BMRB Entry 18044

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PDB ID: 2lle
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR18044
MolProbity Validation Chart

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Title:
Computational design of an eight-stranded (beta/alpha)-barrel from fragments of different folds
Deposition date:
2011-11-07
Original release date:
2012-03-19
Authors:
Coles, Murray; Truffault, Vincent; Eisenbeis, Simone; Proffitt, William; Meiler, Jens; Hocker, Birte
Citation:

Citation: Eisenbeis, Simone; Proffitt, William; Coles, Murray; Truffault, Vincent; Shanmugarantam, Sooruban; Meiler, Jens; Hocker, Birte. "Potential of fragment recombination for rational design of proteins"  J. Am. Chem. Soc. 134, 4019-4022 (2012).
PubMed: 22329686

Assembly members:

Assembly members:
CheYHisF-sfr_RM, polymer, 234 residues, 25607.779 Da.

Natural source:

Natural source:   Common Name: not available   Taxonomy ID: not available   Superkingdom: not available   Kingdom: not available   Genus/species: not available not available

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET 21a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
CheYHisF-sfr_RM: MGKIVLIVDDATNGREAVEK YKELKPDIVTMDITMPEMNG IDAIKEIMKIDPNAKIIVCS AMGQQAMVIEAIKAGAKGFI VNTAAVENPSLITQLAQTFG SQAVVVAIDAKRVDGEFMVF TYSGKKNTGILLRDWVVEVE KRGAGEILLTSIDRDGTKSG YDTEMIRFVRPLTTLPIIAS GGAGKMEHFLEAFLAGADAA AAASVFHFREIDGRELKEYL KKHGVNLEHHHHHH

Data sets:
Data typeCount
13C chemical shifts904
15N chemical shifts217
1H chemical shifts1578

Additional metadata:

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Assembly:

Entity Assembly IDEntity NameEntity ID
1CheYHisF-sfr_RM1

Entities:

Entity 1, CheYHisF-sfr_RM 234 residues - 25607.779 Da.

The protein is an engineered chimera between CheY (1-11 and 34-103 from 1TMY) and HisF (103-247 from 1THF) from Thermotoga maritima with five point mutations (R4I, D78G, I95L, L201A, V213G). The last 7 residues represent a purification tag.

1   METGLYLYSILEVALLEUILEVALASPASP
2   ALATHRASNGLYARGGLUALAVALGLULYS
3   TYRLYSGLULEULYSPROASPILEVALTHR
4   METASPILETHRMETPROGLUMETASNGLY
5   ILEASPALAILELYSGLUILEMETLYSILE
6   ASPPROASNALALYSILEILEVALCYSSER
7   ALAMETGLYGLNGLNALAMETVALILEGLU
8   ALAILELYSALAGLYALALYSGLYPHEILE
9   VALASNTHRALAALAVALGLUASNPROSER
10   LEUILETHRGLNLEUALAGLNTHRPHEGLY
11   SERGLNALAVALVALVALALAILEASPALA
12   LYSARGVALASPGLYGLUPHEMETVALPHE
13   THRTYRSERGLYLYSLYSASNTHRGLYILE
14   LEULEUARGASPTRPVALVALGLUVALGLU
15   LYSARGGLYALAGLYGLUILELEULEUTHR
16   SERILEASPARGASPGLYTHRLYSSERGLY
17   TYRASPTHRGLUMETILEARGPHEVALARG
18   PROLEUTHRTHRLEUPROILEILEALASER
19   GLYGLYALAGLYLYSMETGLUHISPHELEU
20   GLUALAPHELEUALAGLYALAASPALAALA
21   ALAALAALASERVALPHEHISPHEARGGLU
22   ILEASPGLYARGGLULEULYSGLUTYRLEU
23   LYSLYSHISGLYVALASNLEUGLUHISHIS
24   HISHISHISHIS

Related Database Links:

PDB 2LLE

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