BMRB Entry 5447

Name: pKa determinations for P8-Phe,P6-Asp OMTKY3
Published: 2003-03-20

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR5447

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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:

pKa determinations for P8-Phe,P6-Asp OMTKY3

Deposition date:

2002-07-04

Original release date:

2003-03-20

Authors:

Song, Jikui; Laskowski, Michael; Qasim, Mohammad; Markley, John

Citation:

Citation: Song, Jikui; Laskowski, Michael; Qasim, Mohammad; Markley, John. "NMR Determination of pKa Values for Asp, Glu, His, and Lys Mutants at Each Variable Contiguous Enzyme-inhibitor Contact Position of the Turkey Ovomucoid Third Domain" Biochemistry 42, 2847-2856 (2003).
PubMed: 12627950

Assembly members:

Assembly members:
P8-Phe,P6-Asp Turkey Ovomucoid Third Domain, 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):
P8-Phe,P6-Asp Turkey Ovomucoid Third Domain: LAAVSVDCSEFPDPACTLEY RPLCGSDNKTYGNKCNFCNA VVESNGTLTLSHFGKC

Data sets:

Data type	Count
pH NMR parameter values	30
pKa values	2

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	P8-Phe,P6-Asp OMTKY3	1

Entities:

Entity 1, P8-Phe,P6-Asp OMTKY3 56 residues - Formula weight is not available

1

LEU

ALA

VAL

SER

VAL

ASP

CYS

SER

GLU

2

PHE

PRO

ASP

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: P8-Phe,P6-Asp Turkey Ovomucoid Third Domain 2 mM; KCl 100 mM; DSS 0.4 mM

conditions_set_1: ionic strength: 100 mM; pH: .; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
TOCSY	sample_1	not available	conditions_set_1

Software:

No software information available

NMR spectrometers:

Bruker DMX 500 MHz