BMRB Entry 16556

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PDB ID: 2kpi
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR16556
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Solution NMR structure of Streptomyces coelicolor SCO3027 modelled with Zn+2 bound. Northeast Structural Genomics Consortium Target RR58.

Deposition date: 2009-10-15 Original release date: 2009-11-18

Authors: Ramelot, Theresa; Cort, John; Garcia, Maite; Yee, Adelinda; Arrowmith, Cheryl; Montelione, Gaetano; Kennedy, Michael

Citation: Ramelot, Theresa; Cort, John; Garcia, Maite; Yee, Adelinda; Arrowmith, Cheryl; Montelione, Gaetano; Kennedy, Michael. "Solution NMR structure of Streptomyces coelicolor SCO3027 modelled with Zn+2 bound. Northeast Structural Genomics Consortium Target RR58." Not known ., .-..

Assembly members:
RR58, polymer, 56 residues, 6000 Da.

Natural source: Common Name: Streptomyces coelicolor Taxonomy ID: 1902 Superkingdom: Bacteria Kingdom: not available Genus/species: Streptomyces coelicolor

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

Entity Sequences (FASTA):
RR58: MPLEAGLLEILACPACHAPL EERDAELICTGQDCGLAYPV RDGIPVLLVDEARRPE

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	234
15N chemical shifts	51
1H chemical shifts	384

Time Domain Data

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	RR58	1

Entities:

Entity 1, RR58 56 residues - 6000 Da.

1

MET

PRO

LEU

GLU

ALA

GLY

LEU

GLU

ILE

2

LEU

ALA

CYS

PRO

ALA

CYS

HIS

ALA

PRO

LEU

3

GLU

ARG

ASP

ALA

GLU

LEU

ILE

CYS

THR

4

GLY

GLN

ASP

CYS

GLY

LEU

ALA

TYR

PRO

VAL

5

ARG

ASP

GLY

ILE

PRO

VAL

LEU

VAL

ASP

6

GLU

ALA

ARG

PRO

GLU

Samples:

NC_sample: Tris 10 ± 0.5 mM; sodium chloride 300 ± 30 mM; zinc chloride 10 ± .5 mM; DTT 10 ± .5 mM; sodium azide 0.01 ± .001 %; protein, [U-100% 13C; U-100% 15N], 0.9 ± .1 mM

NC_sample_in_D2O: Tris 10 ± 0.5 mM; sodium chloride 300 ± 30 mM; zinc chloride 10 ± .5 mM; DTT 10 ± .5 mM; sodium azide 0.01 ± .001 %; protein, [U-100% 13C; U-100% 15N], 0.9 ± .1 mM

NC7_sample: Tris 10 ± 0.5 mM; sodium chloride 300 ± 30 mM; zinc chloride 10 ± .5 mM; DTT 10 ± .5 mM; sodium azide 0.01 ± .001 %; protein, [U-7% 13C; U-100% 15N], 0.9 ± .1 mM

sample_conditions_1: ionic strength: 200 mM; pH: 7.0; pressure: 1 atm; temperature: 293 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	NC_sample	isotropic	sample_conditions_1
2D 1H-13C HSQC arom	NC_sample	isotropic	sample_conditions_1
3D 1H-15N NOESY	NC_sample	isotropic	sample_conditions_1
3D 1H-13C NOESY aliph	NC_sample	isotropic	sample_conditions_1
3D HNCO	NC_sample	isotropic	sample_conditions_1
3D CBCA(CO)NH	NC_sample	isotropic	sample_conditions_1
3D HNCACB	NC_sample	isotropic	sample_conditions_1
3D HBHA(CO)NH	NC_sample	isotropic	sample_conditions_1
3D HCCH-TOCSY	NC_sample	isotropic	sample_conditions_1
3D (H)CCH-TOCSY	NC_sample	isotropic	sample_conditions_1
4D HCCH NOESY	NC_sample_in_D2O	isotropic	sample_conditions_1
3D C(CO)NH	NC_sample	isotropic	sample_conditions_1
3D H(CCO)NH	NC_sample	isotropic	sample_conditions_1
2D 1H-13C HSQC ct	NC7_sample	isotropic	sample_conditions_1
2D 1H-15N HSQC fast	NC_sample	isotropic	sample_conditions_1

Software:

NMRPipe v2008, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

VNMR v6.1C, Varian - collection

TOPSPIN v2.1.4, Bruker Biospin - collection

AutoStruct v2.2.1, Huang, Tejero, Powers and Montelione - data analysis

X-PLOR NIH v2.20, Schwieters, Kuszewski, Tjandra and Clore - structure solution

SPARKY v3.113, Goddard - data analysis

PSVS v1.3, Bhattacharya and Montelione - structure validation

AutoAssign v2.3.0, Zimmerman, Moseley, Kulikowski and Montelione - chemical shift assignment

PDBStat v5.0, (PDBStat) R. Tejero, G.T. Montelione - data analysis

CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

NMR spectrometers:

Varian INOVA 600 MHz
Bruker AvanceIII 850 MHz
Varian INOVA 500 MHz

PDB	2KPI
EMBL	CAB88911 CQR63713
GB	AIJ15443 AIR98739 AKZ56116 EFD68867
REF	NP_627249 WP_003975784

Biological Magnetic Resonance Data Bank