BMRB Entry 16796

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR16796

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Title:
Solution NMR structure of the Cdt1 binding domain(CBD) in complex with the MCM6 binding domain (MBD)
Deposition date:
2010-03-28
Original release date:
2011-05-19
Authors:
LIU, Changdong; WEI, Zhun; ZHU, Guang
Citation:

Citation: Wei, Zhun; Liu, Changdong; Wu, Xing; Xu, Naining; Zhou, Bo; Liang, Chun; Zhu, Guang. "Characterization and structure determination of the Cdt1 binding domain of human minichromosome maintenance (Mcm) 6."  J. Biol. Chem. 285, 12469-12473 (2010).
PubMed: 20202939

Assembly members:

Assembly members:
CBD, polymer, 114 residues, 13304.011 Da.
MBD, polymer, 30 residues, 3359.926 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: PET28a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
CBD: APKASLRLGFSEYSRISNLI VLHLRKVEEEEDESALKRSE LVNWYLKEIESEIDSEEELI NKKRIIEKVIHRLTHYDHVL IELTQAGLKGSTEGSESYEE DPYLVVNPNYLLED
MBD: SPSALKGVSQDLLERIRAKE AQKQLAQMTR

Data sets:
Data typeCount
13C chemical shifts364
15N chemical shifts126
1H chemical shifts774

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1CBD1
2MBD2

Entities:

Entity 1, CBD 114 residues - 13304.011 Da.

1   ALAPROLYSALASERLEUARGLEUGLYPHE
2   SERGLUTYRSERARGILESERASNLEUILE
3   VALLEUHISLEUARGLYSVALGLUGLUGLU
4   GLUASPGLUSERALALEULYSARGSERGLU
5   LEUVALASNTRPTYRLEULYSGLUILEGLU
6   SERGLUILEASPSERGLUGLUGLULEUILE
7   ASNLYSLYSARGILEILEGLULYSVALILE
8   HISARGLEUTHRHISTYRASPHISVALLEU
9   ILEGLULEUTHRGLNALAGLYLEULYSGLY
10   SERTHRGLUGLYSERGLUSERTYRGLUGLU
11   ASPPROTYRLEUVALVALASNPROASNTYR
12   LEULEUGLUASP

Entity 2, MBD 30 residues - 3359.926 Da.

1   SERPROSERALALEULYSGLYVALSERGLN
2   ASPLEULEUGLUARGILEARGALALYSGLU
3   ALAGLNLYSGLNLEUALAGLNMETTHRARG

Samples:

15N_sample: CBD, [U-100% 15N], 0.6 mM; MBD, [U-100% 15N], 1 mM

13C_sample: CBD, [U-100% 13C], 0.6 mM; MBD, [U-100% 13C], 1 mM

15N-13C_sample: CBD, [U-100% 13C; U-100% 15N], 0.6 mM; MBD, [U-100% 13C; U-100% 15N], 1 mM

15N-13C_sample_mixed_with_nonlabeled_sample: CBD, [U-100% 13C; U-100% 15N], 0.6 mM; MBD 1.0 mM

15N-13C_sample_mixed_with_nonlabeled_sample_2: CBD 1.0 mM; MBD, [U-100% 13C; U-100% 15N], 0.8 mM

sample_conditions_1: ionic strength: 0.5 M; pH: 6.5; pressure: 1 atm; temperature: 310 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQC15N_sampleisotropicsample_conditions_1
2D 1H-13C HSQC13C_sampleisotropicsample_conditions_1
3D HNCO15N-13C_sampleisotropicsample_conditions_1
3D HNCACB15N-13C_sampleisotropicsample_conditions_1
3D CBCA(CO)NH15N-13C_sampleisotropicsample_conditions_1
3D HBHA(CO)NH15N-13C_sampleisotropicsample_conditions_1
3D H(CCO)NH15N-13C_sampleisotropicsample_conditions_1
3D C(CO)NH15N-13C_sampleisotropicsample_conditions_1
3D HCCH-COSY13C_sampleisotropicsample_conditions_1
3D HCCH-TOCSY13C_sampleisotropicsample_conditions_1
3D 1H-15N NOESY15N_sampleisotropicsample_conditions_1
3D 1H-13C NOESY13C_sampleisotropicsample_conditions_1
13C-edited (F1 ), 13C/15N-filtered (F3)3D NOESY15N-13C_sample_mixed_with_nonlabeled_sampleisotropicsample_conditions_1

Software:

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

SPARKY v3.112, Goddard - chemical shift assignment

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution

CNS v1.1, Brunger, Adams, Clore, Gros, Nilges and Read - refinement, structure solution

ProcheckNMR, Laskowski and MacArthur - structure solution

WhatIF, Vriend - structure solution

HADDOCK v1.3, Alexandre Bonvin, Utrecht University - structure solution

NMR spectrometers:

  • Varian INOVA 500 MHz
  • Varian INOVA 750 MHz

Related Database Links:

BMRB 16396 17702 17702
PDB
DBJ BAA12699 BAE01174 BAG35469 BAG61268 BAB61878
GB AAB48165 AAC50766 AAH32374 AAI12449 AAO26043 AAG45181 AAH00137 AAH08676 AAH08860 AAH09410
REF NP_001039699 NP_001247544 NP_001270984 NP_005906 XP_001154732 NP_112190 XP_003280692 XP_004058184 XP_006926820 XP_008973138
SP Q14566 Q2KIZ8 Q9H211
AlphaFold Q14566 Q2KIZ8 Q9H211

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