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 5377

Title: Assignments of 1H, 13C and 15N resonances of human Ca2+-S100B in complex with the TRTK-12 peptide

Authors: McClintock, Kimberly; Shaw, Gary

Citation: McClintock, Kimberly; Shaw, Gary. "Letter to the Editor: Assignments of 1H, 13C and 15N resonances of human Ca2+-S100B in complex with the TRTK-12 peptide "  J. Biomol. NMR 23, 255-256 (2002).

Assembly members:
S100B, polymer, 91 residues, Formula weight is not available
TRTK-12, polymer, 14 residues, Formula weight is not available
CA, non-polymer, 40.078 Da.

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli

Entity Sequences (FASTA):
S100B: SELEKAMVALIDVFHQYSGR EGDKHKLKKSELKELINNEL SHFLEEIKEQEVVDKVMETL DNDGDGECDFQEFMAFVAMV TTACHEFFEHE
TRTK-12: XTRTKIDWNKILSX

Data sets:
Data typeCount
1H chemical shifts688
13C chemical shifts400
15N chemical shifts95

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1S100B subunit 11
2S100B subunit 21
3TRTK-12 molecule 12
4TRTK-12 molecule 22
5CALCIUM (II) ION 13
6CALCIUM (II) ION 23
7CALCIUM (II) ION 33
8CALCIUM (II) ION 43

Entities:

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

1   SERGLULEUGLULYSALAMETVALALALEU
2   ILEASPVALPHEHISGLNTYRSERGLYARG
3   GLUGLYASPLYSHISLYSLEULYSLYSSER
4   GLULEULYSGLULEUILEASNASNGLULEU
5   SERHISPHELEUGLUGLUILELYSGLUGLN
6   GLUVALVALASPLYSVALMETGLUTHRLEU
7   ASPASNASPGLYASPGLYGLUCYSASPPHE
8   GLNGLUPHEMETALAPHEVALALAMETVAL
9   THRTHRALACYSHISGLUPHEPHEGLUHIS
10   GLU

Entity 2, TRTK-12 molecule 1 14 residues - Formula weight is not available

1   ACETHRARGTHRLYSILEASPTRPASNLYS
2   ILELEUSERNH2

Entity 3, CALCIUM (II) ION 1 - Ca - 40.078 Da.

1   CA

Samples:

sample_1: S100B, [U-13C; U-15N], 1.0 mM; TRTK-12 1.2 mM; CALCIUM (II) ION 3 mM

sample_2: S100B, [U-2H; U-15N], 0.350 mM; TRTK-12 0.8 mM; CALCIUM (II) ION 1.0 mM

sample_3: S100B, [U-15N; U-13C], 1.0 mM; TRTK-12, [U-13C]-acetyl; [U-13C]-Ile, 1.2 mM; CALCIUM (II) ION 3 mM

experimental_conditions: pH: 7.05; temperature: 308 K

Experiments:

NameSampleSample stateSample conditions
CBCA(CO)NHnot availablenot availableexperimental_conditions
HNCACBnot availablenot availableexperimental_conditions
C(CO)NHnot availablenot availableexperimental_conditions
HC(CO)NHnot availablenot availableexperimental_conditions
1H-15N HSQCnot availablenot availableexperimental_conditions
1H-13N HSQCnot availablenot availableexperimental_conditions
1H-15N NOESYnot availablenot availableexperimental_conditions
1H-15N TOCSYnot availablenot availableexperimental_conditions
1H-13C NOESYnot availablenot availableexperimental_conditions
HCCH-TOCSYnot availablenot availableexperimental_conditions
HNHAnot availablenot availableexperimental_conditions
HNCOnot availablenot availableexperimental_conditions
1H-1H NOESYnot availablenot availableexperimental_conditions
1H-1H TOCSYnot availablenot availableexperimental_conditions

Software:

NMRPipe - data processing

Pipp - peak assignment

NMR spectrometers:

  • Varian UNITY 500 MHz
  • Varian INOVA 600 MHz
  • Varian INOVA 800 MHz

Related Database Links:

SWISS-PROT P04631 P50114 Q6YNR6 P04271
REF XP_001487942.1 XP_531586.1 XP_001160520.1 NP_006263.1 NP_001076199.1
PRF 2003367B
GenBank AAX43954.1 AAX43953.1 AAP36596.1 AAH01766.1 AAA60367.1
EMBL CAA25567.1 CAG46920.1
DBJ BAE88979.1 BAE36647.1 BAE22413.1 BAE22214.1
PDB
BMRB 5895 5544 4105 5206 4702