PDB entry 2hk9

View 2hk9 on RCSB PDB site
Description: Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 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 2.03 freeze date was dated 2009-02-24, with a file datestamp of 2009-03-01.
Experiment type: XRAY
Resolution: 2.2 Å
R-factor: 0.207
AEROSPACI score: 0.36 (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 (6-274)
      • see remark 999 (200)
      • see remark 999 (238)
    Domains in SCOPe 2.03: d2hk9a1, d2hk9a2
  • Chain 'B':
    Compound: Shikimate dehydrogenase
    Species: Aquifex aeolicus [TaxId:63363]
    Gene: aroE
    Database cross-references and differences (RAF-indexed):
    • Uniprot O67049 (6-End)
      • see remark 999 (200)
      • see remark 999 (238)
    Domains in SCOPe 2.03: d2hk9b1, d2hk9b2
  • Chain 'C':
    Compound: Shikimate dehydrogenase
    Species: Aquifex aeolicus [TaxId:63363]
    Gene: aroE
    Database cross-references and differences (RAF-indexed):
    • Uniprot O67049 (6-End)
      • see remark 999 (200)
      • see remark 999 (238)
    Domains in SCOPe 2.03: d2hk9c1, d2hk9c2
  • Chain 'D':
    Compound: Shikimate dehydrogenase
    Species: Aquifex aeolicus [TaxId:63363]
    Gene: aroE
    Database cross-references and differences (RAF-indexed):
    • Uniprot O67049 (6-End)
      • see remark 999 (200)
      • see remark 999 (238)
    Domains in SCOPe 2.03: d2hk9d1, d2hk9d2
  • Heterogens: ATR, SKM, NAP, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >2hk9A (A:)
hhhhhhminaqtqlygvigfpvkhslspvfqnaliryaglnavylafeinpeelkkafeg
fkalkvkginvtvpfkeeiiplldyvedtakeigavntvkfengkaygyntdwigflksl
kslipevkeksilvlgaggasraviyalvkegakvflwnrtkekaiklaqkfplevvnsp
eevidkvqvivnttsvglkdedpeifnydlikkdhvvvdiiyketkllkkakekgaklld
glpmllwqgieafkiwngcevpysvaersvrdlrg

    Sequence, based on observed residues (ATOM records): (download) 
    >2hk9A (A:)
minaqtqlygvigfpvkhslspvfqnaliryaglnavylafeinpeelkkafegfkalkv
kginvtvpfkeeiiplldyvedtakeigavntvkfengkaygyntdwigflkslkslipe
vkeksilvlgaggasraviyalvkegakvflwnrtkekaiklaqkfplevvnspeevidk
vqvivnttsvglkdedpeifnydlikkdhvvvdiiyketkllkkakekgaklldglpmll
wqgieafkiwngcevpysvaersvrdlrg

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >2hk9B (B:)
hhhhhhminaqtqlygvigfpvkhslspvfqnaliryaglnavylafeinpeelkkafeg
fkalkvkginvtvpfkeeiiplldyvedtakeigavntvkfengkaygyntdwigflksl
kslipevkeksilvlgaggasraviyalvkegakvflwnrtkekaiklaqkfplevvnsp
eevidkvqvivnttsvglkdedpeifnydlikkdhvvvdiiyketkllkkakekgaklld
glpmllwqgieafkiwngcevpysvaersvrdlrg

    Sequence, based on observed residues (ATOM records): (download) 
    >2hk9B (B:)
minaqtqlygvigfpvkhslspvfqnaliryaglnavylafeinpeelkkafegfkalkv
kginvtvpfkeeiiplldyvedtakeigavntvkfengkaygyntdwigflkslkslipe
vkeksilvlgaggasraviyalvkegakvflwnrtkekaiklaqkfplevvnspeevidk
vqvivnttsvglkdedpeifnydlikkdhvvvdiiyketkllkkakekgaklldglpmll
wqgieafkiwngcevpysvaersvrdl

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >2hk9C (C:)
hhhhhhminaqtqlygvigfpvkhslspvfqnaliryaglnavylafeinpeelkkafeg
fkalkvkginvtvpfkeeiiplldyvedtakeigavntvkfengkaygyntdwigflksl
kslipevkeksilvlgaggasraviyalvkegakvflwnrtkekaiklaqkfplevvnsp
eevidkvqvivnttsvglkdedpeifnydlikkdhvvvdiiyketkllkkakekgaklld
glpmllwqgieafkiwngcevpysvaersvrdlrg

    Sequence, based on observed residues (ATOM records): (download) 
    >2hk9C (C:)
minaqtqlygvigfpvkhslspvfqnaliryaglnavylafeinpeelkkafegfkalkv
kginvtvpfkeeiiplldyvedtakeigavntvkfengkaygyntdwigflkslkslipe
vkeksilvlgaggasraviyalvkegakvflwnrtkekaiklaqkfplevvnspeevidk
vqvivnttsvglkdedpeifnydlikkdhvvvdiiyketkllkkakekgaklldglpmll
wqgieafkiwngcevpysvaersvrd

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >2hk9D (D:)
hhhhhhminaqtqlygvigfpvkhslspvfqnaliryaglnavylafeinpeelkkafeg
fkalkvkginvtvpfkeeiiplldyvedtakeigavntvkfengkaygyntdwigflksl
kslipevkeksilvlgaggasraviyalvkegakvflwnrtkekaiklaqkfplevvnsp
eevidkvqvivnttsvglkdedpeifnydlikkdhvvvdiiyketkllkkakekgaklld
glpmllwqgieafkiwngcevpysvaersvrdlrg

    Sequence, based on observed residues (ATOM records): (download) 
    >2hk9D (D:)
minaqtqlygvigfpvkhslspvfqnaliryaglnavylafeinpeelkkafegfkalkv
kginvtvpfkeeiiplldyvedtakeigavntvkfengkaygyntdwigflkslkslipe
vkeksilvlgaggasraviyalvkegakvflwnrtkekaiklaqkfplevvnspeevidk
vqvivnttsvglkdedpeifnydlikkdhvvvdiiyketkllkkakekgaklldglpmll
wqgieafkiwngcevpysvaersvrd