PDB entry 4ixw
View 4ixw on RCSB PDB site
Description: Halohydrin dehalogenase (HheC) bound to ethyl (2S)-oxiran-2-ylacetate
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 2.03 freeze date was dated
2013-05-15, with a file datestamp of
2013-05-10.
Experiment type: XRAY
Resolution: 2.47 Å
R-factor: 0.217
AEROSPACI score: 0.31
(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 2.03: d4ixwa_ - 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 2.03: d4ixwb_ - Heterogens: CL, IXW, HOH
PDB Chain Sequences:
- Chain 'A':
Sequence, based on SEQRES records: (download)
>4ixwA (A:)
mstaivtnvkhfggmgsalrlseaghtvachdesfkhqdeleafaetypqlipmseqepv
elieavtsalghvdilvsndiapvewrpidkyavedyrdmvealqikpfalanavasqmk
rrksghiifitsaasfgpwkelstyasaragasalanalskelgehnipvfaiapngvds
gdspyyypsepwktspehvawvrkytalqrlgtqkelgelvtflasgscdyltgqvfwla
ggfpvverwpgmpe
Sequence, based on observed residues (ATOM records): (download)
>4ixwA (A:)
staivtnvkhfggmgsalrlseaghtvachdesfkhqdeleafaetypqlipmseqepve
lieavtsalghvdilvsndiapvewrpidkyavedyrdmvealqikpfalanavasqmkr
rksghiifitsaasfgpwkelstyasaragasalanalskelgehnipvfaiapngvdsg
dspyyypsepwktspehvawvrkytalqrlgtqkelgelvtflasgscdyltgqvfwlag
gfpvverwp
- Chain 'B':
Sequence, based on SEQRES records: (download)
>4ixwB (B:)
mstaivtnvkhfggmgsalrlseaghtvachdesfkhqdeleafaetypqlipmseqepv
elieavtsalghvdilvsndiapvewrpidkyavedyrdmvealqikpfalanavasqmk
rrksghiifitsaasfgpwkelstyasaragasalanalskelgehnipvfaiapngvds
gdspyyypsepwktspehvawvrkytalqrlgtqkelgelvtflasgscdyltgqvfwla
ggfpvverwpgmpe
Sequence, based on observed residues (ATOM records): (download)
>4ixwB (B:)
staivtnvkhfggmgsalrlseaghtvachdesfkhqdeleafaetypqlipmseqepve
lieavtsalghvdilvsndiapvewrpidkyavedyrdmvealqikpfalanavasqmkr
rksghiifitsaasfgpwkelstyasaragasalanalskelgehnipvfaiapngvdsg
dspyyypsepwktspehvawvrkytalqrlgtqkelgelvtflasgscdyltgqvfwlag
gfpvverwpg