PDB entry 5hs3

View 5hs3 on RCSB PDB site
Description: Human thymidylate synthase complexed with dUMP and 3-amino-2-benzoyl-4-methylthieno[2,3-b]pyridin-6-ol
Class: transferase/transferase inhibitor
Keywords: nhibitor, TRANSFERASE-TRANSFERASE INHIBITOR complex
Deposited on 2016-01-25, released 2016-02-24
The last revision prior to the SCOPe 2.08 freeze date was dated 2020-02-19, with a file datestamp of 2020-02-14.
Experiment type: XRAY
Resolution: 3.1 Å
R-factor: N/A
AEROSPACI score: 0.12 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Thymidylate synthase
    Species: Homo sapiens [TaxId:9606]
    Gene: TYMS, TS
    Database cross-references and differences (RAF-indexed):
    • Uniprot P04818 (1-288)
      • expression tag (0)
    Domains in SCOPe 2.08: d5hs3a1, d5hs3a2
  • Chain 'B':
    Compound: Thymidylate synthase
    Species: Homo sapiens [TaxId:9606]
    Gene: TYMS, TS
    Database cross-references and differences (RAF-indexed):
    • Uniprot P04818 (1-288)
      • expression tag (0)
    Domains in SCOPe 2.08: d5hs3b1, d5hs3b2
  • Chain 'C':
    Compound: Thymidylate synthase
    Species: Homo sapiens [TaxId:9606]
    Gene: TYMS, TS
    Database cross-references and differences (RAF-indexed):
    • Uniprot P04818 (1-End)
      • expression tag (0)
    Domains in SCOPe 2.08: d5hs3c1, d5hs3c2
  • Chain 'D':
    Compound: Thymidylate synthase
    Species: Homo sapiens [TaxId:9606]
    Gene: TYMS, TS
    Database cross-references and differences (RAF-indexed):
    • Uniprot P04818 (1-End)
      • expression tag (0)
    Domains in SCOPe 2.08: d5hs3d1, d5hs3d2
  • Chain 'E':
    Compound: Thymidylate synthase
    Species: Homo sapiens [TaxId:9606]
    Gene: TYMS, TS
    Database cross-references and differences (RAF-indexed):
    • Uniprot P04818 (1-End)
      • expression tag (0)
    Domains in SCOPe 2.08: d5hs3e1, d5hs3e2
  • Chain 'F':
    Compound: Thymidylate synthase
    Species: Homo sapiens [TaxId:9606]
    Gene: TYMS, TS
    Database cross-references and differences (RAF-indexed):
    • Uniprot P04818 (1-End)
      • expression tag (0)
    Domains in SCOPe 2.08: d5hs3f1, d5hs3f2
  • Heterogens: UMP, KI3, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >5hs3A (A:)
mpphgelqylgqiqhilrcgvrkddrtgtgtlsvfgmqaryslrdefpllttkrvfwkgv
leellwfikgstnakelsskgvkiwdangsrdfldslgfstreegdlgpvygfqwrhfga
eyrdmesdysgqgvdqlqrvidtiktnpddrriimcawnprdlplmalppchalcqfyvv
nselscqlyqrsgdmglgvpfniasyalltymiahitglkpgdfihtlgdahiylnhiep
lkiqlqreprpfpklrilrkvekiddfkaedfqiegynphptikmemav

  • Chain 'B':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >5hs3B (B:)
mpphgelqylgqiqhilrcgvrkddrtgtgtlsvfgmqaryslrdefpllttkrvfwkgv
leellwfikgstnakelsskgvkiwdangsrdfldslgfstreegdlgpvygfqwrhfga
eyrdmesdysgqgvdqlqrvidtiktnpddrriimcawnprdlplmalppchalcqfyvv
nselscqlyqrsgdmglgvpfniasyalltymiahitglkpgdfihtlgdahiylnhiep
lkiqlqreprpfpklrilrkvekiddfkaedfqiegynphptikmemav

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >5hs3C (C:)
mpphgelqylgqiqhilrcgvrkddrtgtgtlsvfgmqaryslrdefpllttkrvfwkgv
leellwfikgstnakelsskgvkiwdangsrdfldslgfstreegdlgpvygfqwrhfga
eyrdmesdysgqgvdqlqrvidtiktnpddrriimcawnprdlplmalppchalcqfyvv
nselscqlyqrsgdmglgvpfniasyalltymiahitglkpgdfihtlgdahiylnhiep
lkiqlqreprpfpklrilrkvekiddfkaedfqiegynphptikmemav

    Sequence, based on observed residues (ATOM records): (download) 
    >5hs3C (C:)
mpphgelqylgqiqhilrcgvrkddrtgtgtlsvfgmqaryslrdefpllttkrvfwkgv
leellwfikgstnakelsskgvkiwdangsrdfldslgfstreegdlgpvygfqwrhfga
eyrdmesdysgqgvdqlqrvidtiktnpddrriimcawnprdlplmalppchalcqfyvv
nselscqlyqrsgdmglgvpfniasyalltymiahitglkpgdfihtlgdahiylnhiep
lkiqlqreprpfpklrilrkvekiddfkaedfqiegynphp

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >5hs3D (D:)
mpphgelqylgqiqhilrcgvrkddrtgtgtlsvfgmqaryslrdefpllttkrvfwkgv
leellwfikgstnakelsskgvkiwdangsrdfldslgfstreegdlgpvygfqwrhfga
eyrdmesdysgqgvdqlqrvidtiktnpddrriimcawnprdlplmalppchalcqfyvv
nselscqlyqrsgdmglgvpfniasyalltymiahitglkpgdfihtlgdahiylnhiep
lkiqlqreprpfpklrilrkvekiddfkaedfqiegynphptikmemav

    Sequence, based on observed residues (ATOM records): (download) 
    >5hs3D (D:)
mpphgelqylgqiqhilrcgvrkddrtgtgtlsvfgmqaryslrdefpllttkrvfwkgv
leellwfikgstnakelsskgvkiwdangsrdfldslgfstreegdlgpvygfqwrhfga
eyrdmesdysgqgvdqlqrvidtiktnpddrriimcawnprdlplmalppchalcqfyvv
nselscqlyqrsgdmglgvpfniasyalltymiahitglkpgdfihtlgdahiylnhiep
lkiqlqreprpfpklrilrkvekiddfkaedfqiegynphpt

  • Chain 'E':
    Sequence, based on SEQRES records: (download) 
    >5hs3E (E:)
mpphgelqylgqiqhilrcgvrkddrtgtgtlsvfgmqaryslrdefpllttkrvfwkgv
leellwfikgstnakelsskgvkiwdangsrdfldslgfstreegdlgpvygfqwrhfga
eyrdmesdysgqgvdqlqrvidtiktnpddrriimcawnprdlplmalppchalcqfyvv
nselscqlyqrsgdmglgvpfniasyalltymiahitglkpgdfihtlgdahiylnhiep
lkiqlqreprpfpklrilrkvekiddfkaedfqiegynphptikmemav

    Sequence, based on observed residues (ATOM records): (download) 
    >5hs3E (E:)
mpphgelqylgqiqhilrcgvrkddrtgtgtlsvfgmqaryslrdefpllttkrvfwkgv
leellwfikgstnakelsskgvkiwdangsrdfldslgfstreegdlgpvygfqwrhfga
eyrdmesdysgqgvdqlqrvidtiktnpddrriimcawnprdlplmalppchalcqfyvv
nselscqlyqrsgdmglgvpfniasyalltymiahitglkpgdfihtlgdahiylnhiep
lkiqlqreprpfpklrilrkvekiddfkaedfqiegynphpt

  • Chain 'F':
    Sequence, based on SEQRES records: (download) 
    >5hs3F (F:)
mpphgelqylgqiqhilrcgvrkddrtgtgtlsvfgmqaryslrdefpllttkrvfwkgv
leellwfikgstnakelsskgvkiwdangsrdfldslgfstreegdlgpvygfqwrhfga
eyrdmesdysgqgvdqlqrvidtiktnpddrriimcawnprdlplmalppchalcqfyvv
nselscqlyqrsgdmglgvpfniasyalltymiahitglkpgdfihtlgdahiylnhiep
lkiqlqreprpfpklrilrkvekiddfkaedfqiegynphptikmemav

    Sequence, based on observed residues (ATOM records): (download) 
    >5hs3F (F:)
mpphgelqylgqiqhilrcgvrkddrtgtgtlsvfgmqaryslrdefpllttkrvfwkgv
leellwfikgstnakelsskgvkiwdangsrdfldslgfstreegdlgpvygfqwrhfga
eyrdmesdysgqgvdqlqrvidtiktnpddrriimcawnprdlplmalppchalcqfyvv
nselscqlyqrsgdmglgvpfniasyalltymiahitglkpgdfihtlgdahiylnhiep
lkiqlqreprpfpklrilrkvekiddfkaedfqiegynphp