalrdliv
atiavkytqsnsvcyakngqvigigagqqsrihctrlagdkanywwlrhhpqvlsmkfkt
gvkraeisnaidqyvtgtigededlikwkalfeevpellteaekkewvekltevsissda
ffpfrdnvdrakrsgvayiaapsgsaadkvvieacdelgiilahtnlrlfhh

    Sequence, based on observed residues (ATOM records): (download) 
    >1pl0C (C:)
qlalfsvsdktglvefarnltalglnlvasggtakalrdaglavrdvseltgfpemlggr
vktlhpavhagilarnipednadmarldfnlirvvacnlypfvktvaspgvtveeaveqi
diggvtllraaaknharvtvvcepedyvvvstemqsseskdtsletrrqlalkafthtaq
ydeaisdyfrkqyskgvsqmplrygmnphqtpaqlytlqpklpitvlngapgfinlcdal
nawqlvkelkealgipaaasfkhvspagaavgiplsedeakvcmvydlyktltpisaaya
rargadrmssfgdfvalsdvcdvptakiisrevsdgiiapgyeeealtilskkkngnycv
lqmdqsykpdenevrtlfglhlsqkrnngvvdkslfsnvvtknkdlpesalrdlivatia
vkytqsnsvcyakngqvigigagqqsrihctrlagdkanywwlrhhpqvlsmkfktgaei
snaidqyvtgtigededlikwkalfeevpellteaekkewvekltevsissdaffpfrdn
vdrakrsgvayiaapsgsaadkvvieacdelgiilahtnlrlfhh

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >1pl0D (D:)
mapgqlalfsvsdktglvefarnltalglnlvasggtakalrdaglavrdvseltgfpem
lggrvktlhpavhagilarnipednadmarldfnlirvvacnlypfvktvaspgvtveea
veqidiggvtllraaaknharvtvvcepedyvvvstemqsseskdtsletrrqlalkaft
htaqydeaisdyfrkqyskgvsqmplrygmnphqtpaqlytlqpklpitvlngapgfinl
cdalnawqlvkelkealgipaaasfkhvspagaavgiplsedeakvcmvydlyktltpis
aayarargadrmssfgdfvalsdvcdvptakiisrevsdgiiapgyeeealtilskkkng
nycvlqmdqsykpdenevrtlfglhlsqkrnngvvdkslfsnvvtknkdlpesalrdliv
atiavkytqsnsvcyakngqvigigagqqsrihctrlagdkanywwlrhhpqvlsmkfkt
gvkraeisnaidqyvtgtigededlikwkalfeevpellteaekkewvekltevsissda
ffpfrdnvdrakrsgvayiaapsgsaadkvvieacdelgiilahtnlrlfhh

    Sequence, based on observed residues (ATOM records): (download) 
    >1pl0D (D:)
gqlalfsvsdktglvefarnltalglnlvasggtakalrdaglavrdvseltgfpemlgg
rvktlhpavhagilarnipednadmarldfnlirvvacnlypfvktvaspgvtveeaveq
idiggvtllraaaknharvtvvcepedyvvvstemqsseskdtsletrrqlalkafthta
qydeaisdyfrkqyskgvsqmplrygmnphqtpaqlytlqpklpitvlngapgfinlcda
lnawqlvkelkealgipaaasfkhvspagaavgiplsedeakvcmvydlyktltpisaay
arargadrmssfgdfvalsdvcdvptakiisrevsdgiiapgyeeealtilskkkngnyc
vlqmdqsykpdenevrtlfglhlsqkrnngvvdkslfsnvvtknkdlpesalrdlivati
avkytqsnsvcyakngqvigigagqqsrihctrlagdkanywwlrhhpqvlsmisnaidq
yvtgtigededlikwkalfeevpellteaekkewvekltevsissdaffpfrdnvdrakr
sgvayiaapsgsaadkvvieacdelgiilahtnlrlfhh