BMRB Entry 16248

Name: PknB-phosphorylated Rv1827
Published: 2009-05-20

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PDB ID: 2kfu
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16248
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:

PknB-phosphorylated Rv1827

Deposition date:

2009-04-08

Original release date:

2009-05-20

Authors:

Smerdon, Stephen; Nott, Timothy; Kelly, Geoff

Citation:

Citation: Nott, Timothy; Kelly, Geoff; Stach, Lasse; Li, Jiejin; Westcott, Sarah; Patel, Dony; Hunt, Debbie; Howell, Stephen; Buxton, Roger; O'Hare, Helen; Smerdon, Stephen. "An intramolecular switch regulates phosphoindependent FHA domain interactions in Mycobacterium tuberculosis" Sci. Signal 2, .-. (2009).
PubMed: 19318624

Assembly members:

Assembly members:
PknB-phosphorylated Rv1827, polymer, 167 residues, 17280.926 Da.

Natural source:

Natural source: Common Name: Mycobacterium tuberculosis Taxonomy ID: 1773 Superkingdom: Eubacteria Kingdom: not available Genus/species: Mycobacterium tuberculosis

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pGEX-6P1

Entity Sequences (FASTA):

Entity Sequences (FASTA):
PknB-phosphorylated Rv1827: GPLGSVTDMNPDIEKDQTSD EVTVETXSVFRADFLSELDA PAQAGTESAVSGVEGLPPGS ALLVVKRGPNAGSRFLLDQA ITSAGRHPDSDIFLDDVTVS RRHAEFRLENNEFNVVDVGS LNGTYVNREPVDSAVLANGD EVQIGKFRLVFLTGPKQGED DGSTGGP

Data sets:

assigned_chemical_shifts
- chemical_shift_set

Data type	Count
13C chemical shifts	643
15N chemical shifts	176
1H chemical shifts	1029

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	PknB-phosphorylated Rv1827	1

Entities:

Entity 1, PknB-phosphorylated Rv1827 167 residues - 17280.926 Da.

1

GLY

PRO

LEU

GLY

SER

VAL

THR

ASP

MET

ASN

2

PRO

ASP

ILE

GLU

LYS

ASP

GLN

THR

SER

ASP

3

GLU

VAL

THR

VAL

GLU

THR

TPO

SER

VAL

PHE

4

ARG

ALA

ASP

PHE

LEU

SER

GLU

LEU

ASP

ALA

5

PRO

ALA

GLN

ALA

GLY

THR

GLU

SER

ALA

VAL

6

SER

GLY

VAL

GLU

GLY

LEU

PRO

GLY

SER

7

ALA

LEU

VAL

LYS

ARG

GLY

PRO

ASN

8

ALA

GLY

SER

ARG

PHE

LEU

ASP

GLN

ALA

9

ILE

THR

SER

ALA

GLY

ARG

HIS

PRO

ASP

SER

10

ASP

ILE

PHE

LEU

ASP

VAL

THR

VAL

SER

11

ARG

HIS

ALA

GLU

PHE

ARG

LEU

GLU

ASN

12

ASN

GLU

PHE

ASN

VAL

ASP

VAL

GLY

SER

13

LEU

ASN

GLY

THR

TYR

VAL

ASN

ARG

GLU

PRO

14

VAL

ASP

SER

ALA

VAL

LEU

ALA

ASN

GLY

ASP

15

GLU

VAL

GLN

ILE

GLY

LYS

PHE

ARG

LEU

VAL

16

PHE

LEU

THR

GLY

PRO

LYS

GLN

GLY

GLU

ASP

17

ASP

GLY

SER

THR

GLY

PRO

Samples:

sample_1: sodium acetate 20 mM; sodium chloride 50 mM; Rv1827 pThr 22, [U-99% 13C; U-99% 15N], 0.3 – 1.0 mM; H2O 90%; D2O 10%

sample_2: sodium acetate 20 mM; sodium chloride 50 mM; Rv1827 pThr 22, [U-99% 13C; U-99% 15N], 0.3 – 1.0 mM; D2O 100%

sample_conditions_1: pH: 5.8; pressure: 1 atm; temperature: 298 K

sample_conditions_2: pH: 5.8; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCA	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 1H-13C NOESY	sample_2	isotropic	sample_conditions_2
3D H(CCO)NH	sample_1	isotropic	sample_conditions_1

Software:

ARIA_1.2, Linge, O'Donoghue and Nilges - structure solution

NMR spectrometers:

Varian INOVA 800 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks