BMRB Entry 4864

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR4864

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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:

NMR Chemical shift mapping of the binding site of a protein proteinase inhibitor: changes in the 1H, 13C and 15N NMR chemical shifts of turkey ovomucoid third domain upon binding to bovine chymotrypsin Aa

Deposition date:

2000-10-17

Original release date:

2001-06-01

Authors:

Song, Jikui; Markley, John

Citation:

Citation: Song, Jikui; Markley, John. "NMR Chemical shift mapping of the binding site of a protein proteinase inhibitor: changes in the 1H, 13C and 15N NMR chemical shifts of turkey ovomucoid third domain upon binding to bovine chymotrypsin Aa" J. Mol. Recognit. 14, 166-171 (2001).

Assembly members:

Assembly members:
Ovomucoid Third Domain from Turkey, polymer, 56 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Turkey Taxonomy ID: 9103 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Meleagris Gallopavo

Experimental source:

Experimental source: Production method: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Ovomucoid Third Domain from Turkey: LAAVSVDCSEYPKPACTLEY RPLCGSDNKTYGNKCNFCNA VVESNGTLTLSHFGKC

Data sets:

assigned_chemical_shifts
- chemical_shifts_OMTKY3_pH7.3

Data type	Count
13C chemical shifts	96
15N chemical shifts	46
1H chemical shifts	46

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	OMTKY3	1

Entities:

Entity 1, OMTKY3 56 residues - Formula weight is not available

1

LEU

ALA

VAL

SER

VAL

ASP

CYS

SER

GLU

2

TYR

PRO

LYS

PRO

ALA

CYS

THR

LEU

GLU

TYR

3

ARG

PRO

LEU

CYS

GLY

SER

ASP

ASN

LYS

THR

4

TYR

GLY

ASN

LYS

CYS

ASN

PHE

CYS

ASN

ALA

5

VAL

GLU

SER

ASN

GLY

THR

LEU

THR

LEU

6

SER

HIS

PHE

GLY

LYS

CYS

Samples:

Sample_1: Ovomucoid Third Domain from Turkey, [U-13C; U-15N], 2 mM

condition_1: pH: 7.3; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
HNCA	not available	not available	not available
HN(CO)CA	not available	not available	not available
HNCO	not available	not available	not available

Software:

No software information available

NMR spectrometers:

Bruker DMX 600 MHz

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