BMRB Entry 17762

Name: Solution structure of the monomeric derivative of BS-RNase
Published: 2012-01-23

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PDB ID: 2lfj
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/BMR17762
MolProbity Validation Chart

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

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Title:

Solution structure of the monomeric derivative of BS-RNase

Deposition date:

2011-07-06

Original release date:

2012-01-23

Authors:

Spadaccini, Roberta; Picone, Delia

Citation:

Citation: Spadaccini, Roberta; Ercole, Carmine; Gentile, Maria; Sanfelice, Domenico; Boelens, Rolf; Wechselberger, Rainer; Batta, Gyula; Bernini, Andrea; Niccolai, Neri; Picone, Delia. "NMR Studies on Structure and Dynamics of the Monomeric Derivative of BS-RNase: New Insights for 3D Domain Swapping." PLoS ONE 7, .-. (2012).
PubMed: 22253705

Assembly members:

Assembly members:
mBS, polymer, 124 residues, 13633.684 Da.

Natural source:

Natural source: Common Name: cow Taxonomy ID: 9913 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Bos taurus

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET22b(+)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
mBS: KESAAAKFERQHMDSGNSPS SSSNYCNLMMCCRKMTQGKC KPVNTFVHESLADVKAVCSQ KKVTCKDGQTNCYQSKSTMR ITDCRETGSSKYPNCAYKTT QVEKHIIVACGGKPSVPVHF DASV

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	350
15N chemical shifts	132
1H chemical shifts	634

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	mBS	1

Entities:

Entity 1, mBS 124 residues - 13633.684 Da.

1

LYS

GLU

SER

ALA

LYS

PHE

GLU

ARG

2

GLN

HIS

MET

ASP

SER

GLY

ASN

SER

PRO

SER

3

SER

ASN

TYR

CYS

ASN

LEU

MET

4

CYS

ARG

LYS

MET

THR

GLN

GLY

LYS

CYS

5

LYS

PRO

VAL

ASN

THR

PHE

VAL

HIS

GLU

SER

6

LEU

ALA

ASP

VAL

LYS

ALA

VAL

CYS

SER

GLN

7

LYS

VAL

THR

CYS

LYS

ASP

GLY

GLN

THR

8

ASN

CYS

TYR

GLN

SER

LYS

SER

THR

MET

ARG

9

ILE

THR

ASP

CYS

ARG

GLU

THR

GLY

SER

10

LYS

TYR

PRO

ASN

CYS

ALA

TYR

LYS

THR

11

GLN

VAL

GLU

LYS

HIS

ILE

VAL

ALA

CYS

12

GLY

LYS

PRO

SER

VAL

PRO

VAL

HIS

PHE

13

ASP

ALA

SER

VAL

Samples:

sample_1: mBS, [U-100% 13C; U-100% 15N], 1 mM; H2O 90%; D2O 10%

sample_2: mBS, [U-100% 15N], 1 mM; H2O 90%; D2O 10%

comditions_1: pH: 5.8; temperature: 300 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D HNCO	sample_1	isotropic	comditions_1
3D HNCA	sample_1	isotropic	comditions_1
3D HNCACB	sample_1	isotropic	comditions_1
3D CBCA(CO)NH	sample_1	isotropic	comditions_1
3D HCCH-TOCSY	sample_1	isotropic	comditions_1
2D 1H-15N HSQC	sample_2	isotropic	comditions_1
3D 1H-15N NOESY	sample_2	isotropic	comditions_1
3D 1H-13C NOESY aliphatic	sample_1	isotropic	comditions_1
2D 1H-13C HSQC aromatic	sample_1	isotropic	comditions_1

Software:

AMBER, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm - refinement

NMRView, Johnson, One Moon Scientific - chemical shift assignment

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMR spectrometers:

Bruker Avance 600 MHz
Bruker Avance 750 MHz

PDB	11BA 11BG 1BSR 1N1X 1N3Z 1QWQ 1R3M 1R5C 1R5D 1TQ9 1Y92 2LFJ 3BCM 3BCO 3DJO 3DJP 3DJQ 3DJV 3DJX
EMBL	CAA04155 CAA26832 CAA35716
GB	AAB27820 AAB36140 ELR52955
REF	NP_861526 XP_005211518 XP_005900636 XP_010837733
SP	P00669
TPE	CDG32087
TPG	DAA25468
AlphaFold	P00669