BMRB Entry 18328

Name: Solution structure of CHCHD7
Published: 2012-09-14

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PDB ID: 2lqt
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18328
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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 structure of CHCHD7

Deposition date:

2012-03-14

Original release date:

2012-09-14

Authors:

Winkelmann, Julia; Ciofi-Baffoni, Simone; Banci, Lucia; Bertini, Ivano

Citation:

Citation: Banci, Lucia; Bertini, Ivano; Ciofi-Baffoni, Simone; Jaiswal, Deepa; Neri, Sara; Peruzzini, Riccardo; Winkelmann, Julia. "Structural characterization of CHCHD5 and CHCHD7: two atypical human twin CX9C proteins." J. Struct. Biol. 180, 190-200 (2012).
PubMed: 22842048

Assembly members:

Assembly members:
entity, polymer, 85 residues, 8598.808 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: pET16b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: MPSVTQRLRDPDINPCLSES DASTRCLDENNYDRERCSTY FLRYKNCRRFWNSIVMQRRK NGVKPFMPTAAERDEILRAV GNMPY

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	273
15N chemical shifts	74
1H chemical shifts	433

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	CHCHD7	1

Entities:

Entity 1, CHCHD7 85 residues - 8598.808 Da.

The first 13 residues are removed from the coordinate file as they are disordered. Two disulfide bonds are present between Cys16 and Cys47, and between Cys26 and Cys37

1

MET

PRO

SER

VAL

THR

GLN

ARG

LEU

ARG

ASP

2

PRO

ASP

ILE

ASN

PRO

CYS

LEU

SER

GLU

SER

3

ASP

ALA

SER

THR

ARG

CYS

LEU

ASP

GLU

ASN

4

ASN

TYR

ASP

ARG

GLU

ARG

CYS

SER

THR

TYR

5

PHE

LEU

ARG

TYR

LYS

ASN

CYS

ARG

PHE

6

TRP

ASN

SER

ILE

VAL

MET

GLN

ARG

LYS

7

ASN

GLY

VAL

LYS

PRO

PHE

MET

PRO

THR

ALA

8

ALA

GLU

ARG

ASP

GLU

ILE

LEU

ARG

ALA

VAL

9

GLY

ASN

MET

PRO

TYR

Samples:

sample_1: CHCHD7, [U-100% 15N], 0.5 – 1 mM; potassium phosphate 50 mM; H2O 90%; D2O 10%

sample_2: CHCHD7, [U-100% 13C; U-100% 15N], 0.5 – 1 mM; potassium phosphate 50 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 50 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_2	isotropic	sample_conditions_1
3D HNCO	sample_2	isotropic	sample_conditions_1
3D HNCA	sample_2	isotropic	sample_conditions_1
3D HNCACB	sample_2	isotropic	sample_conditions_1
3D HN(CO)CA	sample_2	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_2	isotropic	sample_conditions_1
3D HN(CA)CO	sample_2	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_2	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_2	isotropic	sample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection, processing

CARA, Keller and Wuthrich - data analysis

PECAN, Eghbalnia, Wang, Bahrami, Assadi, and Markley - data analysis

TALOS, Cornilescu, Delaglio and Bax - data analysis

ATNOS, Herrmann, Guntert and Wuthrich - peak picking

CANDID, Herrmann, Guntert and Wuthrich - NOEs assignment

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

XEASY, Bartels et al. - data analysis

AMBER, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm - refinement

ProcheckNMR, Laskowski and MacArthur - Structure validation

PSVS, Bhattacharya and Montelione - Structure validation

WhatIF, Vriend - Structure validation

Molmol, Koradi, Billeter and Wuthrich - data analysis

NMR spectrometers:

Bruker Avance 900 MHz
Bruker Avance 500 MHz
Bruker Avance 700 MHz

PDB	2LQT
DBJ	BAF82777
GB	AAH02546 AIC52242 EAW86776 EAW86778 EAW86779
REF	NP_001011668 NP_001011671 NP_077276 XP_001151645 XP_002819143
SP	Q9BUK0
AlphaFold	Q9BUK0