PDB entry 2hk8

View 2hk8 on RCSB PDB site
Description: Crystal structure of shikimate dehydrogenase from aquifex aeolicus at 2.35 angstrom resolution
Class: oxidoreductase
Keywords: shikimate pathway, shikimate dehydrogenase, drug design, oxidoreductase
Deposited on 2006-07-03, released 2007-06-19
The last revision prior to the SCOPe 2.06 freeze date was dated 2009-02-24, with a file datestamp of 2009-02-03.
Experiment type: XRAY
Resolution: 2.35 Å
R-factor: 0.214
AEROSPACI score: 0.33 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Shikimate dehydrogenase
    Species: Aquifex aeolicus [TaxId:63363]
    Gene: aroE
    Database cross-references and differences (RAF-indexed):
    • Uniprot O67049 (0-End)
      • see remark 999 (194)
      • see remark 999 (232)
    Domains in SCOPe 2.06: d2hk8a1, d2hk8a2
  • Chain 'B':
    Compound: Shikimate dehydrogenase
    Species: Aquifex aeolicus [TaxId:63363]
    Gene: aroE
    Database cross-references and differences (RAF-indexed):
    • Uniprot O67049 (0-End)
      • see remark 999 (194)
      • see remark 999 (232)
    Domains in SCOPe 2.06: d2hk8b1, d2hk8b2
  • Chain 'C':
    Compound: Shikimate dehydrogenase
    Species: Aquifex aeolicus [TaxId:63363]
    Gene: aroE
    Database cross-references and differences (RAF-indexed):
    • Uniprot O67049 (0-End)
      • see remark 999 (194)
      • see remark 999 (232)
    Domains in SCOPe 2.06: d2hk8c1, d2hk8c2
  • Chain 'D':
    Compound: Shikimate dehydrogenase
    Species: Aquifex aeolicus [TaxId:63363]
    Gene: aroE
    Database cross-references and differences (RAF-indexed):
    • Uniprot O67049 (0-End)
      • see remark 999 (194)
      • see remark 999 (232)
    Domains in SCOPe 2.06: d2hk8d1, d2hk8d2
  • Chain 'E':
    Compound: Shikimate dehydrogenase
    Species: Aquifex aeolicus [TaxId:63363]
    Gene: aroE
    Database cross-references and differences (RAF-indexed):
    • Uniprot O67049 (0-End)
      • see remark 999 (194)
      • see remark 999 (232)
    Domains in SCOPe 2.06: d2hk8e1, d2hk8e2
  • Chain 'F':
    Compound: Shikimate dehydrogenase
    Species: Aquifex aeolicus [TaxId:63363]
    Gene: aroE
    Database cross-references and differences (RAF-indexed):
    • Uniprot O67049 (0-End)
      • see remark 999 (194)
      • see remark 999 (232)
    Domains in SCOPe 2.06: d2hk8f1, d2hk8f2
  • Chain 'G':
    Compound: Shikimate dehydrogenase
    Species: Aquifex aeolicus [TaxId:63363]
    Gene: aroE
    Database cross-references and differences (RAF-indexed):
    • Uniprot O67049 (0-End)
      • see remark 999 (194)
      • see remark 999 (232)
    Domains in SCOPe 2.06: d2hk8g1, d2hk8g2
  • Chain 'H':
    Compound: Shikimate dehydrogenase
    Species: Aquifex aeolicus [TaxId:63363]
    Gene: aroE
    Database cross-references and differences (RAF-indexed):
    • Uniprot O67049 (0-End)
      • see remark 999 (194)
      • see remark 999 (232)
    Domains in SCOPe 2.06: d2hk8h1, d2hk8h2
  • Heterogens: HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >2hk8A (A:)
    minaqtqlygvigfpvkhslspvfqnaliryaglnavylafeinpeelkkafegfkalkv
    kginvtvpfkeeiiplldyvedtakeigavntvkfengkaygyntdwigflkslkslipe
    vkeksilvlgaggasraviyalvkegakvflwnrtkekaiklaqkfplevvnspeevidk
    vqvivnttsvglkdedpeifnydlikkdhvvvdiiyketkllkkakekgaklldglpmll
    wqgieafkiwngcevpysvaersvrdlrg
    

