PDB entry 3a8m
View 3a8m on RCSB PDB site
Description: Crystal structure of Nitrile Hydratase mutant Y72F complexed with Trimethylacetonitrile
Class: lyase
Keywords: nitrile hydratase, Fe, Iron, Lyase, Metal-binding, Oxidation
Deposited on
2009-10-06, released
2010-04-14
The last revision prior to the SCOPe 2.05 freeze date was dated
2014-01-22, with a file datestamp of
2014-01-17.
Experiment type: XRAY
Resolution: 1.32 Å
R-factor: 0.157
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]
Database cross-references and differences (RAF-indexed):
Domains in SCOPe 2.05: d3a8ma_ - Chain 'B':
Compound: Nitrile hydratase subunit beta
Species: Rhodococcus erythropolis [TaxId:1833]
Database cross-references and differences (RAF-indexed):
Domains in SCOPe 2.05: d3a8mb_ - Heterogens: FE, MG, TAN, HOH
PDB Chain Sequences:
- Chain 'A':
Sequence, based on SEQRES records: (download)
>3a8mA (A:)
msvtidhttenaapaqapvsdrawalfraldgkglvpdgyvegwkktfeedfsprrgael
varawtdpefrqllltdgtaavaqygylgpqgeyivavedtptlknvivcslcsctawpi
lglpptwyksfeyrarvvreprkvlsemgteiasdieirvydttaetrymvlpqrpagte
gwsqeqlqeivtkdcligvaipqvptv
Sequence, based on observed residues (ATOM records): (download)
>3a8mA (A:)
enaapaqapvsdrawalfraldgkglvpdgyvegwkktfeedfsprrgaelvarawtdpe
frqllltdgtaavaqygylgpqgeyivavedtptlknvivcslcsctawpilglpptwyk
sfeyrarvvreprkvlsemgteiasdieirvydttaetrymvlpqrpagtegwsqeqlqe
ivtkdcligvaipqvpt
- Chain 'B':
Sequence; same for both SEQRES and ATOM records: (download)
>3a8mB (B:)
mdgvhdlagvqgfgkvphtvnadigptfhaewehlpyslmfagvaelgafsvdevryvve
rmeprhymmtpfyeryvigvatlmvekgiltqdeleslaggpfplsrpsesegrpapvet
ttfevgqrvrvrdeyvpghirmpaycrgrvgtishrttekwpfpdaighgrndageepty
hvkfaaeelfgsdtdggsvvvdlfegylepaa