PDB entry 3hb8

View 3hb8 on RCSB PDB site
Description: Structures of Thymidylate Synthase R163K with Substrates and Inhibitors Show Subunit Asymmetry
Class: transferase
Keywords: transferase, methyl transferase, Methyltransferase, Nucleotide biosynthesis
Deposited on 2009-05-04, released 2010-05-26
The last revision prior to the SCOPe 2.06 freeze date was dated 2013-03-27, with a file datestamp of 2013-03-22.
Experiment type: XRAY
Resolution: 2.74 Å
R-factor: 0.21
AEROSPACI score: 0.27 (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):
    • Uniprot P04818
      • engineered (162)
    Domains in SCOPe 2.06: d3hb8a_
  • Chain 'B':
    Compound: Thymidylate synthase
    Species: Homo sapiens [TaxId:9606]
    Gene: TYMS, TS, OK/SW-cl.29
    Database cross-references and differences (RAF-indexed):
    • Uniprot P04818
      • engineered (162)
    Domains in SCOPe 2.06: d3hb8b_
  • Chain 'C':
    Compound: Thymidylate synthase
    Species: Homo sapiens [TaxId:9606]
    Gene: TYMS, TS, OK/SW-cl.29
    Database cross-references and differences (RAF-indexed):
    • Uniprot P04818
      • engineered (162)
    Domains in SCOPe 2.06: d3hb8c_
  • Chain 'D':
    Compound: Thymidylate synthase
    Species: Homo sapiens [TaxId:9606]
    Gene: TYMS, TS, OK/SW-cl.29
    Database cross-references and differences (RAF-indexed):
    • Uniprot P04818
      • engineered (162)
    Domains in SCOPe 2.06: d3hb8d_
  • Chain 'E':
    Compound: Thymidylate synthase
    Species: Homo sapiens [TaxId:9606]
    Gene: TYMS, TS, OK/SW-cl.29
    Database cross-references and differences (RAF-indexed):
    • Uniprot P04818
      • engineered (162)
    Domains in SCOPe 2.06: d3hb8e_
  • Heterogens: UMP, EDO, PO4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3hb8A (A:)
    mpvagselprrplppaaqerdaeprpphgelqylgqiqhilrcgvrkddrtgtgtlsvfg
    mqaryslrdefpllttkrvfwkgvleellwfikgstnakelsskgvkiwdangsrdflds
    lgfstreegdlgpvygfqwrhfgaeyrdmesdysgqgvdqlqkvidtiktnpddrriimc
    awnprdlplmalppchalcqfyvvnselscqlyqrsgdmglgvpfniasyalltymiahi
    tglkpgdfihtlgdahiylnhieplkiqlqreprpfpklrilrkvekiddfkaedfqieg
    ynphptikmemav
    

    Sequence, based on observed residues (ATOM records): (download)
    >3hb8A (A:)
    pphgelqylgqiqhilrcgvrkddrtgtgtlsvfgmqaryslrdefpllttkrvfwkgvl
    eellwfikgstnakelsskgvkiwdangsrdfldslgfstreegdlgpvygfqwrhfgae
    yrdmesdysgqgvdqlqkvidtiktnpddrriimcawnprdlplmalppchalcqfyvvn
    selscqlyqrsgdmglgvpfniasyalltymiahitglkpgdfihtlgdahiylnhiepl
    kiqlqreprpfpklrilrkvekiddfkaedfqiegynphpt
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3hb8B (B:)
    mpvagselprrplppaaqerdaeprpphgelqylgqiqhilrcgvrkddrtgtgtlsvfg
    mqaryslrdefpllttkrvfwkgvleellwfikgstnakelsskgvkiwdangsrdflds
    lgfstreegdlgpvygfqwrhfgaeyrdmesdysgqgvdqlqkvidtiktnpddrriimc
    awnprdlplmalppchalcqfyvvnselscqlyqrsgdmglgvpfniasyalltymiahi
    tglkpgdfihtlgdahiylnhieplkiqlqreprpfpklrilrkvekiddfkaedfqieg
    ynphptikmemav
    

