BMRB Entry 17329

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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/BMR17329
MolProbity Validation Chart

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Title:
The Solution Structure of Calcium Bound CIB1
Deposition date:
2010-11-30
Original release date:
2011-03-30
Authors:
Huang, Hao; Vogel, Hans; Ishida, Hiroaki; Yamniuk, Aaron
Citation:

Citation: Huang, Hao; Ishida, Hiroaki; Yamniuk, Aaron; Vogel, Hans. "Solution Structures of Ca2+-CIB1 and Mg2+-CIB1 and Their Interactions with the Platelet Integrin {alpha}IIb Cytoplasmic Domain."  J. Biol. Chem. 286, 17181-17192 (2011).
PubMed: 21388953

Assembly members:

Assembly members:
CIB1, polymer, 214 residues, 21093.814 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: pET19b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
CIB1: MGHHHHHHHHHHSSGHIDDD DKHMGGSGSRLSKELLAEYQ DLTFLTKQEILLAHRRFCEL LPQEQRSVESSLRAQVPFEQ ILSLPELKANPFKERICRVF STSPAKDSLSFEDFLDLLSV FSDTATPDIKSHYAFRIFDF DDDGTLNREDLSRLVNCLTG EGEDTRLSASEMKQLIDNIL EESDIDRDGTINLSEFQHVI SRSPDFASSFKIVL

Data sets:
Data typeCount
13C chemical shifts603
15N chemical shifts162
1H chemical shifts390

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11
2CALCIUM ION 12
3CALCIUM ION 22

Entities:

Entity 1, entity_1 214 residues - 21093.814 Da.

1   METGLYHISHISHISHISHISHISHISHIS
2   HISHISSERSERGLYHISILEASPASPASP
3   ASPLYSHISMETGLYGLYSERGLYSERARG
4   LEUSERLYSGLULEULEUALAGLUTYRGLN
5   ASPLEUTHRPHELEUTHRLYSGLNGLUILE
6   LEULEUALAHISARGARGPHECYSGLULEU
7   LEUPROGLNGLUGLNARGSERVALGLUSER
8   SERLEUARGALAGLNVALPROPHEGLUGLN
9   ILELEUSERLEUPROGLULEULYSALAASN
10   PROPHELYSGLUARGILECYSARGVALPHE
11   SERTHRSERPROALALYSASPSERLEUSER
12   PHEGLUASPPHELEUASPLEULEUSERVAL
13   PHESERASPTHRALATHRPROASPILELYS
14   SERHISTYRALAPHEARGILEPHEASPPHE
15   ASPASPASPGLYTHRLEUASNARGGLUASP
16   LEUSERARGLEUVALASNCYSLEUTHRGLY
17   GLUGLYGLUASPTHRARGLEUSERALASER
18   GLUMETLYSGLNLEUILEASPASNILELEU
19   GLUGLUSERASPILEASPARGASPGLYTHR
20   ILEASNLEUSERGLUPHEGLNHISVALILE
21   SERARGSERPROASPPHEALASERSERPHE
22   LYSILEVALLEU

Entity 2, CALCIUM ION 1 - Ca - 40.078 Da.

1   CA

Samples:

CIB1_for_backbone_RDC: CIB1, [U-13C; U-15N; U-2H], 0.5 mM; HEPES 50 mM; potassium chloride 100 mM; calcium cloride 4 mM; DTT 10 mM; Pf1 phage 12 mg/mL; H2O 90%; D2O 10%

CIB1_with_I_L_V_methyl_labeled: CIB1, I/L/V methyl 13C and 1H, [U,2H], 0.5 mM; HEPES 50 mM; potassium chloride 100 mM; calcium chloride 4 mM; DTT 10 mM; H2O 90%; D2O 10%

CIB1_for_backbone_assignment: CIB1, [U-13C; U-15N; U-2H], 0.5 mM; HEPES 50 mM; potassium chloride 100 mM; calcium cloride 4 mM; DTT 10 mM; H2O 90%; D2O 10%

CIB1_for_methyl_assignment: CIB1, [U-13C; U-2H]-I/L/V methyl, 0.5 mM; HEPES 50 mM; potassium chloride 100 mM; calcium cloride 4 mM; DTT 10 mM; D2O 100%

sample_conditions_1: ionic strength: 200 mM; pH: 7.5; pressure: 1 atm; temperature: 310 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQC IPAPCIB1_for_backbone_RDCanisotropicsample_conditions_1
3D HNCO type for CaCO and C'N RDCCIB1_for_backbone_RDCanisotropicsample_conditions_1
3D 1H-15N NOESYCIB1_with_I_L_V_methyl_labeledisotropicsample_conditions_1
3D 1H-13C NOESYCIB1_with_I_L_V_methyl_labeledisotropicsample_conditions_1
3D HNCOCIB1_for_backbone_assignmentisotropicsample_conditions_1
3D HN(CA)COCIB1_for_backbone_assignmentisotropicsample_conditions_1
3D HNCACBCIB1_for_backbone_assignmentisotropicsample_conditions_1
3D CBCA(CO)NHCIB1_for_backbone_assignmentisotropicsample_conditions_1
3D HCCH-TOCSYCIB1_for_methyl_assignmentisotropicsample_conditions_1

Software:

X-PLOR NIH v2.18, Schwieters, Kuszewski, Tjandra and Clore - structure solution

NMR spectrometers:

  • Bruker Avance 700 MHz

Related Database Links:

BMRB 17328 18099
PDB
DBJ BAA36281 BAG70090 BAG70220 BAG72967
EMBL CAG33236
GB AAB39758 AAB53387 AAC51106 AAH00846 ABM82122
REF NP_006375 XP_001096008 XP_003268547 XP_003807774 XP_003901434
SP Q99828
AlphaFold Q99828

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks