PDB entry 1thz

View 1thz on RCSB PDB site
Description: Crystal Structure of Avian AICAR Transformylase in Complex with a Novel Inhibitor Identified by Virtual Ligand Screening
Class: transferase, hydrolase
Keywords: ATIC, Virtual Ligand Screening, Purine biosynthesis, Cancer Target, TRANSFERASE, HYDROLASE
Deposited on 2004-06-01, released 2004-09-07
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: 1.8 Å
R-factor: 0.214
AEROSPACI score: 0.48 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Bifunctional purine biosynthesis protein PURH
    Species: Gallus gallus [TaxId:9031]
    Gene: ATIC, PURH
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d1thza1, d1thza2
  • Chain 'B':
    Compound: Bifunctional purine biosynthesis protein PURH
    Species: Gallus gallus [TaxId:9031]
    Gene: ATIC, PURH
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d1thzb1, d1thzb2
  • Heterogens: K, 326, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >1thzA (A:)
maarqqlallsvsekaglvefarslnalglgliasggtatalrdaglpvrdvsdltgfpe
mlggrvktlhpavhagilarnipednadmnkqdfslvrvvvcnlypfvktvsspgvtvpe
avekidiggvallraaaknharvtvvcdpadyssvakemaaskdkdtsvetrrhlalkaf
thtaqydaaisdyfrkeyskgvsqlplrygmnphqspaqlyttrpklpltvvngspgfin
lcdalnawqlvkelkqalgipaaasfkhvspagaavgiplseeeaqvcmvhdlhktltpl
asayarsrgadrmssfgdfialsdicdvptakiisrevsdgvvapgyeeealkilskkkn
ggycvlqmdpnyepddneirtlyglqlmqkrnnavidrslfknivtknktlpesavrdli
vasiavkytqsnsvcyakdgqvigigagqqsrihctrlagdkanswwlrhhprvlsmkfk
agvkraevsnaidqyvtgtigededlvkwqamfeevpaqlteaekkqwiakltavslssd
affpfrdnvdrakrigvqfivapsgsaadevvieacnelgitlihtnlrlfhh

    Sequence, based on observed residues (ATOM records): (download) 
    >1thzA (A:)
rqqlallsvsekaglvefarslnalglgliasggtatalrdaglpvrdvsdltgfpemlg
grvktlhpavhagilarnipednadmnkqdfslvrvvvcnlypfvktvsspgvtvpeave
kidiggvallraaaknharvtvvcdpadyssvakemaaskdkdtsvetrrhlalkaftht
aqydaaisdyfrkeyskgvsqlplrygmnphqspaqlyttrpklpltvvngspgfinlcd
alnawqlvkelkqalgipaaasfkhvspagaavgiplseeeaqvcmvhdlhktltplasa
yarsrgadrmssfgdfialsdicdvptakiisrevsdgvvapgyeeealkilskkknggy
cvlqmdpnyepddneirtlyglqlmqkrnnavidrslfknivtknktlpesavrdlivas
iavkytqsnsvcyakdgqvigigagqqsrihctrlagdkanswwlrhhprvlsmkfkagv
kraevsnaidqyvtgtigededlvkwqamfeevpaqlteaekkqwiakltavslssdaff
pfrdnvdrakrigvqfivapsgsaadevvieacnelgitlihtnlrlfhh

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >1thzB (B:)
maarqqlallsvsekaglvefarslnalglgliasggtatalrdaglpvrdvsdltgfpe
mlggrvktlhpavhagilarnipednadmnkqdfslvrvvvcnlypfvktvsspgvtvpe
avekidiggvallraaaknharvtvvcdpadyssvakemaaskdkdtsvetrrhlalkaf
thtaqydaaisdyfrkeyskgvsqlplrygmnphqspaqlyttrpklpltvvngspgfin
lcdalnawqlvkelkqalgipaaasfkhvspagaavgiplseeeaqvcmvhdlhktltpl
asayarsrgadrmssfgdfialsdicdvptakiisrevsdgvvapgyeeealkilskkkn
ggycvlqmdpnyepddneirtlyglqlmqkrnnavidrslfknivtknktlpesavrdli
vasiavkytqsnsvcyakdgqvigigagqqsrihctrlagdkanswwlrhhprvlsmkfk
agvkraevsnaidqyvtgtigededlvkwqamfeevpaqlteaekkqwiakltavslssd
affpfrdnvdrakrigvqfivapsgsaadevvieacnelgitlihtnlrlfhh

    Sequence, based on observed residues (ATOM records): (download) 
    >1thzB (B:)
rqqlallsvsekaglvefarslnalglgliasggtatalrdaglpvrdvsdltgfpemlg
grvktlhpavhagilarnipednadmnkqdfslvrvvvcnlypfvktvsspgvtvpeave
kidiggvallraaaknharvtvvcdpadyssvakemaaskdkdtsvetrrhlalkaftht
aqydaaisdyfrkeyskgvsqlplrygmnphqspaqlyttrpklpltvvngspgfinlcd
alnawqlvkelkqalgipaaasfkhvspagaavgiplseeeaqvcmvhdlhktltplasa
yarsrgadrmssfgdfialsdicdvptakiisrevsdgvvapgyeeealkilskkknggy
cvlqmdpnyepddneirtlyglqlmqkrnnavidrslfknivtknktlpesavrdlivas
iavkytqsnsvcyakdgqvigigagqqsrihctrlagdkanswwlrhhprvlsmkfkagv
kraevsnaidqyvtgtigededlvkwqamfeevpaqlteaekkqwiakltavslssdaff
pfrdnvdrakrigvqfivapsgsaadevvieacnelgitlihtnlrlfhh