    Sequence, based on observed residues (ATOM records): (download)
    >3hb8B (B:)
    pphgelqylgqiqhilrcgvrkddrtgtgtlsvfgmqaryslrdefpllttkrvfwkgvl
    eellwfikgstnakelsskgvkiwdangsrdfldslgfstreegdlgpvygfqwrhfgae
    yrdmesdysgqgvdqlqkvidtiktnpddrriimcawnprdlplmalppchalcqfyvvn
    selscqlyqrsgdmglgvpfniasyalltymiahitglkpgdfihtlgdahiylnhiepl
    kiqlqreprpfpklrilrkvekiddfkaedfqiegynphpt
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >3hb8C (C:)
    mpvagselprrplppaaqerdaeprpphgelqylgqiqhilrcgvrkddrtgtgtlsvfg
    mqaryslrdefpllttkrvfwkgvleellwfikgstnakelsskgvkiwdangsrdflds
    lgfstreegdlgpvygfqwrhfgaeyrdmesdysgqgvdqlqkvidtiktnpddrriimc
    awnprdlplmalppchalcqfyvvnselscqlyqrsgdmglgvpfniasyalltymiahi
    tglkpgdfihtlgdahiylnhieplkiqlqreprpfpklrilrkvekiddfkaedfqieg
    ynphptikmemav
    

    Sequence, based on observed residues (ATOM records): (download)
    >3hb8C (C:)
    pphgelqylgqiqhilrcgvrkddrtgtgtlsvfgmqaryslrdefpllttkrvfwkgvl
    eellwfikgstnakelsskgvkiwdangsrdfldslgfstreegdlgpvygfqwrhfgae
    yrdmesdysgqgvdqlqkvidtiktnpddrriimcawnprdlplmalppchalcqfyvvn
    selscqlyqrsgdmglgvpfniasyalltymiahitglkpgdfihtlgdahiylnhiepl
    kiqlqreprpfpklrilrkvekiddfkaedfqiegynphpt
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >3hb8D (D:)
    mpvagselprrplppaaqerdaeprpphgelqylgqiqhilrcgvrkddrtgtgtlsvfg
    mqaryslrdefpllttkrvfwkgvleellwfikgstnakelsskgvkiwdangsrdflds
    lgfstreegdlgpvygfqwrhfgaeyrdmesdysgqgvdqlqkvidtiktnpddrriimc
    awnprdlplmalppchalcqfyvvnselscqlyqrsgdmglgvpfniasyalltymiahi
    tglkpgdfihtlgdahiylnhieplkiqlqreprpfpklrilrkvekiddfkaedfqieg
    ynphptikmemav
    

    Sequence, based on observed residues (ATOM records): (download)
    >3hb8D (D:)
    pphgelqylgqiqhilrcgvrkddrtgtgtlsvfgmqaryslrdefpllttkrvfwkgvl
    eellwfikgstnakelsskgvkiwdangsrdfldslgfstreegdlgpvygfqwrhfgae
    yrdmesdysgqgvdqlqkvidtiktnpddrriimcawnprdlplmalppchalcqfyvvn
    selscqlyqrsgdmglgvpfniasyalltymiahitglkpgdfihtlgdahiylnhiepl
    kiqlqreprpfpklrilrkvekiddfkaedfqiegynphpt
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >3hb8E (E:)
    mpvagselprrplppaaqerdaeprpphgelqylgqiqhilrcgvrkddrtgtgtlsvfg
    mqaryslrdefpllttkrvfwkgvleellwfikgstnakelsskgvkiwdangsrdflds
    lgfstreegdlgpvygfqwrhfgaeyrdmesdysgqgvdqlqkvidtiktnpddrriimc
    awnprdlplmalppchalcqfyvvnselscqlyqrsgdmglgvpfniasyalltymiahi
    tglkpgdfihtlgdahiylnhieplkiqlqreprpfpklrilrkvekiddfkaedfqieg
    ynphptikmemav
    

    Sequence, based on observed residues (ATOM records): (download)
    >3hb8E (E:)
    pphgelqylgqiqhilrcgvrkddrtgtgtlsvfgmqaryslrdefpllttkrvfwkgvl
    eellwfikgstnakelsskgvkiwdangsrdfldslgfstreegdlgpvygfqwrhfgae
    yrdmesdysgqgvdqlqkvidtiktnpddrriimcawnprdlplmalppchalcqfyvvn
    selscqlyqrsgdmglgvpfniasyalltymiahitglkpgdfihtlgdahiylnhiepl
    kiqlqreprpfpklrilrkvekiddfkaedfqiegynphpt