PDB entry 4zgj

View 4zgj on RCSB PDB site
Description: Double Mutant H80A/H81A of Fe-Type Nitrile Hydratase from Comamonas testosteroni Ni1
Class: lyase
Keywords: Nitrile Hydratase, Iron, Hydrolysis, LYASE
Deposited on 2015-04-23, released 2015-07-01
The last revision prior to the SCOPe 2.06 freeze date was dated 2015-07-08, with a file datestamp of 2015-07-02.
Experiment type: XRAY
Resolution: 2 Å
R-factor: N/A
AEROSPACI score: 0.32 (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 2.06: d4zgjb_
  • 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 2.06: d4zgjd_
  • 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 2.06: d4zgjf_
  • 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 2.06: d4zgjh_
  • 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 2.06: d4zgjj_
  • 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 2.06: d4zgjl_
  • 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 2.06: d4zgjn_
  • 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 2.06: d4zgjp_
  • Heterogens: FE, HOH

PDB Chain Sequences:

  • Chain 'A':
    No sequence available.

  • Chain 'B':
    Sequence; same for both SEQRES and ATOM records: (download)
    >4zgjB (B:)
    mdgmhdlggkqgfgpvikthnakafheewevkmnaisgalvskgiynmdeyrhgiermep
    rhyltasyfervfttavtlciekgvftaaeleaklgtsvplslpsspgrqppkgpeggfk
    lgqrvhvknefvpghtrfpayirgkagvvvgispaypypdaaahgeygfseptydvcfks
    kdlwpdgceaadvhvgvfqsyllsae
    

  • Chain 'C':
    No sequence available.

  • Chain 'D':
    Sequence; same for both SEQRES and ATOM records: (download)
    >4zgjD (D:)
    mdgmhdlggkqgfgpvikthnakafheewevkmnaisgalvskgiynmdeyrhgiermep
    rhyltasyfervfttavtlciekgvftaaeleaklgtsvplslpsspgrqppkgpeggfk
    lgqrvhvknefvpghtrfpayirgkagvvvgispaypypdaaahgeygfseptydvcfks
    kdlwpdgceaadvhvgvfqsyllsae
    

  • Chain 'E':
    No sequence available.

  • Chain 'F':
    Sequence; same for both SEQRES and ATOM records: (download)
    >4zgjF (F:)
    mdgmhdlggkqgfgpvikthnakafheewevkmnaisgalvskgiynmdeyrhgiermep
    rhyltasyfervfttavtlciekgvftaaeleaklgtsvplslpsspgrqppkgpeggfk
    lgqrvhvknefvpghtrfpayirgkagvvvgispaypypdaaahgeygfseptydvcfks
    kdlwpdgceaadvhvgvfqsyllsae
    

  • Chain 'G':
    No sequence available.

  • Chain 'H':
    Sequence; same for both SEQRES and ATOM records: (download)
    >4zgjH (H:)
    mdgmhdlggkqgfgpvikthnakafheewevkmnaisgalvskgiynmdeyrhgiermep
    rhyltasyfervfttavtlciekgvftaaeleaklgtsvplslpsspgrqppkgpeggfk
    lgqrvhvknefvpghtrfpayirgkagvvvgispaypypdaaahgeygfseptydvcfks
    kdlwpdgceaadvhvgvfqsyllsae
    

  • Chain 'I':
    No sequence available.

  • Chain 'J':
    Sequence; same for both SEQRES and ATOM records: (download)
    >4zgjJ (J:)
    mdgmhdlggkqgfgpvikthnakafheewevkmnaisgalvskgiynmdeyrhgiermep
    rhyltasyfervfttavtlciekgvftaaeleaklgtsvplslpsspgrqppkgpeggfk
    lgqrvhvknefvpghtrfpayirgkagvvvgispaypypdaaahgeygfseptydvcfks
    kdlwpdgceaadvhvgvfqsyllsae
    

  • Chain 'K':
    No sequence available.

  • Chain 'L':
    Sequence; same for both SEQRES and ATOM records: (download)
    >4zgjL (L:)
    mdgmhdlggkqgfgpvikthnakafheewevkmnaisgalvskgiynmdeyrhgiermep
    rhyltasyfervfttavtlciekgvftaaeleaklgtsvplslpsspgrqppkgpeggfk
    lgqrvhvknefvpghtrfpayirgkagvvvgispaypypdaaahgeygfseptydvcfks
    kdlwpdgceaadvhvgvfqsyllsae
    

  • Chain 'M':
    No sequence available.

  • Chain 'N':
    Sequence; same for both SEQRES and ATOM records: (download)
    >4zgjN (N:)
    mdgmhdlggkqgfgpvikthnakafheewevkmnaisgalvskgiynmdeyrhgiermep
    rhyltasyfervfttavtlciekgvftaaeleaklgtsvplslpsspgrqppkgpeggfk
    lgqrvhvknefvpghtrfpayirgkagvvvgispaypypdaaahgeygfseptydvcfks
    kdlwpdgceaadvhvgvfqsyllsae
    

  • Chain 'O':
    No sequence available.

  • Chain 'P':
    Sequence; same for both SEQRES and ATOM records: (download)
    >4zgjP (P:)
    mdgmhdlggkqgfgpvikthnakafheewevkmnaisgalvskgiynmdeyrhgiermep
    rhyltasyfervfttavtlciekgvftaaeleaklgtsvplslpsspgrqppkgpeggfk
    lgqrvhvknefvpghtrfpayirgkagvvvgispaypypdaaahgeygfseptydvcfks
    kdlwpdgceaadvhvgvfqsyllsae