BMRB Entry 6266

Name: Solution structure of Cu(I) HAH1
Published: 2005-02-08

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PDB ID: 1tl4
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR6266
MolProbity Validation Chart

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

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Title:

Solution structure of Cu(I) HAH1

Deposition date:

2004-09-03

Original release date:

2005-02-08

Authors:

Anastassopoulou, I.; Banci, L.; Bertini, I.; Cantini, F.; Katsari, E.; Rosato, A.

Citation:

Citation: Anastassopoulou, I.; Banci, L.; Bertini, I.; Cantini, F.; Katsari, E.; Rosato, A.. "Solution structure of the apo and copper(I)-loaded human metallochaperone HAH1" Biochemistry 43, 13046-13053 (2004).
PubMed: 15476398

Assembly members:

Assembly members:
Copper transport protein ATOX1, polymer, 68 residues, Formula weight is not available
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: PET20B+

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Copper transport protein ATOX1: MPKHEFSVDMTCGGCAEAVS RVLNKLGGVKYDIDLPNKKV CIESEHSMDTLLATLKKTGK TVSYLGLE

Data sets:

assigned_chemical_shifts
- chemical_shift_set_1

Data type	Count
1H chemical shifts	420
15N chemical shifts	66

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Omega-conotoxin MVIIa	1
2	COPPER (I) ION	2

Entities:

Entity 1, Omega-conotoxin MVIIa 68 residues - Formula weight is not available

1

MET

PRO

LYS

HIS

GLU

PHE

SER

VAL

ASP

MET

2

THR

CYS

GLY

CYS

ALA

GLU

ALA

VAL

SER

3

ARG

VAL

LEU

ASN

LYS

LEU

GLY

VAL

LYS

4

TYR

ASP

ILE

ASP

LEU

PRO

ASN

LYS

VAL

5

CYS

ILE

GLU

SER

GLU

HIS

SER

MET

ASP

THR

6

LEU

ALA

THR

LEU

LYS

THR

GLY

LYS

7

THR

VAL

SER

TYR

LEU

GLY

LEU

GLU

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

1

CU1

Samples:

sample_1: Copper transport protein ATOX1, [U-15N], 1.0 mM; sodium acetate 10 mM; H2O 90%; D2O 10%

sample_2: Copper transport protein ATOX1, [U-95% 13C; U-98% 15N], 1.0 mM; DTT 4 mM; phosphate buffer 100 mM; H2O 90%; D2O 10%

sample_cond_1: pH: 6; temperature: 298 K; ionic strength: 10 mM; pressure: 1 atm

sample_cond_2: pH: 7; temperature: 298 K; ionic strength: 100 mM; pressure: 1 atm

Experiments:

Name	Sample	Sample state	Sample conditions
CBCANH	not available	not available	not available
CBCACONH	not available	not available	not available
HNCO	not available	not available	not available
HN(CA)CO	not available	not available	not available
(H)CCH TOCSY	not available	not available	not available
HNHA	not available	not available	not available
3D 15N-separated NOESY	not available	not available	not available
2D NOESY	not available	not available	not available
2D TOCSY	not available	not available	not available
3D 13C-separated NOESY	not available	not available	not available

Software:

XWINNMR - collection

XEASY v1.3 - data analysis

DIANA v1.5 - structure solution

CYANA v1.0 - structure solution

AMBER v5.0 - refinement

NMR spectrometers:

Bruker AVANCE 600 MHz

BMRB	15690 18299
PDB	1FE0 1FE4 1FEE 1TL4 1TL5 2K1R 2LQ9 3CJK 3IWL 3IWX
DBJ	BAF85752
EMBL	CAG33182
GB	AAC51227 AAI12249 AAI12251 AAN84554 AAP88788
REF	NP_004036 XP_001169183 XP_002816151 XP_003276598 XP_003829035
SP	O00244
AlphaFold	O00244