PDB entry 4iy1

View 4iy1 on RCSB PDB site
Description: Structure of a 37-fold mutant of halohydrin dehalogenase (HheC) with chloride bound
Class: lyase
Keywords: thermostability, synergistic mutations, coupled mutations, proline-induced, backbone changes, enantioselectivity changes, directed evolution, protein engineering, short-chain dehydrogenase/reductase enzyme superfamily, Cyanolysis, dehalogenase, Atorvastatin synthesis, LYASE
Deposited on 2013-01-28, released 2013-02-20
The last revision prior to the SCOPe 2.06 freeze date was dated 2013-05-15, with a file datestamp of 2013-05-10.
Experiment type: XRAY
Resolution: 2.1 Å
R-factor: 0.207
AEROSPACI score: 0.39 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: halohydrin dehalogenase
    Species: Rhizobium radiobacter [TaxId:358]
    Gene: hheC
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q93D82
      • engineered mutation (36-37)
      • engineered mutation (51)
      • engineered mutation (59)
      • engineered mutation (69)
      • engineered mutation (71)
      • engineered mutation (74)
      • engineered mutation (81-83)
      • engineered mutation (85-86)
      • engineered mutation (98-99)
      • engineered mutation (106)
      • engineered mutation (111)
      • engineered mutation (120)
      • engineered mutation (133-134)
      • engineered mutation (145)
      • engineered mutation (152-153)
      • engineered mutation (165)
      • engineered mutation (173)
      • engineered mutation (176-178)
      • engineered mutation (180)
      • engineered mutation (185)
      • engineered mutation (188)
      • engineered mutation (194)
      • engineered mutation (200)
      • engineered mutation (202)
      • engineered mutation (204)
      • engineered mutation (221)
      • engineered mutation (244-245)
    Domains in SCOPe 2.06: d4iy1a_
  • Chain 'B':
    Compound: halohydrin dehalogenase
    Species: Rhizobium radiobacter [TaxId:358]
    Gene: hheC
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q93D82
      • engineered mutation (36-37)
      • engineered mutation (51)
      • engineered mutation (59)
      • engineered mutation (69)
      • engineered mutation (71)
      • engineered mutation (74)
      • engineered mutation (81-83)
      • engineered mutation (85-86)
      • engineered mutation (98-99)
      • engineered mutation (106)
      • engineered mutation (111)
      • engineered mutation (120)
      • engineered mutation (133-134)
      • engineered mutation (145)
      • engineered mutation (152-153)
      • engineered mutation (165)
      • engineered mutation (173)
      • engineered mutation (176-178)
      • engineered mutation (180)
      • engineered mutation (185)
      • engineered mutation (188)
      • engineered mutation (194)
      • engineered mutation (200)
      • engineered mutation (202)
      • engineered mutation (204)
      • engineered mutation (221)
      • engineered mutation (244-245)
    Domains in SCOPe 2.06: d4iy1b_
  • Heterogens: CL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4iy1A (A:)
    mstaivtnvkhfggmgsalrlseaghtvachdesfkhqdeleafaetypqlipmseqepv
    elieavtsalghvdilvsndiapvewrpidkyavedyrdmvealqikpfalanavasqmk
    rrksghiifitsaasfgpwkelstyasaragasalanalskelgehnipvfaiapngvds
    gdspyyypsepwktspehvawvrkytalqrlgtqkelgelvtflasgscdyltgqvfwla
    ggfpvverwpgmpe
    

    Sequence, based on observed residues (ATOM records): (download)
    >4iy1A (A:)
    staivtnvkhfggmgsalrlseaghtvachdesfkhqdeleafaetypqlipmseqepve
    lieavtsalghvdilvsndiapvewrpidkyavedyrdmvealqikpfalanavasqmkr
    rksghiifitsaasfgpwkelstyasaragasalanalskelgehnipvfaiapngvdsg
    dspyyypsepwktspehvawvrkytalqrlgtqkelgelvtflasgscdyltgqvfwlag
    gfpvverwp
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4iy1B (B:)
    mstaivtnvkhfggmgsalrlseaghtvachdesfkhqdeleafaetypqlipmseqepv
    elieavtsalghvdilvsndiapvewrpidkyavedyrdmvealqikpfalanavasqmk
    rrksghiifitsaasfgpwkelstyasaragasalanalskelgehnipvfaiapngvds
    gdspyyypsepwktspehvawvrkytalqrlgtqkelgelvtflasgscdyltgqvfwla
    ggfpvverwpgmpe
    

    Sequence, based on observed residues (ATOM records): (download)
    >4iy1B (B:)
    staivtnvkhfggmgsalrlseaghtvachdesfkhqdeleafaetypqlipmseqepve
    lieavtsalghvdilvsndiapvewrpidkyavedyrdmvealqikpfalanavasqmkr
    rksghiifitsaasfgpwkelstyasaragasalanalskelgehnipvfaiapngvdsg
    dspyyypsepwktspehvawvrkytalqrlgtqkelgelvtflasgscdyltgqvfwlag
    gfpvverwpg