BMRB Entry 4466

Name: Chemical Shift assignments for Cu(I) Pseudoazurin from Paracoccus pantotrophus
Published: 2002-08-09

Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR4466

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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:

Chemical Shift assignments for Cu(I) Pseudoazurin from Paracoccus pantotrophus

Deposition date:

1999-11-30

Original release date:

2002-08-09

Authors:

Thompson, Gary; Leung, Yun-Chung; Ferguson, Stuart; Radford, Sheena; Redfield, Christina

Citation:

Citation: Thompson, Gary; Leung, Yun-Chung; Ferguson, Stuart; Radford, Sheena; Redfield, Christina. "The Structure and Dynamics in Solution of Cu(I) Pseudoazurin from Paracoccus pantotrophus." Protein Sci. 9, 846-858 (2000).

Assembly members:

Assembly members:
pseudoazurin, polymer, 123 residues, 13341.29 Da.
CU1, non-polymer, 63.546 Da.

Natural source:

Natural source: Common Name: Paracoccus pantotrophus Taxonomy ID: 82367 Superkingdom: Prokaryote Kingdom: Monera Genus/species: Paracoccus pantotrophus

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
pseudoazurin: ATHEVHMLNKGESGAMVFEP AFVRAEPGDVINFVPTDKSH NVEAIKEILPEGVESFKSKI NESYTLTVTEPGLYGVKCTP HFGMGMVGLVQVGDAPENLD AAKTAKMPKKARERMDAELA QVN

Data sets:

assigned_chemical_shifts
- pazcui_chemical_shifts

Data type	Count
1H chemical shifts	838
15N chemical shifts	121

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Pseudoazurin	1
2	Copper I ion	2

Entities:

Entity 1, Pseudoazurin 123 residues - 13341.29 Da.

1

ALA

THR

HIS

GLU

VAL

HIS

MET

LEU

ASN

LYS

2

GLY

GLU

SER

GLY

ALA

MET

VAL

PHE

GLU

PRO

3

ALA

PHE

VAL

ARG

ALA

GLU

PRO

GLY

ASP

VAL

4

ILE

ASN

PHE

VAL

PRO

THR

ASP

LYS

SER

HIS

5

ASN

VAL

GLU

ALA

ILE

LYS

GLU

ILE

LEU

PRO

6

GLU

GLY

VAL

GLU

SER

PHE

LYS

SER

LYS

ILE

7

ASN

GLU

SER

TYR

THR

LEU

THR

VAL

THR

GLU

8

PRO

GLY

LEU

TYR

GLY

VAL

LYS

CYS

THR

PRO

9

HIS

PHE

GLY

MET

GLY

MET

VAL

GLY

LEU

VAL

10

GLN

VAL

GLY

ASP

ALA

PRO

GLU

ASN

LEU

ASP

11

ALA

LYS

THR

ALA

LYS

MET

PRO

LYS

12

ALA

ARG

GLU

ARG

MET

ASP

ALA

GLU

LEU

ALA

13

GLN

VAL

ASN

Entity 2, Copper I ion - Cu - 63.546 Da.

1

CU1

Samples:

pazcu1_h2o_sample1: pseudoazurin, [U-15N], 3 mM; COPPER (I) ION 3 mM; H2O 95%; D2O 5%; Na2S2O4 6.6 mM; PO42- 20 mM

pazcu1_d2o_sample1: pseudoazurin, [U-15N], 3 mM; COPPER (I) ION 3 mM; D2O 100%; Na2S2O4 6.6 mM; PO42- 20 mM

standard_conditions: pH: 6.6; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
1H - 1H double quantum filtered COSY	pazcu1_d2o_sample1	not available	standard_conditions
1H - 1H 60ms TOCSY	pazcu1_d2o_sample1	not available	standard_conditions
1H - 1H 200ms NOESY	pazcu1_d2o_sample1	not available	standard_conditions

Software:

FELIX v2.3, MSI - raw spectral data (FID) transformations, strip extraction, initial chemical shift measurements

NMRView v2.00 - 4.03, Bruce Johnson, Merck and Co. - peak picking, computer aided assignment, restraint generation

NMR spectrometers:

homebuilt . 750 MHz

PDB	1ADW 3ERX 4BWT 4BWU 4BXV
EMBL	CAA93848 CAA97485
GB	KGJ09874
REF	WP_024842647 WP_036756592
SP	P80401
AlphaFold	P80401