    Sequence, based on observed residues (ATOM records): (download)
    >2hk8A (A:)
    minaqtqlygvigfpvkhslspvfqnaliryaglnavylafeinpeelkkafegfkalkv
    kginvtvpfkeeiiplldyvedtakeigavntvkfengkaygyntdwigflkslkslipe
    vkeksilvlgaggasraviyalvkegakvflwnrtkekaiklaqkfplevvnspeevidk
    vqvivnttsvglkdedpeifnydlikkdhvvvdiiyketkllkkakekgaklldglpmll
    wqgieafkiwngcevpysvaersvrd
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >2hk8B (B:)
    minaqtqlygvigfpvkhslspvfqnaliryaglnavylafeinpeelkkafegfkalkv
    kginvtvpfkeeiiplldyvedtakeigavntvkfengkaygyntdwigflkslkslipe
    vkeksilvlgaggasraviyalvkegakvflwnrtkekaiklaqkfplevvnspeevidk
    vqvivnttsvglkdedpeifnydlikkdhvvvdiiyketkllkkakekgaklldglpmll
    wqgieafkiwngcevpysvaersvrdlrg
    

    Sequence, based on observed residues (ATOM records): (download)
    >2hk8B (B:)
    minaqtqlygvigfpvkhslspvfqnaliryaglnavylafeinpeelkkafegfkalkv
    kginvtvpfkeeiiplldyvedtakeigavntvkfengkaygyntdwigflkslkslipe
    vkeksilvlgaggasraviyalvkegakvflwnrtkekaiklaqkfplevvnspeevidk
    vqvivnttsvglkdedpeifnydlikkdhvvvdiiyketkllkkakekgaklldglpmll
    wqgieafkiwngcevpysvaersvrd
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >2hk8C (C:)
    minaqtqlygvigfpvkhslspvfqnaliryaglnavylafeinpeelkkafegfkalkv
    kginvtvpfkeeiiplldyvedtakeigavntvkfengkaygyntdwigflkslkslipe
    vkeksilvlgaggasraviyalvkegakvflwnrtkekaiklaqkfplevvnspeevidk
    vqvivnttsvglkdedpeifnydlikkdhvvvdiiyketkllkkakekgaklldglpmll
    wqgieafkiwngcevpysvaersvrdlrg
    

    Sequence, based on observed residues (ATOM records): (download)
    >2hk8C (C:)
    minaqtqlygvigfpvkhslspvfqnaliryaglnavylafeinpeelkkafegfkalkv
    kginvtvpfkeeiiplldyvedtakeigavntvkfengkaygyntdwigflkslkslipe
    vkeksilvlgaggasraviyalvkegakvflwnrtkekaiklaqkfplevvnspeevidk
    vqvivnttsvglkdedpeifnydlikkdhvvvdiiyketkllkkakekgaklldglpmll
    wqgieafkiwngcevpysvaersvr
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >2hk8D (D:)
    minaqtqlygvigfpvkhslspvfqnaliryaglnavylafeinpeelkkafegfkalkv
    kginvtvpfkeeiiplldyvedtakeigavntvkfengkaygyntdwigflkslkslipe
    vkeksilvlgaggasraviyalvkegakvflwnrtkekaiklaqkfplevvnspeevidk
    vqvivnttsvglkdedpeifnydlikkdhvvvdiiyketkllkkakekgaklldglpmll
    wqgieafkiwngcevpysvaersvrdlrg
    

    Sequence, based on observed residues (ATOM records): (download)
    >2hk8D (D:)
    minaqtqlygvigfpvkhslspvfqnaliryaglnavylafeinpeelkkafegfkalkv
    kginvtvpfkeeiiplldyvedtakeigavntvkfengkaygyntdwigflkslkslipe
    vkeksilvlgaggasraviyalvkegakvflwnrtkekaiklaqkfplevvnspeevidk
    vqvivnttsvglkdedpeifnydlikkdhvvvdiiyketkllkkakekgaklldglpmll
    wqgieafkiwngcevpysvaersvrd
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >2hk8E (E:)
    minaqtqlygvigfpvkhslspvfqnaliryaglnavylafeinpeelkkafegfkalkv
    kginvtvpfkeeiiplldyvedtakeigavntvkfengkaygyntdwigflkslkslipe
    vkeksilvlgaggasraviyalvkegakvflwnrtkekaiklaqkfplevvnspeevidk
    vqvivnttsvglkdedpeifnydlikkdhvvvdiiyketkllkkakekgaklldglpmll
    wqgieafkiwngcevpysvaersvrdlrg
    

