BMRB Entry 6073

Name: A functional SOD-like protein in Bacillus subtilis
Published: 2005-08-18

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PDB ID: 1u3n
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR6073
MolProbity Validation Chart

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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

A functional SOD-like protein in Bacillus subtilis

Deposition date:

2004-01-13

Original release date:

2005-08-18

Authors:

Banci, L.; Bertini, I.; Cramaro, F.; Del Conte, R.; Fantoni, A.; Quattrone, A.; Viezzoli, M. Silvia

Citation:

Citation: Banci, L.; Bertini, I.; Calderone, V.; Cramaro, F.; Del Conte, R.; Fantoni, A.; Mangani, S.; Quattrone, A.; Viezzoli, M.. "A prokaryotic superoxide dismutase paralog lacking two Cu ligands: From largely unstructured in solution to ordered in the crystal" Proc. Natl. Acad. Sci. U. S. A. 102, 7541-7546 (2005).
PubMed: 15897454

Assembly members:

Assembly members:
Hypothetical superoxide dismutase-like protein, polymer, 162 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Bacillus subtilis Taxonomy ID: 1423 Superkingdom: Eubacteria Kingdom: not available Genus/species: Bacillus subtilis

Experimental source:

Experimental source: Production method: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Hypothetical superoxide dismutase-like protein: VVETSAFGHHVQLVNREGKA VGFIEIKESDDEGLDIHISA NSLRPGASLGFHIYEKGSCV RPDFESAGGPFNPLNKEHGF NNPMGHHAGDLPNLEVGADG KVDVIMNAPDTSLKKGSKLN ILDEDGSAFIIHEQADDYLT NPSGNSGARIVCGALLGNNE KQ

Data sets:

assigned_chemical_shifts
- chemical_shift_set_1

Data type	Count
1H chemical shifts	868
13C chemical shifts	588
15N chemical shifts	152

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Hypothetical superoxide dismutase-like protein	1

Entities:

Entity 1, Hypothetical superoxide dismutase-like protein 162 residues - Formula weight is not available

1

VAL

GLU

THR

SER

ALA

PHE

GLY

HIS

2

VAL

GLN

LEU

VAL

ASN

ARG

GLU

GLY

LYS

ALA

3

VAL

GLY

PHE

ILE

GLU

ILE

LYS

GLU

SER

ASP

4

ASP

GLU

GLY

LEU

ASP

ILE

HIS

ILE

SER

ALA

5

ASN

SER

LEU

ARG

PRO

GLY

ALA

SER

LEU

GLY

6

PHE

HIS

ILE

TYR

GLU

LYS

GLY

SER

CYS

VAL

7

ARG

PRO

ASP

PHE

GLU

SER

ALA

GLY

PRO

8

PHE

ASN

PRO

LEU

ASN

LYS

GLU

HIS

GLY

PHE

9

ASN

PRO

MET

GLY

HIS

ALA

GLY

ASP

10

LEU

PRO

ASN

LEU

GLU

VAL

GLY

ALA

ASP

GLY

11

LYS

VAL

ASP

VAL

ILE

MET

ASN

ALA

PRO

ASP

12

THR

SER

LEU

LYS

GLY

SER

LYS

LEU

ASN

13

ILE

LEU

ASP

GLU

ASP

GLY

SER

ALA

PHE

ILE

14

ILE

HIS

GLU

GLN

ALA

ASP

TYR

LEU

THR

15

ASN

PRO

SER

GLY

ASN

SER

GLY

ALA

ARG

ILE

16

VAL

CYS

GLY

ALA

LEU

GLY

ASN

GLU

17

LYS

GLN

Samples:

sample_1: Hypothetical superoxide dismutase-like protein, [U-15N], 1.5 mM; H2O 90%; D2O 10%

sample_2: Hypothetical superoxide dismutase-like protein, [U-15N; U-13C], 1.5 mM; H2O 90%; D2O 10%

sample_cond_1: pH: 7.5; temperature: 298 K; pressure: 1 atm

sample_cond_2: pH: 7.5; temperature: 284 K; pressure: 1 atm

Experiments:

Name	Sample	Sample state	Sample conditions
15N-HSQC	not available	not available	not available
15N-CLEANEX	not available	not available	not available
HNHA	not available	not available	not available
HNHB	not available	not available	not available
15N-HSQC-NOESY	not available	not available	not available
2D NOESY	not available	not available	not available
13C-HSQC-NOESY	not available	not available	not available
CBCA(CO)NH	not available	not available	not available
CBCANH	not available	not available	not available
HN(CA)CO	not available	not available	not available
HNCO	not available	not available	not available
13C H(C)CH-TOCSY	not available	not available	not available
13C-(H)CCH-TOCSY	not available	not available	not available
13C-CC(CO)NH-TOCSY	not available	not available	not available

Software:

CALIBA - structure solution

DYANA - structure solution

AMBER - refinement

XWINNMR - collection

PROCHECK - data analysis

NMR spectrometers:

Bruker Avance 500 MHz
Bruker Avance 600 MHz
Bruker Avance 700 MHz
Bruker Avance 800 MHz

PDB	1S4I 1U3N 1XTL 1XTM
DBJ	BAI85608 BAM52604 BAM58179 GAK81228
EMBL	CAB13832 CCU58617 CEI57142 CEJ77567
GB	AAC17861 ADV92843 AEP91136 AFI28656 AFQ57880
REF	NP_389822 WP_004399243 WP_014477080 WP_014664276 WP_015251895
SP	O31851
AlphaFold	O31851