BMRB Entry 25993

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR25993
MolProbity Validation Chart

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NMR-STAR v3 text file.
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Title:
The Solution Structure of Human gammaC-crystallin
Deposition date:
2016-03-12
Original release date:
2016-06-01
Authors:
Dixit, Karuna; Pande, Ajay; Pande, Jayanti; Sarma, Siddhartha
Citation:

Citation: Dixit, Karuna; Pande, Ajay; Pande, Jayanti; Sarma, Siddhartha. "NMR structure of a major lens protein, Human gamma C-Crystallin: Role of dipole moment in protein solubility"  Biochemistry 55, 3136-3149 (2016).
PubMed: 27187112

Assembly members:

Assembly members:
Molecule_1, polymer, 173 residues, 20751.4374 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: pET3a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Molecule_1: GKITFYEDRAFQGRSYETTT DCPNLQPYFSRCNSIRVESG CWMLYERPNYQGQQYLLRRG EYPDYQQWMGLSDSIRSCCL IPQTVSHRLRLYEREDHKGL MMELSEDCPSIQDRFHLSEI RSLHVLEGCWVLYELPNYRG RQYLLRPQEYRRCQDWGAMD AKAGSLRRVVDLY

Data typeCount
13C chemical shifts664
15N chemical shifts179
1H chemical shifts1001
coupling constants123

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Molecule 11

Entities:

Entity 1, Molecule 1 173 residues - 20751.4374 Da.

1   GLYLYSILETHRPHETYRGLUASPARGALA
2   PHEGLNGLYARGSERTYRGLUTHRTHRTHR
3   ASPCYSPROASNLEUGLNPROTYRPHESER
4   ARGCYSASNSERILEARGVALGLUSERGLY
5   CYSTRPMETLEUTYRGLUARGPROASNTYR
6   GLNGLYGLNGLNTYRLEULEUARGARGGLY
7   GLUTYRPROASPTYRGLNGLNTRPMETGLY
8   LEUSERASPSERILEARGSERCYSCYSLEU
9   ILEPROGLNTHRVALSERHISARGLEUARG
10   LEUTYRGLUARGGLUASPHISLYSGLYLEU
11   METMETGLULEUSERGLUASPCYSPROSER
12   ILEGLNASPARGPHEHISLEUSERGLUILE
13   ARGSERLEUHISVALLEUGLUGLYCYSTRP
14   VALLEUTYRGLULEUPROASNTYRARGGLY
15   ARGGLNTYRLEULEUARGPROGLNGLUTYR
16   ARGARGCYSGLNASPTRPGLYALAMETASP
17   ALALYSALAGLYSERLEUARGARGVALVAL
18   ASPLEUTYR

Samples:

sample_1: Molecule 1, [U-99% 13C; U-99% 15N], 0.5 mM; potassium phosphate 20 mM; DTT 5 mM; sodium chloride 20 mM; H2O 90%; D2O, [U-2H], 10%

sample_2: Molecule 1, [U-15N], 0.5 mM; potassium phosphate 20 mM; DTT 5 mM; sodium chloride 20 mM; H2O 90%; D2O, [U-2H], 10%

sample_3: Molecule 1, [U-99% 13C; U-99% 15N], 0.5 mM; potassium phosphate 20 mM; DTT 5 mM; sodium chloride 20 mM; D2O, [U-2H], 100%

sample_condition: ionic strength: 0.02 M; pH: 7; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQC/HMQCsample_1isotropicsample_condition
Expt_10 (H{[N]+[HA]})sample_2isotropicsample_condition
3D HNHBsample_1isotropicsample_condition
3D HNCOsample_1isotropicsample_condition
3D HNCACBsample_1isotropicsample_condition
Expt_16 (H[N[co[{CA|ca[C]}]]])sample_1isotropicsample_condition
Expt_21 (C_coNH.relayed)sample_1isotropicsample_condition
Expt_22 (C_coNH.relayed)sample_1isotropicsample_condition
3D H(CCO)NHsample_1isotropicsample_condition

Software:

CcpNmr_Analysis v2.1, CCPN - chemical shift assignment

nmrDraw vany, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - Spectrum analysis, Spectrum display

nmrPipe vany, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - Spectrum processing

nmrView vany, Guntert, Mumenthaler and Wuthrich, Johnson, One Moon Scientific - Spectrum analysis, Spectrum display, structure solution

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

NMR spectrometers:

  • Agilent DDS2 600 MHz
  • Bruker Avance 700 MHz

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