PDB entry 4o1x

View 4o1x on RCSB PDB site
Description: Crystal structure of human thymidylate synthase double mutant C195S-Y202C
Class: transferase
Keywords: dimer-dimer interface modification, active conformation, Methyltransferase, Nucleotide biosynthesis, TRANSFERASE
Deposited on 2013-12-16, released 2015-01-21
The last revision prior to the SCOPe 2.08 freeze date was dated 2015-01-21, with a file datestamp of 2015-01-16.
Experiment type: XRAY
Resolution: 2.32 Å
R-factor: 0.208
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: OK/SW-cl.29, TS, TYMS
    Database cross-references and differences (RAF-indexed):
    • Uniprot P04818
      • engineered mutation (206)
      • engineered mutation (213)
    Domains in SCOPe 2.08: d4o1xa_
  • Chain 'B':
    Compound: Thymidylate synthase
    Species: Homo sapiens [TaxId:9606]
    Gene: OK/SW-cl.29, TS, TYMS
    Database cross-references and differences (RAF-indexed):
    • Uniprot P04818
      • engineered mutation (206)
      • engineered mutation (213)
    Domains in SCOPe 2.08: d4o1xb_
  • Chain 'C':
    Compound: Thymidylate synthase
    Species: Homo sapiens [TaxId:9606]
    Gene: OK/SW-cl.29, TS, TYMS
    Database cross-references and differences (RAF-indexed):
    • Uniprot P04818
      • engineered mutation (206)
      • engineered mutation (213)
    Domains in SCOPe 2.08: d4o1xc_
  • Chain 'D':
    Compound: Thymidylate synthase
    Species: Homo sapiens [TaxId:9606]
    Gene: OK/SW-cl.29, TS, TYMS
    Database cross-references and differences (RAF-indexed):
    • Uniprot P04818
      • engineered mutation (206)
      • engineered mutation (213)
    Domains in SCOPe 2.08: d4o1xd_
  • Heterogens: SO4, CL, EDO, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4o1xA (A:)
mrgshhhhhhgsmpvagselprrplppaaqerdaeprpphgelqylgqiqhilrcgvrkd
drtgtgtlsvfgmqaryslrdefpllttkrvfwkgvleellwfikgstnakelsskgvki
wdangsrdfldslgfstreegdlgpvygfqwrhfgaeyrdmesdysgqgvdqlqrvidti
ktnpddrriimcawnprdlplmalppshalcqfcvvnselscqlyqrsgdmglgvpfnia
syalltymiahitglkpgdfihtlgdahiylnhieplkiqlqreprpfpklrilrkveki
ddfkaedfqiegynphptikmemav

    Sequence, based on observed residues (ATOM records): (download) 
    >4o1xA (A:)
prpphgelqylgqiqhilrcgvrkddrtgtgtlsvfgmqaryslrdefpllttkrvfwkg
vleellwfikgstnakelsskgvkiwdangsrdfldslgfstreegdlgpvygfqwrhfg
aeyrdmesdysgqgvdqlqrvidtiktnpddrriimcawnprdlplmalppshalcqfcv
vnselscqlyqrsgdmglgvpfniasyalltymiahitglkpgdfihtlgdahiylnhie
plkiqlqreprpfpklrilrkvekiddfkaedfqiegynphptikmem

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4o1xB (B:)
mrgshhhhhhgsmpvagselprrplppaaqerdaeprpphgelqylgqiqhilrcgvrkd
drtgtgtlsvfgmqaryslrdefpllttkrvfwkgvleellwfikgstnakelsskgvki
wdangsrdfldslgfstreegdlgpvygfqwrhfgaeyrdmesdysgqgvdqlqrvidti
ktnpddrriimcawnprdlplmalppshalcqfcvvnselscqlyqrsgdmglgvpfnia
syalltymiahitglkpgdfihtlgdahiylnhieplkiqlqreprpfpklrilrkveki
ddfkaedfqiegynphptikmemav

    Sequence, based on observed residues (ATOM records): (download) 
    >4o1xB (B:)
prpphgelqylgqiqhilrcgvrkddrtgtgtlsvfgmqaryslrdefpllttkrvfwkg
vleellwfikgstnakelsskgvkiwdangsrdfldslgfstreegdlgpvygfqwrhfg
aeyrdmesdysgqgvdqlqrvidtiktnpddrriimcawnprdlplmalppshalcqfcv
vnselscqlyqrsgdmglgvpfniasyalltymiahitglkpgdfihtlgdahiylnhie
plkiqlqreprpfpklrilrkvekiddfkaedfqiegynphptikmem

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >4o1xC (C:)
mrgshhhhhhgsmpvagselprrplppaaqerdaeprpphgelqylgqiqhilrcgvrkd
drtgtgtlsvfgmqaryslrdefpllttkrvfwkgvleellwfikgstnakelsskgvki
wdangsrdfldslgfstreegdlgpvygfqwrhfgaeyrdmesdysgqgvdqlqrvidti
ktnpddrriimcawnprdlplmalppshalcqfcvvnselscqlyqrsgdmglgvpfnia
syalltymiahitglkpgdfihtlgdahiylnhieplkiqlqreprpfpklrilrkveki
ddfkaedfqiegynphptikmemav

    Sequence, based on observed residues (ATOM records): (download) 
    >4o1xC (C:)
pphgelqylgqiqhilrcgvrkddrtgtgtlsvfgmqaryslrdefpllttkrvfwkgvl
eellwfikgstnakelsskgvkiwdangsrdfldslgfstreegdlgpvygfqwrhfgae
yrdmesdysgqgvdqlqrvidtiktnpddrriimcawnprdlplmalppshalcqfcvvn
selscqlyqrsgdmglgvpfniasyalltymiahitglkpgdfihtlgdahiylnhiepl
kiqlqreprpfpklrilrkvekiddfkaedfqiegynphptikmem

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >4o1xD (D:)
mrgshhhhhhgsmpvagselprrplppaaqerdaeprpphgelqylgqiqhilrcgvrkd
drtgtgtlsvfgmqaryslrdefpllttkrvfwkgvleellwfikgstnakelsskgvki
wdangsrdfldslgfstreegdlgpvygfqwrhfgaeyrdmesdysgqgvdqlqrvidti
ktnpddrriimcawnprdlplmalppshalcqfcvvnselscqlyqrsgdmglgvpfnia
syalltymiahitglkpgdfihtlgdahiylnhieplkiqlqreprpfpklrilrkveki
ddfkaedfqiegynphptikmemav

    Sequence, based on observed residues (ATOM records): (download) 
    >4o1xD (D:)
gelqylgqiqhilrcgvrkddgtlsvfgmqaryslrdefpllttkrvfwkgvleellwfi
kgstnakelsskgvkiwdangsrdfldslgfstreegdlgpvygfqwrhfgaeyrdmesd
ysgqgvdqlqrvidtiktnpddrriimcawnprdlplmalppshalcqfcvvnselscql
yqrsgdmglgvpfniasyalltymiahitglkpgdfihtlgdahiylnhieplkiqlqre
prpfpklrilrkvekiddfkaedfqiegynphptikme