PDB entry 4isk

View 4isk on RCSB PDB site
Description: Crystal structure of E.coli thymidylate synthase with dUMP and the BGC 945 inhibitor
Class: transferase/transferase inhibitor
Keywords: alpha/beta protein, methylase, METHYLTRANSFERASE, dUMP subtrate, TRANSFERASE-TRANSFERASE INHIBITOR complex
Deposited on 2013-01-16, released 2013-12-25
The last revision prior to the SCOPe 2.03 freeze date was dated 2013-12-25, with a file datestamp of 2013-12-20.
Experiment type: XRAY
Resolution: 1.75 Å
R-factor: 0.185
AEROSPACI score: 0.44 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Thymidylate synthase
    Species: Escherichia coli [TaxId:83333]
    Gene: thyA, b2827, JW2795
    Database cross-references and differences (RAF-indexed):
    • Uniprot P0A884 (1-263)
      • expression tag (0)
    Domains in SCOPe 2.03: d4iska_
  • Chain 'B':
    Compound: Thymidylate synthase
    Species: Escherichia coli [TaxId:83333]
    Gene: thyA, b2827, JW2795
    Database cross-references and differences (RAF-indexed):
    • Uniprot P0A884 (1-263)
      • expression tag (0)
    Domains in SCOPe 2.03: d4iskb_
  • Chain 'C':
    Compound: Thymidylate synthase
    Species: Escherichia coli [TaxId:83333]
    Gene: thyA, b2827, JW2795
    Database cross-references and differences (RAF-indexed):
    • Uniprot P0A884 (1-263)
      • expression tag (0)
    Domains in SCOPe 2.03: d4iskc_
  • Chain 'D':
    Compound: Thymidylate synthase
    Species: Escherichia coli [TaxId:83333]
    Gene: thyA, b2827, JW2795
    Database cross-references and differences (RAF-indexed):
    • Uniprot P0A884 (1-263)
      • expression tag (0)
    Domains in SCOPe 2.03: d4iskd_
  • Chain 'E':
    Compound: Thymidylate synthase
    Species: Escherichia coli [TaxId:83333]
    Gene: thyA, b2827, JW2795
    Database cross-references and differences (RAF-indexed):
    • Uniprot P0A884 (1-263)
      • expression tag (0)
    Domains in SCOPe 2.03: d4iske_
  • Chain 'F':
    Compound: Thymidylate synthase
    Species: Escherichia coli [TaxId:83333]
    Gene: thyA, b2827, JW2795
    Database cross-references and differences (RAF-indexed):
    • Uniprot P0A884 (1-263)
      • expression tag (0)
    Domains in SCOPe 2.03: d4iskf_
  • Chain 'G':
    Compound: Thymidylate synthase
    Species: Escherichia coli [TaxId:83333]
    Gene: thyA, b2827, JW2795
    Database cross-references and differences (RAF-indexed):
    • Uniprot P0A884 (1-263)
      • expression tag (0)
    Domains in SCOPe 2.03: d4iskg_
  • Chain 'H':
    Compound: Thymidylate synthase
    Species: Escherichia coli [TaxId:83333]
    Gene: thyA, b2827, JW2795
    Database cross-references and differences (RAF-indexed):
    • Uniprot P0A884 (1-263)
      • expression tag (0)
    Domains in SCOPe 2.03: d4iskh_
  • Heterogens: UMP, MG, UMC, 1JY, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >4iskA (A:)
mkqylelmqkvldegtqkndrtgtgtlsifghqmrfnlqdgfplvttkrchlrsiihell
wflqgdtniaylhennvtiwdewadengdlgpvygkqwrawptpdgrhidqittvlnqlk
ndpdsrriivsawnvgeldkmalapchaffqfyvadgklscqlyqrscdvflglpfnias
yallvhmmaqqcdlevgdfvwtggdthlysnhmdqthlqlsreprplpkliikrkpesif
dyrfedfeiegydphpgikapvai

