BMRB Entry 18805

Title:
Solution NMR Structure of Homeobox Domain of Human ALX4, Northeast Structural Genomics Consortium (NESG) Target HR4490C
Deposition date:
2012-10-24
Original release date:
2012-11-21
Authors:
Xu, Xianzhong; Eletsky, Alexander; Pulavarti, S.V.S.R.K.; Lee, Dan; Janjua, Haleema; Xiao, Rong; Acton, Thomas; Everett, John; Montelione, Gaetano; Szyperski, Thomas
Citation:

Citation: Xu, Xianzhong; Eletsky, Alexander; Pulavarti, S.V.S.R.K.; Lee, Dan; Janjua, Haleema; Xiao, Rong; Acton, Thomas; Everett, John; Montelione, Gaetano; Szyperski, Thomas. "Solution NMR Structure of Homeobox Domain of Human ALX4, Northeast Structural Genomics Consortium (NESG) Target HR4490C"  To be published ., .-..

Assembly members:

Assembly members:
HR4490C, polymer, 75 residues, 9356.744 Da.

Natural source:

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET15Nano6HT_NESG

Experimental source:

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET15Nano6HT_NESG

Entity Sequences (FASTA):

Data sets:
Data typeCount
13C chemical shifts259
15N chemical shifts60
1H chemical shifts417

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1HR4490C1

Entities:

Entity 1, HR4490C 75 residues - 9356.744 Da.

Residues 4-75 correspond to residues 209-280 of the native protein. Residues 1-3 represent the remainder of the purification tag.

1   SERHISMETSERASNLYSGLYLYSLYSARG
2   ARGASNARGTHRTHRPHETHRSERTYRGLN
3   LEUGLUGLULEUGLULYSVALPHEGLNLYS
4   THRHISTYRPROASPVALTYRALAARGGLU
5   GLNLEUALAMETARGTHRASPLEUTHRGLU
6   ALAARGVALGLNVALTRPPHEGLNASNARG
7   ARGALALYSTRPARGLYSARGGLUARGPHE
8   GLYGLNMETGLNGLN

Samples:

HR4490C.003: HR4490C, [U-100% 13C; U-100% 15N], 0.871 mM; sodium chloride 100 mM; DTT 5 mM; sodium azide 0.02%; Tris-HCl 10 mM; DSS 50 uM; H2O 90%; D2O 10%

HR4490C.002: HR4490C, [5% 13C; U-100% 15N], 0.6 mM; sodium chloride 100 mM; DTT 5 mM; sodium azide 0.02%; Tris-HCl 10 mM; DSS 50 uM; H2O 90%; D2O 10%

sample_conditions_1: pH: 7.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCHR4490C.003isotropicsample_conditions_1
2D 1H-13C HSQC aliHR4490C.003isotropicsample_conditions_1
3D HNCOHR4490C.003isotropicsample_conditions_1
(4,3)D GFT CABCA(CO)NHHR4490C.003isotropicsample_conditions_1
2D 1H-13C HSQC aroHR4490C.003isotropicsample_conditions_1
(4,3)D GFT HNCABCAHR4490C.003isotropicsample_conditions_1
3D simultaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESYHR4490C.003isotropicsample_conditions_1
3D HN(CA)COHR4490C.003isotropicsample_conditions_1
3D HBHA(CO)NHHR4490C.003isotropicsample_conditions_1
3D (H)CCH-TOCSY aliHR4490C.003isotropicsample_conditions_1
(4,3)D GFT HCCH-COSY aliHR4490C.003isotropicsample_conditions_1
(4,3)D GFT HCCH-COSY aroHR4490C.003isotropicsample_conditions_1
2D 15N HSQC HisHR4490C.003isotropicsample_conditions_1
2D 13C CT-HSQCHR4490C.002isotropicsample_conditions_1

Software:

CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - refinement,structure solution,geometry optimization

CYANA v3.0, Guntert, Mumenthaler and Wuthrich - refinement,geometry optimization,structure solution

AS-DP v1.0, Huang, Tejero, Powers and Montelione - data analysis,refinement

AutoAssign v2.3.1, Zimmerman, Moseley, Kulikowski and Montelione - data analysis,chemical shift assignment

CARA v1.8.4, Keller and Wuthrich - chemical shift assignment, data analysis, peak picking

VNMRJ v2.2D, Varian - collection

TALOS+, Shen, Cornilescu, Delaglio and Bax - geometry optimization

PSVS v1.4, Bhattacharya, Montelione - structure validation

PROSA, Guntert - data analysis

CSI, Wishart and Sykes - data analysis

NMR spectrometers:

  • Varian INOVA 600 MHz
  • Varian INOVA 750 MHz

Related Database Links:

UNP Q9H161
PDB
DBJ BAB47417 BAG11360
EMBL CAC15060 CAC15120 CAF99670 CAG08730 CAJ14976
GB AAC39943 AAC61772 AAG23961 AAI35030 AAI66622
REF NP_001025475 NP_001100023 NP_031468 NP_068745 NP_989493
SP O35137 Q4LAL6 Q9H161
TPG DAA21782
AlphaFold O35137

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