BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 5838

Title: Structural Model for Calcium Dependent Activation of Ndr Kinase by S100B   PubMed: 14661952

Deposition date: 2003-06-21 Original release date: 2003-12-19

Authors: Bhattacharya, Shibani; Large, Edward; Heizmann, Claus; Hemmings, Brian; Chazin, Walter

Citation: Bhattacharya, Shibani; Large, Edward; Heizmann, Claus; Hemmings, Brian; Chazin, Walter. "Structure of the Ca(2+)/S100B/NDR Kinase Peptide Complex: Insights into S100 Target Specificity and Activation of the Kinase"  Biochemistry 42, 14416-14426 (2003).

Assembly members:
subunit of homodimer, polymer, 91 residues, Formula weight is not available
peptide, polymer, 26 residues, Formula weight is not available

Natural source:   Common Name: Cow   Taxonomy ID: 9913   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Bos taurus

Experimental source:   Production method: recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli 'BL21 Codon Plus (DE3) RIL' . . . . . . . . . . . . . . . 'pH6 TEV

Entity Sequences (FASTA):
subunit of homodimer: SELEKAVVALIDVFHQYSGR EGDKHKLKKSELKELINNEL SHFLEEIKEQEVVDKVMETL DSDGDGECDFQEFMAFVAMI TTACHEFFEHE
peptide: KRLRRSAHARKETEFLRLKR TRLGLE

Data sets:
Data typeCount
1H chemical shifts774
13C chemical shifts380
15N chemical shifts92

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1S100B Subunit 11
2S100B Subunit 21
3NDR kinase peptide 12
4NDR kinase peptide 22

Entities:

Entity 1, S100B Subunit 1 91 residues - Formula weight is not available

1   SERGLULEUGLULYSALAVALVALALALEU
2   ILEASPVALPHEHISGLNTYRSERGLYARG
3   GLUGLYASPLYSHISLYSLEULYSLYSSER
4   GLULEULYSGLULEUILEASNASNGLULEU
5   SERHISPHELEUGLUGLUILELYSGLUGLN
6   GLUVALVALASPLYSVALMETGLUTHRLEU
7   ASPSERASPGLYASPGLYGLUCYSASPPHE
8   GLNGLUPHEMETALAPHEVALALAMETILE
9   THRTHRALACYSHISGLUPHEPHEGLUHIS
10   GLU

Entity 2, NDR kinase peptide 1 26 residues - Formula weight is not available

1   LYSARGLEUARGARGSERALAHISALAARG
2   LYSGLUTHRGLUPHELEUARGLEULYSARG
3   THRARGLEUGLYLEUGLU

Samples:

Sample_1: subunit of homodimer' '[U-15N; U-13C]; .; .; .; .; .; .; .

Set_1: pH: 7.5; temperature: 310 K; ionic strength: 0.045 M

Experiments:

NameSampleSample stateSample conditions
CBCA(CO)NHnot availablenot availablenot available
HNCAnot availablenot availablenot available
HN(CO)CAnot availablenot availablenot available
HNCOnot availablenot availablenot available
HCCH-TOCSYnot availablenot availablenot available
HCCH-COSYnot availablenot availablenot available
2D 15N/13C F1/F2-Filtered COSYnot availablenot availablenot available
2D 15N/13C F1/F2-Filtered TOCSYnot availablenot availablenot available
2D 15N/13C F1/F2-Filtered NOESYnot availablenot availablenot available

Software:

FELIX v2000 - Processing, Data-Analysis

NMR spectrometers:

  • Bruker Avance 600 MHz
  • Bruker Avance 800 MHz

Related Database Links:

PDB
DBJ BAC29170 BAC37841 BAG10255 BAG35456 BAG35456 BAC37841 BAG10255 BAC29170
EMBL CAA84485 CAH91889 CAH92600 CAH92600 CAQ51741 CAB39180 CAH91889 CAA84485
GB AAD50530 AAH09658 AAH12085 AAH95413 AAI33418
REF NP_001075071 NP_001126095 NP_001247519 NP_009202 NP_598876 XP_001116801 XP_001116805 NP_009202 NP_598876 NP_001075071
SP A2VDV2 Q15208 Q5R8M1 Q91VJ4
TPG DAA16631
SWISS-PROT Q5R8M1 Q91VJ4 A2VDV2 Q15208
GenBank AAI33418 AAH12085 AAH95413 AAD50530 AAH09658

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts