BMRB Entry 11151

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PDB ID: 2yuu
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR11151
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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 the first Phorbol esters/diacylglycerol binding domain of human Protein kinase C, delta

Deposition date:

2010-04-15

Original release date:

2011-05-05

Authors:

Abe, H.; Miyamoto, K.; Tochio, N.; Saito, K.; Sasagawa, A.; Koshiba, S.; Inoue, M.; Kigawa, T.; Yokoyama, S.

Citation:

Citation: Abe, H.; Miyamoto, K.; Tochio, N.; Saito, K.; Sasagawa, A.; Koshiba, S.; Inoue, M.; Kigawa, T.; Yokoyama, S.. "Solution structure of the first Phorbol esters/diacylglycerol binding domain of human Protein kinase C, delta" .

Assembly members:

Assembly members:
Phorbol esters/diacylglycerol binding domain (C1 domain), polymer, 83 residues, Formula weight is not available
ZN, non-polymer, 65.409 Da.

Natural source:

Natural source: Common Name: human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source:

Experimental source: Production method: cell free synthesis Host organism: E. coli - cell free Vector: P050302-69

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Phorbol esters/diacylglycerol binding domain (C1 domain): GSSGSSGKQAKIHYIKNHEF IATFFGQPTFCSVCKDFVWG LNKQGYKCRQCNAAIHKKCI DKIIGRCTGTAANSRDTSGP SSG

Data sets:

assigned_chemical_shifts
- chemical_shift_1

Data type	Count
13C chemical shifts	310
15N chemical shifts	68
1H chemical shifts	483

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Phorbol esters/diacylglycerol binding domain (C1 domain)	1
2	ZINC ION no.1	2
3	ZINC ION no.2	2

Entities:

Entity 1, Phorbol esters/diacylglycerol binding domain (C1 domain) 83 residues - Formula weight is not available

1

GLY

SER

GLY

SER

GLY

LYS

GLN

ALA

2

LYS

ILE

HIS

TYR

ILE

LYS

ASN

HIS

GLU

PHE

3

ILE

ALA

THR

PHE

GLY

GLN

PRO

THR

PHE

4

CYS

SER

VAL

CYS

LYS

ASP

PHE

VAL

TRP

GLY

5

LEU

ASN

LYS

GLN

GLY

TYR

LYS

CYS

ARG

GLN

6

CYS

ASN

ALA

ILE

HIS

LYS

CYS

ILE

7

ASP

LYS

ILE

GLY

ARG

CYS

THR

GLY

THR

8

ALA

ASN

SER

ARG

ASP

THR

SER

GLY

PRO

9

SER

GLY

Entity 2, ZINC ION no.1 - Zn - 65.409 Da.

1

ZN

Samples:

sample_1: Phorbol esters/diacylglycerol binding domain (C1 domain), [U-13C; U-15N], 1.28 mM; d-Tris-HCl 20 mM; NaCl 100 mM; d-DTT 1 mM; NaN3 0.02%; ZnCl2 0.05 mM; IDA 1 mM; H2O 90%; D2O 10%

condition_1: ionic strength: 120 mM; pH: 7.0; pressure: 1 atm; temperature: 296 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D 15N-separated NOESY	sample_1	isotropic	condition_1
3D 13C-separated NOESY	sample_1	isotropic	condition_1

Software:

xwinnmr v3.5, Bruker - collection

NMRPipe v20031121, Delaglio, F. - processing

NMRView v5.0.4, Johnson, B.A. - data analysis

Kujira v0.9747, Kobayashi, N. - data analysis

CYANA v2.0.17, Guntert, P. - structure solution

NMR spectrometers:

Bruker AVANCE 800 MHz