BMRB Entry 7126

Name: 1H,13C and 15N resonance assignments of barnase-barstar complex NMR deuterium methyl relaxation data for free barnase and barnase-barstar complex
Published: 2007-03-06

Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR7126

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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

1H,13C and 15N resonance assignments of barnase-barstar complex NMR deuterium methyl relaxation data for free barnase and barnase-barstar complex

Deposition date:

2006-05-22

Original release date:

2007-03-06

Authors:

Zhuravleva, Anastasia; Korzhnev, Dmitry; Nolde, Svetlana; Kay, Lewis; Arseniev, Alexander; Billiter, Martin; Orekhov, Vladislav

Citation:

Citation: Zhuravleva, Anastasia; Korzhnev, Dmitry; Nolde, Svetlana; Kay, Lewis; Arseniev, Alexander; Billiter, Martin; Orekhov, Vladislav. "Propagation of dynamic changes in barnase upon binding of barstar: an NMR and computational study" J. Mol. Biol. 367, 1079-1092 (2007).
PubMed: 17306298

Assembly members:

Assembly members:
barnase, polymer, 110 residues, 12401.9 Da.
barstar, polymer, 89 residues, 10223.7 Da.

Natural source:

Natural source: Common Name: Bacillus amyloliquefaciens Taxonomy ID: 1390 Superkingdom: Eubacteria Kingdom: Not applicable Genus/species: Bacillus amyloliquefaciens

Experimental source:

Experimental source: Production method: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
barnase: AQVINTFDGVADYLQTYHKL PDNYITKSEAQALGWVASKG NLADVAPGKSIGGDIFSNRE GKLPGKSGRTWREADINYTS GFRNSDRILYSSDWLIYKTT DHYQTFTKIR
barstar: KKAVINGEQIRSISDLHQTL KKELALPEYYGENLDALWDC LTGWVEYPLVLEWRQFEQSK QLTENGAESVLQVFREAKAE GCDITIILS

Data sets:

assigned_chemical_shifts
- chem_shift_list_1
order_parameters
- S2_com

Data type	Count
13C chemical shifts	250
15N chemical shifts	102
1H chemical shifts	266
order parameters	38

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	barnase	1
2	barstar	2

Entities:

Entity 1, barnase 110 residues - 12401.9 Da.

1	ALA	GLN	VAL	ILE	ASN	THR	PHE	ASP	GLY	VAL
2	ALA	ASP	TYR	LEU	GLN	THR	TYR	HIS	LYS	LEU
3	PRO	ASP	ASN	TYR	ILE	THR	LYS	SER	GLU	ALA
4	GLN	ALA	LEU	GLY	TRP	VAL	ALA	SER	LYS	GLY
5	ASN	LEU	ALA	ASP	VAL	ALA	PRO	GLY	LYS	SER
6	ILE	GLY	GLY	ASP	ILE	PHE	SER	ASN	ARG	GLU
7	GLY	LYS	LEU	PRO	GLY	LYS	SER	GLY	ARG	THR
8	TRP	ARG	GLU	ALA	ASP	ILE	ASN	TYR	THR	SER
9	GLY	PHE	ARG	ASN	SER	ASP	ARG	ILE	LEU	TYR
10	SER	SER	ASP	TRP	LEU	ILE	TYR	LYS	THR	THR
11	ASP	HIS	TYR	GLN	THR	PHE	THR	LYS	ILE	ARG

Entity 2, barstar 89 residues - 10223.7 Da.

1

LYS

ALA

VAL

ILE

ASN

GLY

GLU

GLN

ILE

2

ARG

SER

ILE

SER

ASP

LEU

HIS

GLN

THR

LEU

3

LYS

GLU

LEU

ALA

LEU

PRO

GLU

TYR

4

GLY

GLU

ASN

LEU

ASP

ALA

LEU

TRP

ASP

CYS

5

LEU

THR

GLY

TRP

VAL

GLU

TYR

PRO

LEU

VAL

6

LEU

GLU

TRP

ARG

GLN

PHE

GLU

GLN

SER

LYS

7

GLN

LEU

THR

GLU

ASN

GLY

ALA

GLU

SER

VAL

8

LEU

GLN

VAL

PHE

ARG

GLU

ALA

LYS

ALA

GLU

9

GLY

CYS

ASP

ILE

THR

ILE

LEU

SER

Name	Sample	Sample state	Sample conditions
HNCACB	sample_1	not available	conditions_1
CBCA(CO)NH	sample_1	not available	conditions_1
(H)CC(CO)TOCSY	sample_1	not available	conditions_1
H(CC)(CO)NH-TOCSY	sample_1	not available	conditions_1
13C HSQC-RQ(3Dz2-2)	sample_1	not available	conditions_1
13C HSQC-RQ(D+z+Dz+)	sample_1	not available	conditions_1
13C HSQC-RQ(Dz)	sample_1	not available	conditions_1
13C HSQC-RQ(D+)	sample_1	not available	conditions_1
15N HSQC	sample_1	not available	conditions_1

