BMRB Entry 18805

Name: Solution NMR Structure of Homeobox Domain of Human ALX4, Northeast Structural Genomics Consortium (NESG) Target HR4490C
Published: 2012-11-21

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PDB ID: 2m0c
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18805
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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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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:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
HR4490C: SHMSNKGKKRRNRTTFTSYQ LEELEKVFQKTHYPDVYARE QLAMRTDLTEARVQVWFQNR RAKWRKRERFGQMQQ

Data sets:

assigned_chemical_shifts
- HR4490C.str

Data type	Count
13C chemical shifts	259
15N chemical shifts	60
1H chemical shifts	417

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	HR4490C	1

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

SER

HIS

MET

SER

ASN

LYS

GLY

LYS

ARG

2

ARG

ASN

ARG

THR

PHE

THR

SER

TYR

GLN

3

LEU

GLU

LEU

GLU

LYS

VAL

PHE

GLN

LYS

4

THR

HIS

TYR

PRO

ASP

VAL

TYR

ALA

ARG

GLU

5

GLN

LEU

ALA

MET

ARG

THR

ASP

LEU

THR

GLU

6

ALA

ARG

VAL

GLN

VAL

TRP

PHE

GLN

ASN

ARG

7

ARG

ALA

LYS

TRP

ARG

LYS

ARG

GLU

ARG

PHE

8

GLY

GLN

MET

GLN

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:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	HR4490C.003	isotropic	sample_conditions_1
2D 1H-13C HSQC ali	HR4490C.003	isotropic	sample_conditions_1
3D HNCO	HR4490C.003	isotropic	sample_conditions_1
(4,3)D GFT CABCA(CO)NH	HR4490C.003	isotropic	sample_conditions_1
2D 1H-13C HSQC aro	HR4490C.003	isotropic	sample_conditions_1
(4,3)D GFT HNCABCA	HR4490C.003	isotropic	sample_conditions_1
3D simultaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY	HR4490C.003	isotropic	sample_conditions_1
3D HN(CA)CO	HR4490C.003	isotropic	sample_conditions_1
3D HBHA(CO)NH	HR4490C.003	isotropic	sample_conditions_1
3D (H)CCH-TOCSY ali	HR4490C.003	isotropic	sample_conditions_1
(4,3)D GFT HCCH-COSY ali	HR4490C.003	isotropic	sample_conditions_1
(4,3)D GFT HCCH-COSY aro	HR4490C.003	isotropic	sample_conditions_1
2D 15N HSQC His	HR4490C.003	isotropic	sample_conditions_1
2D 13C CT-HSQC	HR4490C.002	isotropic	sample_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

UNP	Q9H161
PDB	2M0C
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	Q9HAY9 O35137 Q4LAL6 Q9H161