PDB entry 3s42

View 3s42 on RCSB PDB site
Description: Crystal Structure of the 3-Dehydroquinate Dehydratase (aroD) from Salmonella enterica Typhimurium LT2 with Malonate and Boric Acid at the Active Site
Class: lyase
Keywords: Structural Genomics, Center for Structural Genomics of Infectious Diseases, CSGID, TIM BARREL, LYASE
Deposited on 2011-05-18, released 2011-06-01
The last revision prior to the SCOPe 2.03 freeze date was dated 2011-06-01, with a file datestamp of 2011-05-27.
Experiment type: XRAY
Resolution: 1.45 Å
R-factor: 0.145
AEROSPACI score: 0.69 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: 3-dehydroquinate dehydratase
    Species: Salmonella enterica subsp. enterica serovar Typhimurium [TaxId:90371]
    Gene: aroD, STM1358
    Database cross-references and differences (RAF-indexed):
    • Uniprot P58687 (24-275)
      • expression tag (16-23)
    Domains in SCOPe 2.03: d3s42a_
  • Chain 'B':
    Compound: 3-dehydroquinate dehydratase
    Species: Salmonella enterica subsp. enterica serovar Typhimurium [TaxId:90371]
    Gene: aroD, STM1358
    Database cross-references and differences (RAF-indexed):
    • Uniprot P58687 (24-275)
      • expression tag (0-5)
      • expression tag (16-23)
    Domains in SCOPe 2.03: d3s42b1
  • Heterogens: MLA, DMS, NI, IMD, BO3, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3s42A (A:)
mhhhhhhssgvdlgtenlyfqsnamktvtvrdlvvgegapkiivslmgktitdvkseala
yreadfdilewrvdhfanvttaesvleaagaireiitdkpllftfrsakeggeqalttgq
yidlnraavdsglvdmidlelftgddevkatvgyahqhnvavimsnhdfhktpaaeeivq
rlrkmqelgadipkiavmpqtkadvltlltatvemqeryadrpiitmsmsktgvisrlag
evfgsaatfgavkkasapgqisvadlrtvltilhqa

    Sequence, based on observed residues (ATOM records): (download) 
    >3s42A (A:)
nlyfqsnamktvtvrdlvvgegapkiivslmgktitdvksealayreadfdilewrvdhf
anvttaesvleaagaireiitdkpllftfrsakeggeqalttgqyidlnraavdsglvdm
idlelftgddevkatvgyahqhnvavimsnhdfhktpaaeeivqrlrkmqelgadipkia
vmpqtkadvltlltatvemqeryadrpiitmsmsktgvisrlagevfgsaatfgavkkas
apgqisvadlrtvltilhqa

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >3s42B (B:)
mhhhhhhssgvdlgtenlyfqsnamktvtvrdlvvgegapkiivslmgktitdvkseala
yreadfdilewrvdhfanvttaesvleaagaireiitdkpllftfrsakeggeqalttgq
yidlnraavdsglvdmidlelftgddevkatvgyahqhnvavimsnhdfhktpaaeeivq
rlrkmqelgadipkiavmpqtkadvltlltatvemqeryadrpiitmsmsktgvisrlag
evfgsaatfgavkkasapgqisvadlrtvltilhqa

    Sequence, based on observed residues (ATOM records): (download) 
    >3s42B (B:)
mhhhhhnlyfqsnamktvtvrdlvvgegapkiivslmgktitdvksealayreadfdile
wrvdhfanvttaesvleaagaireiitdkpllftfrsakeggeqalttgqyidlnraavd
sglvdmidlelftgddevkatvgyahqhnvavimsnhdfhktpaaeeivqrlrkmqelga
dipkiavmpqtkadvltlltatvemqeryadrpiitmsmsktgvisrlagevfgsaatfg
avkkasapgqisvadlrtvltilhqa