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Biological Magnetic Resonance Data Bank


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BMRB Entry 15981

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR15981
MolProbity Validation Chart

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Title: Solution NMR Structure of Cgi121 from Methanococcus jannaschii. Northeast Structural Genomics Consortium Target MJ0187   PubMed: 18951093

Deposition date: 2008-10-07 Original release date: 2009-02-09

Authors: Rumpel, Sigrun; Fares, Christophe; Neculai, Dante; Arrowsmith, Cheryl; Sicheri, Frank

Citation: Mao, Daniel; Neculai, Dante; Downey, Michael; Orlicky, Stephen; Haffani, Yosr; Ceccarelli, Derek; Ho, Jenny; Szilard, Rachel; Zhang, Wei; Ho, Cynthia; Wan, Leo; Fares, Christophe; Rumpel, Sigrun; Kurinov, Igor; Durocher, Daniel; Sicheri, Frank. "Atomic structure of the KEOPS complex: an ancient protein kinase-containing molecular machine"  Mol. Cell 32, 259-275 (2008).

Assembly members:
Cgi121, polymer, 150 residues, 17092.215 Da.

Natural source:   Common Name: Methanococcus jannaschii   Taxonomy ID: 243232   Superkingdom: Archaea   Kingdom: Euryarchaeota   Genus/species: Methanococcus jannaschii

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

Entity Sequences (FASTA):
Cgi121: GAMDPMIIRGIRGARINNEI FNLGLKFQILNADVVATKKH VLHAINQAKTKKPIAKSFWM EILVRASGQRQIHEAIKIIG AKDGNVCLICEDEETFRKIY ELIGGEIDDSVLEINEDKER LIREIFKIRGFGNVVERVLE KIALIELKKE

Data sets:
Data typeCount
13C chemical shifts700
15N chemical shifts154
1H chemical shifts1116

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1Cgi1211

Entities:

Entity 1, Cgi121 150 residues - 17092.215 Da.

1   GLYALAMETASPPROMETILEILEARGGLY
2   ILEARGGLYALAARGILEASNASNGLUILE
3   PHEASNLEUGLYLEULYSPHEGLNILELEU
4   ASNALAASPVALVALALATHRLYSLYSHIS
5   VALLEUHISALAILEASNGLNALALYSTHR
6   LYSLYSPROILEALALYSSERPHETRPMET
7   GLUILELEUVALARGALASERGLYGLNARG
8   GLNILEHISGLUALAILELYSILEILEGLY
9   ALALYSASPGLYASNVALCYSLEUILECYS
10   GLUASPGLUGLUTHRPHEARGLYSILETYR
11   GLULEUILEGLYGLYGLUILEASPASPSER
12   VALLEUGLUILEASNGLUASPLYSGLUARG
13   LEUILEARGGLUILEPHELYSILEARGGLY
14   PHEGLYASNVALVALGLUARGVALLEUGLU
15   LYSILEALALEUILEGLULEULYSLYSGLU

Samples:

sample_1: entity, [U-100% 13C; U-100% 15N], 1 mM

sample_conditions_1: ionic strength: 0.1 M; pH: 6.3; pressure: 1 atm; temperature: 298 K

sample_conditions_2: ionic strength: 0.1 M; pH: 6.3; 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 HNCOsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
2D IPAP HSQCsample_1isotropicsample_conditions_1
3D IPAP HNCOsample_1anisotropicsample_conditions_2

Software:

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

NMR spectrometers:

  • Bruker Avance 600 MHz
  • Bruker Avance 800 MHz

Related Database Links:

PDB
GB AAB98167
SP Q57646

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