  • Chain 'B':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >4iskB (B:)
mkqylelmqkvldegtqkndrtgtgtlsifghqmrfnlqdgfplvttkrchlrsiihell
wflqgdtniaylhennvtiwdewadengdlgpvygkqwrawptpdgrhidqittvlnqlk
ndpdsrriivsawnvgeldkmalapchaffqfyvadgklscqlyqrscdvflglpfnias
yallvhmmaqqcdlevgdfvwtggdthlysnhmdqthlqlsreprplpkliikrkpesif
dyrfedfeiegydphpgikapvai

  • Chain 'C':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >4iskC (C:)
mkqylelmqkvldegtqkndrtgtgtlsifghqmrfnlqdgfplvttkrchlrsiihell
wflqgdtniaylhennvtiwdewadengdlgpvygkqwrawptpdgrhidqittvlnqlk
ndpdsrriivsawnvgeldkmalapchaffqfyvadgklscqlyqrscdvflglpfnias
yallvhmmaqqcdlevgdfvwtggdthlysnhmdqthlqlsreprplpkliikrkpesif
dyrfedfeiegydphpgikapvai

  • Chain 'D':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >4iskD (D:)
mkqylelmqkvldegtqkndrtgtgtlsifghqmrfnlqdgfplvttkrchlrsiihell
wflqgdtniaylhennvtiwdewadengdlgpvygkqwrawptpdgrhidqittvlnqlk
ndpdsrriivsawnvgeldkmalapchaffqfyvadgklscqlyqrscdvflglpfnias
yallvhmmaqqcdlevgdfvwtggdthlysnhmdqthlqlsreprplpkliikrkpesif
dyrfedfeiegydphpgikapvai

  • Chain 'E':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >4iskE (E:)
mkqylelmqkvldegtqkndrtgtgtlsifghqmrfnlqdgfplvttkrchlrsiihell
wflqgdtniaylhennvtiwdewadengdlgpvygkqwrawptpdgrhidqittvlnqlk
ndpdsrriivsawnvgeldkmalapchaffqfyvadgklscqlyqrscdvflglpfnias
yallvhmmaqqcdlevgdfvwtggdthlysnhmdqthlqlsreprplpkliikrkpesif
dyrfedfeiegydphpgikapvai

  • Chain 'F':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >4iskF (F:)
mkqylelmqkvldegtqkndrtgtgtlsifghqmrfnlqdgfplvttkrchlrsiihell
wflqgdtniaylhennvtiwdewadengdlgpvygkqwrawptpdgrhidqittvlnqlk
ndpdsrriivsawnvgeldkmalapchaffqfyvadgklscqlyqrscdvflglpfnias
yallvhmmaqqcdlevgdfvwtggdthlysnhmdqthlqlsreprplpkliikrkpesif
dyrfedfeiegydphpgikapvai

  • Chain 'G':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >4iskG (G:)
mkqylelmqkvldegtqkndrtgtgtlsifghqmrfnlqdgfplvttkrchlrsiihell
wflqgdtniaylhennvtiwdewadengdlgpvygkqwrawptpdgrhidqittvlnqlk
ndpdsrriivsawnvgeldkmalapchaffqfyvadgklscqlyqrscdvflglpfnias
yallvhmmaqqcdlevgdfvwtggdthlysnhmdqthlqlsreprplpkliikrkpesif
dyrfedfeiegydphpgikapvai

  • Chain 'H':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >4iskH (H:)
mkqylelmqkvldegtqkndrtgtgtlsifghqmrfnlqdgfplvttkrchlrsiihell
wflqgdtniaylhennvtiwdewadengdlgpvygkqwrawptpdgrhidqittvlnqlk
ndpdsrriivsawnvgeldkmalapchaffqfyvadgklscqlyqrscdvflglpfnias
yallvhmmaqqcdlevgdfvwtggdthlysnhmdqthlqlsreprplpkliikrkpesif
dyrfedfeiegydphpgikapvai