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Biological Magnetic Resonance Data Bank


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BMRB Entry 18557

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR18557
MolProbity Validation Chart

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Title: Solution structure of Ca2+-bound CaBP7 N-terminal doman   PubMed: 22989873

Deposition date: 2012-06-29 Original release date: 2012-09-25

Authors: McCue, Hannah; Patel, Pryank; Herbert, Andrew; Lian, Lu-Yun; Burgoyne, Robert; Haynes, Lee

Citation: McCue, Hannah; Patel, Pryank; Herbert, Andrew; Lian, Lu-Yun; Burgoyne, Robert; Haynes, Lee. "Solution NMR structure of the Ca2+-bound N-terminal domain of CaBP7: a regulator of golgi trafficking."  J. Biol. Chem. 287, 38231-38243 (2012).

Assembly members:
CaBP7_N-terminal_Domain, polymer, 100 residues, 11400.962 Da.
CALCIUM ION, non-polymer, 40.078 Da.

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

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

Entity Sequences (FASTA):
CaBP7_N-terminal_Domain: MPFHPVTAALMYRGIYTVPN LLSEQRPVDIPEDELEEIRE AFKVFDRDGNGFISKQELGT AMRSLGYMPNEVELEVIIQR LDMDGDGQVDFEEFVTLLGP

Data sets:
Data typeCount
13C chemical shifts377
15N chemical shifts88
1H chemical shifts590

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1CaBP7 N-terminal doman1
2Calcium ion 12
3Calcium ion 22

Entities:

Entity 1, CaBP7 N-terminal doman 100 residues - 11400.962 Da.

1   METPROPHEHISPROVALTHRALAALALEU
2   METTYRARGGLYILETYRTHRVALPROASN
3   LEULEUSERGLUGLNARGPROVALASPILE
4   PROGLUASPGLULEUGLUGLUILEARGGLU
5   ALAPHELYSVALPHEASPARGASPGLYASN
6   GLYPHEILESERLYSGLNGLULEUGLYTHR
7   ALAMETARGSERLEUGLYTYRMETPROASN
8   GLUVALGLULEUGLUVALILEILEGLNARG
9   LEUASPMETASPGLYASPGLYGLNVALASP
10   PHEGLUGLUPHEVALTHRLEULEUGLYPRO

Entity 2, Calcium ion 1 - Ca - 40.078 Da.

1   CA

Samples:

13C-15N_CaBP7: CaBP7 N-terminal Domain, [U-13C; U-15N], 0.2 – 1.0 mM; H2O 90%; D2O, [U-2H], 10%

15N_CaBP7: CaBP7 N-terminal Domain, [U-15N], 0.2 – 1.0 mM; H2O 90%; D2O, [U-2H], 10%

15N_CaBP7_D2O: CaBP7 N-terminal Domain, [U-15N], 0.4 mM; D2O, [U-2H], 100%

15N_CaBP7_Pf1: CaBP7 N-terminal Domain, [U-15N], 0.4 mM; Pf1 phage 20 mg/mL; H2O 90%; D2O, [U-2H], 10%

sample_condition_1: ionic strength: 50 mM; pH: 6.5; pressure: 1 atm; temperature: 303 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQC15N_CaBP7isotropicsample_condition_1
2D 1H-13C HSQC13C-15N_CaBP7isotropicsample_condition_1
3D CBCA(CO)NH13C-15N_CaBP7isotropicsample_condition_1
3D HNCO13C-15N_CaBP7isotropicsample_condition_1
3D HNCA13C-15N_CaBP7isotropicsample_condition_1
3D HNCACB13C-15N_CaBP7isotropicsample_condition_1
3D HBHA(CO)NH13C-15N_CaBP7isotropicsample_condition_1
3D HN(CO)CA13C-15N_CaBP7isotropicsample_condition_1
3D HCCH-TOCSY13C-15N_CaBP7isotropicsample_condition_1
3D 1H-15N NOESY13C-15N_CaBP7isotropicsample_condition_1
3D 1H-13C NOESY13C-15N_CaBP7isotropicsample_condition_1
3D 1H-13C NOESY aromatic13C-15N_CaBP7isotropicsample_condition_1
2D 1H-13C HSQC aromatic13C-15N_CaBP7isotropicsample_condition_1
3D HN(COCA)CB13C-15N_CaBP7isotropicsample_condition_1
2D 1H-15N HSQC15N_CaBP7_D2Oisotropicsample_condition_1
2D 1H-15N HSQC15N_CaBP7_Pf1anisotropicsample_condition_1

Software:

CCPN_Analysis, CCPN - chemical shift assignment, data analysis, peak picking

CYANA, Guntert, Mumenthaler and Wuthrich - chemical shift assignment

ARIA, Linge, O, . - refinement, structure solution

NMR spectrometers:

  • Bruker Avance 600 MHz
  • Bruker Avance 800 MHz

Related Database Links:

PDB
EMBL CAG08146 CDQ61254 CDQ73336
GB AAH51805 AAH81959 AAI04357 AAI04358 AAL14997
REF NP_001007731 NP_620398 NP_872333 XP_001234278 XP_002707748
SP Q66H96 Q866X0 Q86V35 Q91ZM8

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