PDB entry 4zge

View 4zge on RCSB PDB site
Description: Double Mutant H80W/H81W of Fe-Type Nitrile Hydratase from Comamonas testosteroni Ni1
Class: lyase
Keywords: Nitrile Hydratase, Iron, Hydrolysis, LYASE
Deposited on 2015-04-22, released 2015-07-01
The last revision prior to the SCOPe 2.08 freeze date was dated 2015-07-08, with a file datestamp of 2015-07-02.
Experiment type: XRAY
Resolution: 2.8 Å
R-factor: N/A
AEROSPACI score: 0.17 (click here for full SPACI score report)

Chains and heterogens:

• Chain 'A':
  Compound: Nitrile hydratase alpha subunit
  Species: Comamonas testosteroni [TaxId:285]
  Database cross-references and differences (RAF-indexed):
  • Uniprot J9PBS0 (0-205)
    • engineered mutation (78-79)
• Chain 'B':
  Compound: Nitrile hydratase beta subunit
  Species: Comamonas testosteroni [TaxId:285]
  Database cross-references and differences (RAF-indexed):
  • Uniprot J9PBS1 (0-205)
    • conflict (111)
  Domains in SCOPe 2.08: d4zgeb_
• Chain 'C':
  Compound: Nitrile hydratase alpha subunit
  Species: Comamonas testosteroni [TaxId:285]
  Database cross-references and differences (RAF-indexed):
  • Uniprot J9PBS0 (0-205)
    • engineered mutation (78-79)
• Chain 'D':
  Compound: Nitrile hydratase beta subunit
  Species: Comamonas testosteroni [TaxId:285]
  Database cross-references and differences (RAF-indexed):
  • Uniprot J9PBS1 (0-205)
    • conflict (111)
  Domains in SCOPe 2.08: d4zged_
• Chain 'E':
  Compound: Nitrile hydratase alpha subunit
  Species: Comamonas testosteroni [TaxId:285]
  Database cross-references and differences (RAF-indexed):
  • Uniprot J9PBS0 (0-205)
    • engineered mutation (78-79)
• Chain 'F':
  Compound: Nitrile hydratase beta subunit
  Species: Comamonas testosteroni [TaxId:285]
  Database cross-references and differences (RAF-indexed):
  • Uniprot J9PBS1 (0-205)
    • conflict (111)
  Domains in SCOPe 2.08: d4zgef_
• Chain 'G':
  Compound: Nitrile hydratase alpha subunit
  Species: Comamonas testosteroni [TaxId:285]
  Database cross-references and differences (RAF-indexed):
  • Uniprot J9PBS0 (0-205)
    • engineered mutation (78-79)
• Chain 'H':
  Compound: Nitrile hydratase beta subunit
  Species: Comamonas testosteroni [TaxId:285]
  Database cross-references and differences (RAF-indexed):
  • Uniprot J9PBS1 (0-205)
    • conflict (111)
  Domains in SCOPe 2.08: d4zgeh_
• Chain 'I':
  Compound: Nitrile hydratase alpha subunit
  Species: Comamonas testosteroni [TaxId:285]
  Database cross-references and differences (RAF-indexed):
  • Uniprot J9PBS0 (0-205)
    • engineered mutation (78-79)
• Chain 'J':
  Compound: Nitrile hydratase beta subunit
  Species: Comamonas testosteroni [TaxId:285]
  Database cross-references and differences (RAF-indexed):
  • Uniprot J9PBS1 (0-205)
    • conflict (111)
  Domains in SCOPe 2.08: d4zgej_
• Chain 'K':
  Compound: Nitrile hydratase alpha subunit
  Species: Comamonas testosteroni [TaxId:285]
  Database cross-references and differences (RAF-indexed):
  • Uniprot J9PBS0 (0-205)
    • engineered mutation (78-79)
• Chain 'L':
  Compound: Nitrile hydratase beta subunit
  Species: Comamonas testosteroni [TaxId:285]
  Database cross-references and differences (RAF-indexed):
  • Uniprot J9PBS1 (0-205)
    • conflict (111)
  Domains in SCOPe 2.08: d4zgel_
• Chain 'M':
  Compound: Nitrile hydratase alpha subunit
  Species: Comamonas testosteroni [TaxId:285]
  Database cross-references and differences (RAF-indexed):
  • Uniprot J9PBS0 (0-205)
    • engineered mutation (78-79)
• Chain 'N':
  Compound: Nitrile hydratase beta subunit
  Species: Comamonas testosteroni [TaxId:285]
  Database cross-references and differences (RAF-indexed):
  • Uniprot J9PBS1 (0-205)
    • conflict (111)
  Domains in SCOPe 2.08: d4zgen_
• Chain 'O':
  Compound: Nitrile hydratase alpha subunit
  Species: Comamonas testosteroni [TaxId:285]
  Database cross-references and differences (RAF-indexed):
  • Uniprot J9PBS0 (0-205)
    • engineered mutation (78-79)
• Chain 'P':
  Compound: Nitrile hydratase beta subunit
  Species: Comamonas testosteroni [TaxId:285]
  Database cross-references and differences (RAF-indexed):
  • Uniprot J9PBS1 (0-205)
    • conflict (111)
  Domains in SCOPe 2.08: d4zgep_
• Heterogens: FE, HOH

PDB Chain Sequences:

• Chain 'A':
  No sequence available.
  
