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 2.06 freeze date was dated 2014-02-12, with a file datestamp of 2014-02-07.
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 2.06: d4iska1, d4iska2
  • 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 2.06: d4iskb1, d4iskb2
  • 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 2.06: d4iskc1, d4iskc2
  • 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 2.06: d4iskd1, d4iskd2
  • 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 2.06: d4iske1, d4iske2
  • 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 2.06: d4iskf1, d4iskf2
  • 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 2.06: d4iskg1, d4iskg2
  • 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 2.06: d4iskh1, d4iskh2
  • 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