PDB entry 3wve

View 3wve on RCSB PDB site
Description: Crystal structure of Nitrile Hydratase mutant bR56K complexed with Trimethylacetonitrile, before photo-activation
Class: lyase
Keywords: cysteine sulfinic acid, Cys-SO2H, Cys-SOH, LYASE
Deposited on 2014-05-17, released 2015-06-17
The last revision prior to the SCOPe 2.06 freeze date was dated 2015-11-04, with a file datestamp of 2015-10-30.
Experiment type: XRAY
Resolution: 1.57 Å
R-factor: N/A
AEROSPACI score: 0.46 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Nitrile hydratase subunit alpha
    Species: Rhodococcus erythropolis [TaxId:1833]
    Gene: nthA
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3wvea_
  • Chain 'B':
    Compound: Nitrile hydratase subunit beta
    Species: Rhodococcus erythropolis [TaxId:1833]
    Gene: nthB, nha2
    Database cross-references and differences (RAF-indexed):
    • Uniprot P13449 (0-211)
      • engineered mutation (55)
    Domains in SCOPe 2.06: d3wveb_
  • Heterogens: FE, NO, MG, CL, TAN, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3wveA (A:)
msvtidhttenaapaqapvsdrawalfraldgkglvpdgyvegwkktfeedfsprrgael
varawtdpefrqllltdgtaavaqygylgpqgeyivavedtptlknvivcslcsctawpi
lglpptwyksfeyrarvvreprkvlsemgteiasdieirvydttaetrymvlpqrpagte
gwsqeqlqeivtkdcligvaipqvptv

    Sequence, based on observed residues (ATOM records): (download) 
    >3wveA (A:)
aqapvsdrawalfraldgkglvpdgyvegwkktfeedfsprrgaelvarawtdpefrqll
ltdgtaavaqygylgpqgeyivavedtptlknvivcslcsctawpilglpptwyksfeyr
arvvreprkvlsemgteiasdieirvydttaetrymvlpqrpagtegwsqeqlqeivtkd
cligvaipqvpt

  • Chain 'B':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >3wveB (B:)
mdgvhdlagvqgfgkvphtvnadigptfhaewehlpyslmfagvaelgafsvdevkyvve
rmeprhymmtpyyeryvigvatlmvekgiltqdeleslaggpfplsrpsesegrpapvet
ttfevgqrvrvrdeyvpghirmpaycrgrvgtishrttekwpfpdaighgrndageepty
hvkfaaeelfgsdtdggsvvvdlfegylepaa