PDB entry 3n5e

View 3n5e on RCSB PDB site
Description: Crystal Structure of human thymidylate synthase bound to a peptide inhibitor
Deposited on 2010-05-25, released 2011-06-08
The last revision was dated 2013-07-24, with a file datestamp of 2013-07-19.
Experiment type: XRAY
Resolution: 2.26 Å
R-factor: 0.189
AEROSPACI score: 0.38 (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):
  • Chain 'B':
    Compound: Thymidylate synthase
    Species: Homo sapiens [TaxId:9606]
    Gene: TYMS, TS, OK/SW-cl.29
    Database cross-references and differences (RAF-indexed):
  • Chain 'D':
    Compound: Synthetic peptide LR
    Species: synthetic, synthetic
    Database cross-references and differences (RAF-indexed):
    • PDB 3N5E (0-7)
  • Heterogens: SO4, HOH

PDB Chain Sequences:
This PDB entry is not classified in SCOPe 2.07, so the chain sequences below are not included in the ASTRAL sequence sets.

  • Chain 'A':
    Sequence, based on SEQRES records:
    >3n5eA (A:)
    mrgshhhhhhgsmpvagselprrplppaaqerdaeprpphgelqylgqiqhilrcgvrkd
    drtgtgtlsvfgmqaryslrdefpllttkrvfwkgvleellwfikgstnakelsskgvki
    wdangsrdfldslgfstreegdlgpvygfqwrhfgaeyrdmesdysgqgvdqlqrvidti
    ktnpddrriimcawnprdlplmalppchalcqfyvvnselscqlyqrsgdmglgvpfnia
    syalltymiahitglkpgdfihtlgdahiylnhieplkiqlqreprpfpklrilrkveki
    ddfkaedfqiegynphptikmemav
    

    Sequence, based on observed residues (ATOM records):
    >3n5eA (A:)
    pphgelqylgqiqhilrcgvrkddrtgtgtlsvfgmqaryslrdefpllttkrvfwkgvl
    eellwfikgstnakelsskgvkdlgpvygfqwrhfgaeyrdmesdysgqgvdqlqrvidt
    iktnpddrriimcawnprdlplmalppchalcqfyvvnselscqlyqrsgdmglgvpfni
    asyalltymiahitglkpgdfihtlgdahiylnhieplkiqlqreprpfpklrilrkvek
    iddfkaedfqiegynphptikme
    

  • Chain 'B':
    Sequence, based on SEQRES records:
    >3n5eB (B:)
    mrgshhhhhhgsmpvagselprrplppaaqerdaeprpphgelqylgqiqhilrcgvrkd
    drtgtgtlsvfgmqaryslrdefpllttkrvfwkgvleellwfikgstnakelsskgvki
    wdangsrdfldslgfstreegdlgpvygfqwrhfgaeyrdmesdysgqgvdqlqrvidti
    ktnpddrriimcawnprdlplmalppchalcqfyvvnselscqlyqrsgdmglgvpfnia
    syalltymiahitglkpgdfihtlgdahiylnhieplkiqlqreprpfpklrilrkveki
    ddfkaedfqiegynphptikmemav
    

    Sequence, based on observed residues (ATOM records):
    >3n5eB (B:)
    pphgelqylgqiqhilrcgvrkddrtgtgtlsvfgmqaryslrdefpllttkrvfwkgvl
    eellwfikgstnakelsskgvkdlgpvygfqwrhfgaeyrdmesdysgqgvdqlqrvidt
    iktnpddrriimcawnprdlplmalppchalcqfyvvnselscqlyqrsgdmglgvpfni
    asyalltymiahitglkpgdfihtlgdahiylnhieplkiqlqreprpfpklrilrkvek
    iddfkaedfqiegynphptikme
    

  • Chain 'D':
    Sequence; same for both SEQRES and ATOM records:
    >3n5eD (D:)
    lscqlyqr