BMRB Entry 16482

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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/BMR16482
MolProbity Validation Chart

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Title:
Solution Structure of complement repeat CR17 from LRP-1
Deposition date:
2009-09-07
Original release date:
2010-02-03
Authors:
Guttman, Miklos; Komives, Elizabeth
Citation:

Citation: Guttman, Miklos; Prieto, J. Helena; Croy, Johnny; Komives, Elizabeth. "Decoding of lipoprotein-receptor interactions: properties of ligand binding modules governing interactions with apolipoprotein E."  Biochemistry 49, 1207-1216 (2010).
PubMed: 20030366

Assembly members:

Assembly members:
CR17, polymer, 50 residues, 5102.559 Da.
CA, non-polymer, 40.078 Da.

Natural source:

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

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
CR17: GSEGKTCGPSSFSCPGTHVC VPERWLCDGDKDCADGADES IAAGCLYNST

Data sets:
Data typeCount
13C chemical shifts169
15N chemical shifts40
1H chemical shifts275
heteronuclear NOE values28
T1 relaxation values28
T2 relaxation values28

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1CR171
2CALCIUM ION2

Entities:

Entity 1, CR17 50 residues - 5102.559 Da.

Extra GS at N terminus, so residue 3 is 2751 of LRP1

1   GLYSERGLUGLYLYSTHRCYSGLYPROSER
2   SERPHESERCYSPROGLYTHRHISVALCYS
3   VALPROGLUARGTRPLEUCYSASPGLYASP
4   LYSASPCYSALAASPGLYALAASPGLUSER
5   ILEALAALAGLYCYSLEUTYRASNSERTHR

Entity 2, CALCIUM ION - Ca - 40.078 Da.

1   CA

Samples:

sample_1: sodium chloride 150 mM; HEPES, [U-99% 2H], 20 mM; entity_1, [U-99% 13C; U-99% 15N], 0.7 mM; CALCIUM ION 5 mM; sodium azide 3 mM; H2O 90%; D2O 10%

sample_2: sodium chloride 150 mM; HEPES, [U-99% 2H], 20 mM; entity_1, [U-99% 15N], 0.6 mM; CALCIUM ION 5 mM; sodium azide 3 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.15 M; pH: 7.45; pressure: 1 atm; temperature: 307 K

sample_conditions_2: ionic strength: 0.15 M; pH: 7.45; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1

Software:

ARIA v2.2, Linge, O'Donoghue and Nilges - chemical shift assignment, refinement

CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - refinement, structure solution

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

AZARA v2.7, Boucher - processing

SPARKY v3.113, Goddard - chemical shift assignment, data analysis, peak picking

NMR spectrometers:

  • Bruker Avance 600 MHz

Related Database Links:

BMRB 16483 16509
PDB

Download HSQC peak lists in one of the following formats:
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