BMRB Entry 15112

Name: Assignment of the reduced Cu,Zn Superoxide Dismutase from Salmonella choleraesuis
Published: 2007-06-27

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PDB ID: 2k4w
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR15112
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:

Assignment of the reduced Cu,Zn Superoxide Dismutase from Salmonella choleraesuis

Deposition date:

2007-01-24

Original release date:

2007-06-27

Authors:

Jimenez, Beatriz; Mori, Mirko; Piccioli, Mario; Sette, Marco; Battistoni, Andrea

Citation:

Citation: Jimenez, Beatriz; Mori, Mirko; Battistoni, Andrea; Sette, Marco; Piccioli, Mario. "NMR assignment of reduced form of copper, zinc superoxide dismutase from Salmonella enterica" Biomol. NMR Assignments 1, 65-67 (2007).
PubMed: 19636828

Assembly members:

Assembly members:
c2sod, polymer, 154 residues, Formula weight is not available
CU1, non-polymer, Formula weight is not available
ZN, non-polymer, Formula weight is not available

Natural source:

Natural source: Common Name: Salmonella choleraesuis Taxonomy ID: 591 Superkingdom: Bacteria Kingdom: not available Genus/species: Salmonella choleraesuis

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
c2sod: ASEKVGMNLVTAQGVGQSIG TVVIDETEGGLKFTPHLKAL PPGEHGFHIHANGSCQPAIK DGQAVAAEAAGGHLDPQNTG KHEGPEGQGHLGDLPVLVVN NDGIATEPVTAPRLKSLDEV KDKALMIHVGGDNMSDQPKP LGGGGTRYACGVIK

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	679
15N chemical shifts	178
1H chemical shifts	1034

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	c2sod	1
2	Cu(I)	2
3	Zn(II)	3

Entities:

Entity 1, c2sod 154 residues - Formula weight is not available

1

ALA

SER

GLU

LYS

VAL

GLY

MET

ASN

LEU

VAL

2

THR

ALA

GLN

GLY

VAL

GLY

GLN

SER

ILE

GLY

3

THR

VAL

ILE

ASP

GLU

THR

GLU

GLY

4

LEU

LYS

PHE

THR

PRO

HIS

LEU

LYS

ALA

LEU

5

PRO

GLY

GLU

HIS

GLY

PHE

HIS

ILE

HIS

6

ALA

ASN

GLY

SER

CYS

GLN

PRO

ALA

ILE

LYS

7

ASP

GLY

GLN

ALA

VAL

ALA

GLU

ALA

8

GLY

HIS

LEU

ASP

PRO

GLN

ASN

THR

GLY

9

LYS

HIS

GLU

GLY

PRO

GLU

GLY

GLN

GLY

HIS

10

LEU

GLY

ASP

LEU

PRO

VAL

LEU

VAL

ASN

11

ASN

ASP

GLY

ILE

ALA

THR

GLU

PRO

VAL

THR

12

ALA

PRO

ARG

LEU

LYS

SER

LEU

ASP

GLU

VAL

13

LYS

ASP

LYS

ALA

LEU

MET

ILE

HIS

VAL

GLY

14

GLY

ASP

ASN

MET

SER

ASP

GLN

PRO

LYS

PRO

15

LEU

GLY

THR

ARG

TYR

ALA

CYS

16

GLY

VAL

ILE

LYS

Entity 2, Cu(I) - Formula weight is not available

1

CU1

Entity 3, Zn(II) - Formula weight is not available

1

ZN

Samples:

sample_1: c2sod, [U-95% 13C; U-95% 15N], 1.8 mM

sample_2: c2sod, [U-98% 15N], 1.6 mM

sample_conditions_1: ionic strength: 0.02 M; pH: 6.0; 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_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_2	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1
3D HNHA	sample_2	isotropic	sample_conditions_1
3D HNHB	sample_2	isotropic	sample_conditions_1
2D CACO	sample_1	isotropic	sample_conditions_1
2D CBCACO	sample_1	isotropic	sample_conditions_1
2D CON	sample_1	isotropic	sample_conditions_1
2D CC-COSY	sample_1	isotropic	sample_conditions_1

Software:

CARA vcara_1.5.3_linux, Keller and Wuthrich - chemical shift assignment

NMR spectrometers:

Bruker Avance 900 MHz
Bruker Avance 800 MHz
Bruker Avance 700 MHz
Bruker Avance 500 MHz

PDB	2K4W
DBJ	BAJ36397 BAP07292
EMBL	CAD01927 CAF06532 CAR33189 CAR37537 CAR59488
GB	AAC13559 AAL20362 AAO68958 AAV74622 AAV77354
PIR	AF0694
REF	NP_456090 NP_460403 WP_000315605 WP_000826811 WP_000826812
SP	O68901
AlphaFold	O68901