PDB entry 3x20

View 3x20 on RCSB PDB site
Description: Crystal structure of Nitrile Hydratase mutant bR56K complexed with Trimethylacetonitrile, photo-activated for 25 min
Class: lyase
Keywords: hydratase, LYASE
Deposited on 2014-12-03, released 2016-01-27
The last revision prior to the SCOPe 2.08 freeze date was dated 2016-01-27, with a file datestamp of 2016-01-22.
Experiment type: XRAY
Resolution: 1.18 Å
R-factor: N/A
AEROSPACI score: 0.67 (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 2.08: d3x20a_
  • Chain 'B':
    Compound: Nitrile hydratase subunit beta
    Species: Rhodococcus erythropolis [TaxId:1833]
    Gene: nha2, nthB
    Database cross-references and differences (RAF-indexed):
    • Uniprot P13449 (0-211)
      • engineered mutation (55)
    Domains in SCOPe 2.08: d3x20b_
  • Heterogens: FE, TAN, MG, CL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3x20A (A:)
msvtidhttenaapaqapvsdrawalfraldgkglvpdgyvegwkktfeedfsprrgael
varawtdpefrqllltdgtaavaqygylgpqgeyivavedtptlknvivcslcsctawpi
lglpptwyksfeyrarvvreprkvlsemgteiasdieirvydttaetrymvlpqrpagte
gwsqeqlqeivtkdcligvaipqvptv

    Sequence, based on observed residues (ATOM records): (download) 
    >3x20A (A:)
enaapaqapvsdrawalfraldgkglvpdgyvegwkktfeedfsprrgaelvarawtdpe
frqllltdgtaavaqygylgpqgeyivavedtptlknvivcslcsctawpilglpptwyk
sfeyrarvvreprkvlsemgteiasdieirvydttaetrymvlpqrpagtegwsqeqlqe
ivtkdcligvaipqvpt

  • Chain 'B':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >3x20B (B:)
mdgvhdlagvqgfgkvphtvnadigptfhaewehlpyslmfagvaelgafsvdevkyvve
rmeprhymmtpyyeryvigvatlmvekgiltqdeleslaggpfplsrpsesegrpapvet
ttfevgqrvrvrdeyvpghirmpaycrgrvgtishrttekwpfpdaighgrndageepty
hvkfaaeelfgsdtdggsvvvdlfegylepaa