BMRB	5293 6227
PDB	1A19 1AB7 1AY7 1B27 1B2S 1B2U 1B3S 1BGS 1BRS 1BTA 1BTB 1X1U 3DA7
EMBL	CAA33551 CBI41926 CCG48789 CCP20814 CDG25099
GB	AAM10782 AAO92245 AAP41138 AAP41140 ABS73233
REF	WP_007408543 WP_007610138 WP_013351425 WP_014720882 WP_015239422
SP	P11540
AlphaFold	P11540

BMRB Entry 7126

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers:

Related Database Links:

1	ALA	GLN	VAL	ILE	ASN	THR	PHE	ASP	GLY	VAL
2	ALA	ASP	TYR	LEU	GLN	THR	TYR	HIS	LYS	LEU
3	PRO	ASP	ASN	TYR	ILE	THR	LYS	SER	GLU	ALA
4	GLN	ALA	LEU	GLY	TRP	VAL	ALA	SER	LYS	GLY
5	ASN	LEU	ALA	ASP	VAL	ALA	PRO	GLY	LYS	SER
6	ILE	GLY	GLY	ASP	ILE	PHE	SER	ASN	ARG	GLU
7	GLY	LYS	LEU	PRO	GLY	LYS	SER	GLY	ARG	THR
8	TRP	ARG	GLU	ALA	ASP	ILE	ASN	TYR	THR	SER
9	GLY	PHE	ARG	ASN	SER	ASP	ARG	ILE	LEU	TYR
10	SER	SER	ASP	TRP	LEU	ILE	TYR	LYS	THR	THR
11	ASP	HIS	TYR	GLN	THR	PHE	THR	LYS	ILE	ARG

1	ALA	GLN	VAL	ILE	ASN	THR	PHE	ASP	GLY	VAL
2	ALA	ASP	TYR	LEU	GLN	THR	TYR	HIS	LYS	LEU
3	PRO	ASP	ASN	TYR	ILE	THR	LYS	SER	GLU	ALA
4	GLN	ALA	LEU	GLY	TRP	VAL	ALA	SER	LYS	GLY
5	ASN	LEU	ALA	ASP	VAL	ALA	PRO	GLY	LYS	SER
6	ILE	GLY	GLY	ASP	ILE	PHE	SER	ASN	ARG	GLU
7	GLY	LYS	LEU	PRO	GLY	LYS	SER	GLY	ARG	THR
8	TRP	ARG	GLU	ALA	ASP	ILE	ASN	TYR	THR	SER
9	GLY	PHE	ARG	ASN	SER	ASP	ARG	ILE	LEU	TYR
10	SER	SER	ASP	TRP	LEU	ILE	TYR	LYS	THR	THR
11	ASP	HIS	TYR	GLN	THR	PHE	THR	LYS	ILE	ARG

1	ALA	GLN	VAL	ILE	ASN	THR	PHE	ASP	GLY	VAL
2	ALA	ASP	TYR	LEU	GLN	THR	TYR	HIS	LYS	LEU
3	PRO	ASP	ASN	TYR	ILE	THR	LYS	SER	GLU	ALA
4	GLN	ALA	LEU	GLY	TRP	VAL	ALA	SER	LYS	GLY
5	ASN	LEU	ALA	ASP	VAL	ALA	PRO	GLY	LYS	SER
6	ILE	GLY	GLY	ASP	ILE	PHE	SER	ASN	ARG	GLU
7	GLY	LYS	LEU	PRO	GLY	LYS	SER	GLY	ARG	THR
8	TRP	ARG	GLU	ALA	ASP	ILE	ASN	TYR	THR	SER
9	GLY	PHE	ARG	ASN	SER	ASP	ARG	ILE	LEU	TYR
10	SER	SER	ASP	TRP	LEU	ILE	TYR	LYS	THR	THR
11	ASP	HIS	TYR	GLN	THR	PHE	THR	LYS	ILE	ARG