    Sequence, based on observed residues (ATOM records): (download)
    >2hk8E (E:)
    minaqtqlygvigfpvkhslspvfqnaliryaglnavylafeinpeelkkafegfkalkv
    kginvtvpfkeeiiplldyvedtakeigavntvkfengkaygyntdwigflkslkslipe
    vkeksilvlgaggasraviyalvkegakvflwnrtkekaiklaqkfplevvnspeevidk
    vqvivnttsvglkdedpeifnydlikkdhvvvdiiyketkllkkakekgaklldglpmll
    wqgieafkiwngcevpysvaersvrd
    

  • Chain 'F':
    Sequence, based on SEQRES records: (download)
    >2hk8F (F:)
    minaqtqlygvigfpvkhslspvfqnaliryaglnavylafeinpeelkkafegfkalkv
    kginvtvpfkeeiiplldyvedtakeigavntvkfengkaygyntdwigflkslkslipe
    vkeksilvlgaggasraviyalvkegakvflwnrtkekaiklaqkfplevvnspeevidk
    vqvivnttsvglkdedpeifnydlikkdhvvvdiiyketkllkkakekgaklldglpmll
    wqgieafkiwngcevpysvaersvrdlrg
    

    Sequence, based on observed residues (ATOM records): (download)
    >2hk8F (F:)
    minaqtqlygvigfpvkhslspvfqnaliryaglnavylafeinpeelkkafegfkalkv
    kginvtvpfkeeiiplldyvedtakeigavntvkfengkaygyntdwigflkslkslipe
    vkeksilvlgaggasraviyalvkegakvflwnrtkekaiklaqkfplevvnspeevidk
    vqvivnttsvglkdedpeifnydlikkdhvvvdiiyketkllkkakekgaklldglpmll
    wqgieafkiwngcevpysvaersv
    

  • Chain 'G':
    Sequence, based on SEQRES records: (download)
    >2hk8G (G:)
    minaqtqlygvigfpvkhslspvfqnaliryaglnavylafeinpeelkkafegfkalkv
    kginvtvpfkeeiiplldyvedtakeigavntvkfengkaygyntdwigflkslkslipe
    vkeksilvlgaggasraviyalvkegakvflwnrtkekaiklaqkfplevvnspeevidk
    vqvivnttsvglkdedpeifnydlikkdhvvvdiiyketkllkkakekgaklldglpmll
    wqgieafkiwngcevpysvaersvrdlrg
    

    Sequence, based on observed residues (ATOM records): (download)
    >2hk8G (G:)
    minaqtqlygvigfpvkhslspvfqnaliryaglnavylafeinpeelkkafegfkalkv
    kginvtvpfkeeiiplldyvedtakeigavntvkfengkaygyntdwigflkslkslipe
    vkeksilvlgaggasraviyalvkegakvflwnrtkekaiklaqkfplevvnspeevidk
    vqvivnttsvglkdedpeifnydlikkdhvvvdiiyketkllkkakekgaklldglpmll
    wqgieafkiwngcevpysvaersvrd
    

  • Chain 'H':
    Sequence, based on SEQRES records: (download)
    >2hk8H (H:)
    minaqtqlygvigfpvkhslspvfqnaliryaglnavylafeinpeelkkafegfkalkv
    kginvtvpfkeeiiplldyvedtakeigavntvkfengkaygyntdwigflkslkslipe
    vkeksilvlgaggasraviyalvkegakvflwnrtkekaiklaqkfplevvnspeevidk
    vqvivnttsvglkdedpeifnydlikkdhvvvdiiyketkllkkakekgaklldglpmll
    wqgieafkiwngcevpysvaersvrdlrg
    

    Sequence, based on observed residues (ATOM records): (download)
    >2hk8H (H:)
    minaqtqlygvigfpvkhslspvfqnaliryaglnavylafeinpeelkkafegfkalkv
    kginvtvpfkeeiiplldyvedtakeigavntvkfengkaygyntdwigflkslkslipe
    vkeksilvlgaggasraviyalvkegakvflwnrtkekaiklaqkfplevvnspeevidk
    vqvivnttsvglkdedpeifnydlikkdhvvvdiiyketkllkkakekgaklldglpmll
    wqgieafkiwngcevpysvaersvrd