BMRB Entry 25447

Name: solution Structure of KstB-PCP in kosinostatin biosynthesis
Published: 2016-01-19

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PDB ID: 2my6
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/BMR25447
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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: solution Structure of KstB-PCP in kosinostatin biosynthesis

Deposition date: 2015-01-20 Original release date: 2016-01-19

Authors: Zhao, Bin

Citation: Zhao, Bin. "1H and 15N Assigned Chemical Shifts for KstB-PCP" Not known ., .-..

Assembly members:
entity, polymer, 91 residues, 9865.176 Da.

Natural source: Common Name: Micromonospora sp. TP-A0468 Taxonomy ID: 1182970 Superkingdom: Bacteria Kingdom: not available Genus/species: Micromonospora Micromonospora sp. TP-A0468

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

Entity Sequences (FASTA):
entity: SEMQHASVIAQFVVEEFLPD VAPADVDVDLDLVDNGVIDA LGLLKVIAWLEDRFGIAADD VELSPEHFRSIRSIDAFVVG ATTPPVEAKLQ

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	273
15N chemical shifts	92
1H chemical shifts	615

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity	1

Entities:

Entity 1, entity 91 residues - 9865.176 Da.

1

SER

GLU

MET

GLN

HIS

ALA

SER

VAL

ILE

ALA

2

GLN

PHE

VAL

GLU

PHE

LEU

PRO

ASP

3

VAL

ALA

PRO

ALA

ASP

VAL

ASP

VAL

ASP

LEU

4

ASP

LEU

VAL

ASP

ASN

GLY

VAL

ILE

ASP

ALA

5

LEU

GLY

LEU

LYS

VAL

ILE

ALA

TRP

LEU

6

GLU

ASP

ARG

PHE

GLY

ILE

ALA

ASP

7

VAL

GLU

LEU

SER

PRO

GLU

HIS

PHE

ARG

SER

8

ILE

ARG

SER

ILE

ASP

ALA

PHE

VAL

GLY

9

ALA

THR

PRO

VAL

GLU

ALA

LYS

LEU

10

GLN

Samples:

sample_1: KstB-PCP(apo), [U-99% 13C; U-99% 15N], 2 mM; phosphate 80 mM; Sodium chloride 50 mM

sample_conditions_1: pH: 7.0

Experiments:

Name	Sample	Sample state	Sample conditions
3D HNCACB	sample_1	isotropic	sample_conditions_1

Software:

CNS, Brunger A. T. et.al. - refinement

NMR spectrometers:

Agilent INOVA 600 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts