BMRB Entry 11502

Name: Copper(I) loaded form of the first domain of the human copper chaperone for SOD1, CCS
Published: 2013-04-01

Click here to enlarge.

PDB ID: 2rsq
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR11502
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

Select model:

I am color blind

Download raw data. Direct link to this display. Help

Title:

Copper(I) loaded form of the first domain of the human copper chaperone for SOD1, CCS

Deposition date:

2012-05-15

Original release date:

2013-04-01

Authors:

Banci, Lucia; Bertini, Ivano; Cantini, Francesca; Kozyreva, Tatiana; Rubino, Jeffrey

Citation:

Citation: Banci, Lucia; Bertini, Ivano; Cantini, Francesca; Kozyreva, Tatiana; Rubino, Jeffrey. "Copper(I) loaded form of the first domain of the human copper chaperone for SOD1, CCS" .

Assembly members:

Assembly members:
D1CCS, polymer, 89 residues, 7561.739 Da.
entity_CU1, non-polymer, 63.546 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: pDEST-HIs-MPB

Entity Sequences (FASTA):

Entity Sequences (FASTA):
D1CCS: GSFTMASDSGNQGTLCTLEF AVQMTCQSCVDAVRKSLQGV AGVQDVEVHLEDQMVLVHTT LPSQEVQALLEGTGRQAVLK GMGSGQLQN

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	334
15N chemical shifts	94
1H chemical shifts	475

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	D1CCS	1
2	COPPER (I) ION	2

Entities:

Entity 1, D1CCS 89 residues - 7561.739 Da.

GSFT gateway system. We have removed residues MASDSGNQ at the Nterminus and residues SGQLQN at the Cterminus because they are unstructured

1

GLY

SER

PHE

THR

MET

ALA

SER

ASP

SER

GLY

2

ASN

GLN

GLY

THR

LEU

CYS

THR

LEU

GLU

PHE

3

ALA

VAL

GLN

MET

THR

CYS

GLN

SER

CYS

VAL

4

ASP

ALA

VAL

ARG

LYS

SER

LEU

GLN

GLY

VAL

5

ALA

GLY

VAL

GLN

ASP

VAL

GLU

VAL

HIS

LEU

6

GLU

ASP

GLN

MET

VAL

LEU

VAL

HIS

THR

7

LEU

PRO

SER

GLN

GLU

VAL

GLN

ALA

LEU

8

GLU

GLY

THR

GLY

ARG

GLN

ALA

VAL

LEU

LYS

9

GLY

MET

GLY

SER

GLY

GLN

LEU

GLN

ASN

Entity 2, COPPER (I) ION - Cu - 63.546 Da.

1

CU1

Samples:

sample_1: D1CCS, [U-99% 15N], 0.5 ± 0.1 mM; H2O 90%; D2O 10%; Na phosphate 0.1 mM; NaCl 0.1 mM

sample_2: D1CCS, [U-99% 13C; U-99% 15N], 0.5 ± 0.1 mM; H2O 90%; D2O 10%; Na phosphate 0.1 mM; NaCl 0.1 mM

sample_3: D1CCS 0.5 ± 0.1 mM; H2O 90%; D2O 10%; Na phosphate 0.1 mM; NaCl 0.1 mM

sample_conditions_1: ionic strength: 0.2 M; pH: 6; pressure: 1 atm; temperature: 298 K

sample_conditions_2: ionic strength: 0.2 M; pH: 6.0; temperature: 298 K

sample_conditions_3: ionic strength: 0.2 M; pH: 6; 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_2
2D 1H-1H NOESY	sample_3	isotropic	sample_conditions_3
3D CBCA(CO)NH	sample_2	isotropic	sample_conditions_2
3D HNCO	sample_2	isotropic	sample_conditions_2
3D HNCA	sample_2	isotropic	sample_conditions_2
3D HNCACB	sample_2	isotropic	sample_conditions_2
3D HN(CO)CA	sample_2	isotropic	sample_conditions_2
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_2	isotropic	sample_conditions_2
3D HCCH-TOCSY	sample_2	isotropic	sample_conditions_2

Software:

TOPSPIN v2.0, Bruker Biospin - collection, processing

XEASY, Bartels et al. - data analysis

CARA, Keller, R. and W thrich, K. - chemical shift assignment

AMBER v10, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement

CYANA v2.0, Guntert, Mumenthaler and Wuthrich - structure solution

NMR spectrometers:

Bruker Avance 900 MHz
Bruker Avance 800 MHz
Bruker Avance 600 MHz

PDB	2CRL 2RSQ
DBJ	BAI63082 BAI63083 BAI63084 BAI63087
EMBL	CAG46726
GB	AAC51764 AAI05017 AAI12056 AAM50090 AAX36906
REF	NP_001167001 NP_001171971 NP_005116 XP_002821513 XP_003828733
SP	O14618
AlphaFold	O14618