  
• Chain 'B':
  Sequence; same for both SEQRES and ATOM records: (download)
  

  >4zgeB (B:)
  mdgmhdlggkqgfgpvikthnakafheewevkmnaisgalvskgiynmdeyrhgiermep
  rhyltasyfervfttavtlciekgvftaaeleaklgtsvplslpsspgrqppkgpeggfk
  lgqrvhvknefvpghtrfpayirgkagvvvgispaypypdaaahgeygfseptydvcfks
  kdlwpdgceaadvhvgvfqsyllsae
  

  
  
• Chain 'C':
  No sequence available.
  
  
• Chain 'D':
  Sequence; same for both SEQRES and ATOM records: (download)
  

  >4zgeD (D:)
  mdgmhdlggkqgfgpvikthnakafheewevkmnaisgalvskgiynmdeyrhgiermep
  rhyltasyfervfttavtlciekgvftaaeleaklgtsvplslpsspgrqppkgpeggfk
  lgqrvhvknefvpghtrfpayirgkagvvvgispaypypdaaahgeygfseptydvcfks
  kdlwpdgceaadvhvgvfqsyllsae
  

  
  
• Chain 'E':
  No sequence available.
  
  
• Chain 'F':
  Sequence; same for both SEQRES and ATOM records: (download)
  

  >4zgeF (F:)
  mdgmhdlggkqgfgpvikthnakafheewevkmnaisgalvskgiynmdeyrhgiermep
  rhyltasyfervfttavtlciekgvftaaeleaklgtsvplslpsspgrqppkgpeggfk
  lgqrvhvknefvpghtrfpayirgkagvvvgispaypypdaaahgeygfseptydvcfks
  kdlwpdgceaadvhvgvfqsyllsae
  

  
  
• Chain 'G':
  No sequence available.
  
  
• Chain 'H':
  Sequence; same for both SEQRES and ATOM records: (download)
  

  >4zgeH (H:)
  mdgmhdlggkqgfgpvikthnakafheewevkmnaisgalvskgiynmdeyrhgiermep
  rhyltasyfervfttavtlciekgvftaaeleaklgtsvplslpsspgrqppkgpeggfk
  lgqrvhvknefvpghtrfpayirgkagvvvgispaypypdaaahgeygfseptydvcfks
  kdlwpdgceaadvhvgvfqsyllsae
  

  
  
• Chain 'I':
  No sequence available.
  
  
• Chain 'J':
  Sequence; same for both SEQRES and ATOM records: (download)
  

  >4zgeJ (J:)
  mdgmhdlggkqgfgpvikthnakafheewevkmnaisgalvskgiynmdeyrhgiermep
  rhyltasyfervfttavtlciekgvftaaeleaklgtsvplslpsspgrqppkgpeggfk
  lgqrvhvknefvpghtrfpayirgkagvvvgispaypypdaaahgeygfseptydvcfks
  kdlwpdgceaadvhvgvfqsyllsae
  

  
  
• Chain 'K':
  No sequence available.
  
  
• Chain 'L':
  Sequence; same for both SEQRES and ATOM records: (download)
  

  >4zgeL (L:)
  mdgmhdlggkqgfgpvikthnakafheewevkmnaisgalvskgiynmdeyrhgiermep
  rhyltasyfervfttavtlciekgvftaaeleaklgtsvplslpsspgrqppkgpeggfk
  lgqrvhvknefvpghtrfpayirgkagvvvgispaypypdaaahgeygfseptydvcfks
  kdlwpdgceaadvhvgvfqsyllsae
  

  
  
• Chain 'M':
  No sequence available.
  
  
• Chain 'N':
  Sequence; same for both SEQRES and ATOM records: (download)
  

  >4zgeN (N:)
  mdgmhdlggkqgfgpvikthnakafheewevkmnaisgalvskgiynmdeyrhgiermep
  rhyltasyfervfttavtlciekgvftaaeleaklgtsvplslpsspgrqppkgpeggfk
  lgqrvhvknefvpghtrfpayirgkagvvvgispaypypdaaahgeygfseptydvcfks
  kdlwpdgceaadvhvgvfqsyllsae
  

  
  
• Chain 'O':
  No sequence available.
  
  
• Chain 'P':
  Sequence; same for both SEQRES and ATOM records: (download)
  

  >4zgeP (P:)
  mdgmhdlggkqgfgpvikthnakafheewevkmnaisgalvskgiynmdeyrhgiermep
  rhyltasyfervfttavtlciekgvftaaeleaklgtsvplslpsspgrqppkgpeggfk
  lgqrvhvknefvpghtrfpayirgkagvvvgispaypypdaaahgeygfseptydvcfks
  kdlwpdgceaadvhvgvfqsyllsae