PDB entry 6pf5

View 6pf5 on RCSB PDB site
Description: Crystal structure of human thymidylate synthase Delta (7-29) in complex with dUMP and 2-(2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-methoxyphenyl)acetic acid
Class: transferase/transferase inhibitor
Keywords: Inhibitor, TS, TRANSFERASE, transferase-transferase inhibitor complex
Deposited on 2019-06-21, released 2019-10-02
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: 2.39 Å
R-factor: N/A
AEROSPACI score: 0.23 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: 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: d6pf5a_
  • Chain 'B':
    Compound: 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: d6pf5b_
  • Chain 'C':
    Compound: 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: d6pf5c_
  • Chain 'D':
    Compound: 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: d6pf5d_
  • Heterogens: OED, UMP, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >6pf5A (A:)
mpvagselqylgqiqhilrcgvrkddrtgtgtlsvfgmqaryslrdefpllttkrvfwkg
vleellwfikgstnakelsskgvkiwdangsrdfldslgfstreegdlgpvygfqwrhfg
aeyrdmesdysgqgvdqlqrvidtiktnpddrriimcawnprdlplmalppchalcqfyv
vnselscqlyqrsgdmglgvpfniasyalltymiahitglkpgdfihtlgdahiylnhie
plkiqlqreprpfpklrilrkvekiddfkaedfqiegynphptikmemav

    Sequence, based on observed residues (ATOM records): (download) 
    >6pf5A (A:)
selqylgqiqhilrcgvrkddrtgtgtlsvfgmqaryslrdefpllttkrvfwkgvleel
lwfikgstnakelsskgvkiwdangsrdfldslgfstreegdlgpvygfqwrhfgaeyrd
mesdysgqgvdqlqrvidtiktnpddrriimcawnprdlplmalppchalcqfyvvnsel
scqlyqrsgdmglgvpfniasyalltymiahitglkpgdfihtlgdahiylnhieplkiq
lqreprpfpklrilrkvekiddfkaedfqiegynphptikmemav

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >6pf5B (B:)
mpvagselqylgqiqhilrcgvrkddrtgtgtlsvfgmqaryslrdefpllttkrvfwkg
vleellwfikgstnakelsskgvkiwdangsrdfldslgfstreegdlgpvygfqwrhfg
aeyrdmesdysgqgvdqlqrvidtiktnpddrriimcawnprdlplmalppchalcqfyv
vnselscqlyqrsgdmglgvpfniasyalltymiahitglkpgdfihtlgdahiylnhie
plkiqlqreprpfpklrilrkvekiddfkaedfqiegynphptikmemav

    Sequence, based on observed residues (ATOM records): (download) 
    >6pf5B (B:)
selqylgqiqhilrcgvrkddrtgtgtlsvfgmqaryslrdefpllttkrvfwkgvleel
lwfikgstnakelsskgvkiwdangsrdfldslgfstreegdlgpvygfqwrhfgaeyrd
mesdysgqgvdqlqrvidtiktnpddrriimcawnprdlplmalppchalcqfyvvnsel
scqlyqrsgdmglgvpfniasyalltymiahitglkpgdfihtlgdahiylnhieplkiq
lqreprpfpklrilrkvekiddfkaedfqiegynphptikmemav

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >6pf5C (C:)
mpvagselqylgqiqhilrcgvrkddrtgtgtlsvfgmqaryslrdefpllttkrvfwkg
vleellwfikgstnakelsskgvkiwdangsrdfldslgfstreegdlgpvygfqwrhfg
aeyrdmesdysgqgvdqlqrvidtiktnpddrriimcawnprdlplmalppchalcqfyv
vnselscqlyqrsgdmglgvpfniasyalltymiahitglkpgdfihtlgdahiylnhie
plkiqlqreprpfpklrilrkvekiddfkaedfqiegynphptikmemav

    Sequence, based on observed residues (ATOM records): (download) 
    >6pf5C (C:)
selqylgqiqhilrcgvrkddrtgtgtlsvfgmqaryslrdefpllttkrvfwkgvleel
lwfikgstnakelsskgvkiwdangsrdfldslgfstreegdlgpvygfqwrhfgaeyrd
mesdysgqgvdqlqrvidtiktnpddrriimcawnprdlplmalppchalcqfyvvnsel
scqlyqrsgdmglgvpfniasyalltymiahitglkpgdfihtlgdahiylnhieplkiq
lqreprpfpklrilrkvekiddfkaedfqiegynphptikmemav

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >6pf5D (D:)
mpvagselqylgqiqhilrcgvrkddrtgtgtlsvfgmqaryslrdefpllttkrvfwkg
vleellwfikgstnakelsskgvkiwdangsrdfldslgfstreegdlgpvygfqwrhfg
aeyrdmesdysgqgvdqlqrvidtiktnpddrriimcawnprdlplmalppchalcqfyv
vnselscqlyqrsgdmglgvpfniasyalltymiahitglkpgdfihtlgdahiylnhie
plkiqlqreprpfpklrilrkvekiddfkaedfqiegynphptikmemav

    Sequence, based on observed residues (ATOM records): (download) 
    >6pf5D (D:)
selqylgqiqhilrcgvrkddrtgtgtlsvfgmqaryslrdefpllttkrvfwkgvleel
lwfikgstnakelsskgvkiwdangsrdfldslgfstreegdlgpvygfqwrhfgaeyrd
mesdysgqgvdqlqrvidtiktnpddrriimcawnprdlplmalppchalcqfyvvnsel
scqlyqrsgdmglgvpfniasyalltymiahitglkpgdfihtlgdahiylnhieplkiq
lqreprpfpklrilrkvekiddfkaedfqiegynphptikmemav