BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

BMRB Entry 18514

Click here to enlarge.

PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18514
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
NMR-STAR v2.1 text file (deprecated)
XML gzip file.
RDF gzip file.
All files associated with the entry

Title: Solution structure of CXC domain of MSL2   PubMed: 23029009

Deposition date: 2012-06-09 Original release date: 2012-10-15

Authors: Feng, Yingang; Ye, Keqiong; Zheng, Shanduo; Wang, Jia; Wang, Jinfeng

Citation: Zheng, Shanduo; Wang, Jia; Feng, Yingang; Wang, Jinfeng; Ye, Keqiong. "Solution Structure of MSL2 CXC Domain Reveals an Unusual Zn(3)Cys(9) Cluster and Similarity to Pre-SET Domains of Histone Lysine Methyltransferases"  PLoS One 7, e45437-e45437 (2012).

Assembly members:
entity_1, polymer, 52 residues, 5652.509 Da.
ZINC ION, non-polymer, 65.409 Da.

Natural source:   Common Name: Fruit fly   Taxonomy ID: 7227   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Drosophila melanogaster

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

Entity Sequences (FASTA):
entity_1: SPPKPKCRCGISGSSNTLTT CRNSRCPCYKSYNSCAGCHC VGCKNPHKEDYV

Data sets:
Data typeCount
13C chemical shifts207
15N chemical shifts50
1H chemical shifts315

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1MSL21
2ZINC ION_12
3ZINC ION_22
4ZINC ION_32

Entities:

Entity 1, MSL2 52 residues - 5652.509 Da.

1   SERPROPROLYSPROLYSCYSARGCYSGLY
2   ILESERGLYSERSERASNTHRLEUTHRTHR
3   CYSARGASNSERARGCYSPROCYSTYRLYS
4   SERTYRASNSERCYSALAGLYCYSHISCYS
5   VALGLYCYSLYSASNPROHISLYSGLUASP
6   TYRVAL

Entity 2, ZINC ION_1 - Zn - 65.409 Da.

1   ZN

Samples:

sample_1: MSL2, [U-13C; U-15N], 0.5 – 1.5 mM; potassium phosphate 50 mM; DSS 0.01%; D2O, [U-2H], 10%; H2O, [U-2H], 90%

sample_2: MSL2 1 mM; ZINC ION, Cd113, 3 mM; potassium phosphate 50 mM; DSS 0.01%; D2O, [U-2H], 10%; H2O, [U-2H], 90%

sample_conditions_1: ionic strength: 0.05 M; pH: 6; 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 HNCACBsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N TOCSYsample_1isotropicsample_conditions_1
3D CCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
1D Cd113sample_2isotropicsample_conditions_1
2D 1H-113Cd HSQCsample_2isotropicsample_conditions_1
2D 1H-113Cd HMQC-TOCSYsample_2isotropicsample_conditions_1

Software:

xwinnmr, Bruker Biospin - collection

FELIX, Accelrys Software Inc. - processing

NMRView, Johnson, One Moon Scientific - data analysis

TALOS, Cornilescu, Delaglio and Bax - data analysis

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution

NMR spectrometers:

  • Bruker DMX 600 MHz
  • Bruker Avance 400 MHz

Related Database Links:

PDB
EMBL CAA61529 CAA88358
GB AAA75573 AAF51104 AAM75019 AAN10368 ABU96715
REF NP_523467 NP_722907 XP_001968565 XP_002045315 XP_002077563
SP P50534

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