PDB entry 6oju

View 6oju on RCSB PDB site
Description: Crystal structure of human thymidylate synthase Delta (7-29) in complex with dUMP and 2-amino-4-oxo-4,7-dihydro-pyrrolo[2,3-d]pyrimidine-methyl-phenyl-D-glutamic acid
Class: transferase/transferase inhibitor
Keywords: Inhibitor, TS-DHFR, TRANSFERASE, TRANSFERASE-TRANSFERASE INHIBITOR complex
Deposited on 2019-04-12, released 2019-06-19
The last revision prior to the SCOPe 2.08 freeze date was dated 2019-12-18, with a file datestamp of 2019-12-13.
Experiment type: XRAY
Resolution: 2.88 Å
R-factor: N/A
AEROSPACI score: 0.16 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Thymidylate synthase,Thymidylate synthase
    Species: Homo sapiens [TaxId:9606]
    Gene: TYMS, TS, OK/SW-cl.29
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6ojua1, d6ojua2
  • Chain 'B':
    Compound: Thymidylate synthase,Thymidylate synthase
    Species: Homo sapiens [TaxId:9606]
    Gene: TYMS, TS, OK/SW-cl.29
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6ojub1, d6ojub2
  • Chain 'C':
    Compound: Thymidylate synthase,Thymidylate synthase
    Species: Homo sapiens [TaxId:9606]
    Gene: TYMS, TS, OK/SW-cl.29
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6ojuc1, d6ojuc2
  • Chain 'D':
    Compound: Thymidylate synthase,Thymidylate synthase
    Species: Homo sapiens [TaxId:9606]
    Gene: TYMS, TS, OK/SW-cl.29
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6ojud1, d6ojud2
  • Heterogens: UMP, D96, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >6ojuA (A:)
mpvagselqylgqiqhilrcgvrkddrtgtgtlsvfgmqaryslrdefpllttkrvfwkg
vleellwfikgstnakelsskgvkiwdangsrdfldslgfstreegdlgpvygfqwrhfg
aeyrdmesdysgqgvdqlqrvidtiktnpddrriimcawnprdlplmalppchalcqfyv
vnselscqlyqrsgdmglgvpfniasyalltymiahitglkpgdfihtlgdahiylnhie
plkiqlqreprpfpklrilrkvekiddfkaedfqiegynphptikmemav

    Sequence, based on observed residues (ATOM records): (download) 
    >6ojuA (A:)
selqylgqiqhilrcgvrkddrtgtgtlsvfgmqaryslrdefpllttkrvfwkgvleel
lwfikgstnakelsskgvkiwdangsrdfldslgfstreegdlgpvygfqwrhfgaeyrd
mesdysgqgvdqlqrvidtiktnpddrriimcawnprdlplmalppchalcqfyvvnsel
scqlyqrsgdmglgvpfniasyalltymiahitglkpgdfihtlgdahiylnhieplkiq
lqreprpfpklrilrkvekiddfkaedfqiegynphptikmemav

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >6ojuB (B:)
mpvagselqylgqiqhilrcgvrkddrtgtgtlsvfgmqaryslrdefpllttkrvfwkg
vleellwfikgstnakelsskgvkiwdangsrdfldslgfstreegdlgpvygfqwrhfg
aeyrdmesdysgqgvdqlqrvidtiktnpddrriimcawnprdlplmalppchalcqfyv
vnselscqlyqrsgdmglgvpfniasyalltymiahitglkpgdfihtlgdahiylnhie
plkiqlqreprpfpklrilrkvekiddfkaedfqiegynphptikmemav

    Sequence, based on observed residues (ATOM records): (download) 
    >6ojuB (B:)
selqylgqiqhilrcgvrkddrtgtgtlsvfgmqaryslrdefpllttkrvfwkgvleel
lwfikgstnakelsskgvkiwdangsrdfldslgfstreegdlgpvygfqwrhfgaeyrd
mesdysgqgvdqlqrvidtiktnpddrriimcawnprdlplmalppchalcqfyvvnsel
scqlyqrsgdmglgvpfniasyalltymiahitglkpgdfihtlgdahiylnhieplkiq
lqreprpfpklrilrkvekiddfkaedfqiegynphptikmemav

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >6ojuC (C:)
mpvagselqylgqiqhilrcgvrkddrtgtgtlsvfgmqaryslrdefpllttkrvfwkg
vleellwfikgstnakelsskgvkiwdangsrdfldslgfstreegdlgpvygfqwrhfg
aeyrdmesdysgqgvdqlqrvidtiktnpddrriimcawnprdlplmalppchalcqfyv
vnselscqlyqrsgdmglgvpfniasyalltymiahitglkpgdfihtlgdahiylnhie
plkiqlqreprpfpklrilrkvekiddfkaedfqiegynphptikmemav

    Sequence, based on observed residues (ATOM records): (download) 
    >6ojuC (C:)
selqylgqiqhilrcgvrkddrtgtgtlsvfgmqaryslrdefpllttkrvfwkgvleel
lwfikgstnakelsskgvkiwdangsrdfldslgfstreegdlgpvygfqwrhfgaeyrd
mesdysgqgvdqlqrvidtiktnpddrriimcawnprdlplmalppchalcqfyvvnsel
scqlyqrsgdmglgvpfniasyalltymiahitglkpgdfihtlgdahiylnhieplkiq
lqreprpfpklrilrkvekiddfkaedfqiegynphptikmemav

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >6ojuD (D:)
mpvagselqylgqiqhilrcgvrkddrtgtgtlsvfgmqaryslrdefpllttkrvfwkg
vleellwfikgstnakelsskgvkiwdangsrdfldslgfstreegdlgpvygfqwrhfg
aeyrdmesdysgqgvdqlqrvidtiktnpddrriimcawnprdlplmalppchalcqfyv
vnselscqlyqrsgdmglgvpfniasyalltymiahitglkpgdfihtlgdahiylnhie
plkiqlqreprpfpklrilrkvekiddfkaedfqiegynphptikmemav

    Sequence, based on observed residues (ATOM records): (download) 
    >6ojuD (D:)
selqylgqiqhilrcgvrkddrtgtgtlsvfgmqaryslrdefpllttkrvfwkgvleel
lwfikgstnakelsskgvkiwdangsrdfldslgfstreegdlgpvygfqwrhfgaeyrd
mesdysgqgvdqlqrvidtiktnpddrriimcawnprdlplmalppchalcqfyvvnsel
scqlyqrsgdmglgvpfniasyalltymiahitglkpgdfihtlgdahiylnhieplkiq
lqreprpfpklrilrkvekiddfkaedfqiegynphptikmemav