PDB entry 4ixt
View 4ixt on RCSB PDB site
Description: Structure of a 37-fold mutant of halohydrin dehalogenase (HheC) bound to ethyl (R)-4-cyano-3-hydroxybutyrate
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: 2.49 Å
R-factor: 0.202
AEROSPACI score: 0.32
(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: d4ixta_ - 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: d4ixtb_ - Heterogens: 1H1, CL, HOH
PDB Chain Sequences:
- Chain 'A':
Sequence, based on SEQRES records: (download)
>4ixtA (A:)
mstaivtnvkhfggmgsalrlseaghtvachdesfkhqdeleafaetypqlipmseqepv
elieavtsalghvdilvsndiapvewrpidkyavedyrdmvealqikpfalanavasqmk
rrksghiifitsaasfgpwkelstyasaragasalanalskelgehnipvfaiapngvds
gdspyyypsepwktspehvawvrkytalqrlgtqkelgelvtflasgscdyltgqvfwla
ggfpvverwpgmpe
Sequence, based on observed residues (ATOM records): (download)
>4ixtA (A:)
staivtnvkhfggmgsalrlseaghtvachdesfkhqdeleafaetypqlipmseqepve
lieavtsalghvdilvsndiapvewrpidkyavedyrdmvealqikpfalanavasqmkr
rksghiifitsaasfgpwkelstyasaragasalanalskelgehnipvfaiapngvdsg
dspyyypsepwktspehvawvrkytalqrlgtqkelgelvtflasgscdyltgqvfwlag
gfpvverwp
- Chain 'B':
Sequence, based on SEQRES records: (download)
>4ixtB (B:)
mstaivtnvkhfggmgsalrlseaghtvachdesfkhqdeleafaetypqlipmseqepv
elieavtsalghvdilvsndiapvewrpidkyavedyrdmvealqikpfalanavasqmk
rrksghiifitsaasfgpwkelstyasaragasalanalskelgehnipvfaiapngvds
gdspyyypsepwktspehvawvrkytalqrlgtqkelgelvtflasgscdyltgqvfwla
ggfpvverwpgmpe
Sequence, based on observed residues (ATOM records): (download)
>4ixtB (B:)
staivtnvkhfggmgsalrlseaghtvachdesfkhqdeleafaetypqlipmseqepve
lieavtsalghvdilvsndiapvewrpidkyavedyrdmvealqikpfalanavasqmkr
rksghiifitsaasfgpwkelstyasaragasalanalskelgehnipvfaiapngvdsg
dspyyypsepwktspehvawvrkytalqrlgtqkelgelvtflasgscdyltgqvfwlag
gfpvv