BMRB Entry 11401

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR11401

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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 phorbol esters/diacylglycerol binding domain of protein kinase C gamma

Deposition date:

2010-09-09

Original release date:

2011-09-08

Authors:

Tanabe, W.; Suzuki, S.; Muto, Y.; Inoue, M.; Kigawa, T.; Terada, T.; Shirouzu, M.; Yokoyama, S.

Citation:

Citation: Tanabe, W.; Suzuki, S.; Muto, Y.; Inoue, M.; Kigawa, T.; Terada, T.; Shirouzu, M.; Yokoyama, S.. "Solution structure of the phorbol esters/diacylglycerol binding domain of protein kinase C gamma" .

Assembly members:

Assembly members:
C1 domain, residues 36-105, polymer, 77 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: P060626-05

Entity Sequences (FASTA):

Entity Sequences (FASTA):
C1 domain, residues 36-105: GSSGSSGHKFTARFFKQPTF CSHCTDFIWGIGKQGLQCQV CSFVVHRRCHEFVTFECPGA GKGPQTDDPRNKHKFRL

Data sets:

assigned_chemical_shifts
- chemical_shift_1

Data type	Count
13C chemical shifts	319
15N chemical shifts	68
1H chemical shifts	472

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	C1 domain, residues 36-105	1
2	ZINC ION no.1	2
3	ZINC ION no.2	2

Entities:

Entity 1, C1 domain, residues 36-105 77 residues - Formula weight is not available

1

GLY

SER

GLY

SER

GLY

HIS

LYS

PHE

2

THR

ALA

ARG

PHE

LYS

GLN

PRO

THR

PHE

3

CYS

SER

HIS

CYS

THR

ASP

PHE

ILE

TRP

GLY

4

ILE

GLY

LYS

GLN

GLY

LEU

GLN

CYS

GLN

VAL

5

CYS

SER

PHE

VAL

HIS

ARG

CYS

HIS

6

GLU

PHE

VAL

THR

PHE

GLU

CYS

PRO

GLY

ALA

7

GLY

LYS

GLY

PRO

GLN

THR

ASP

PRO

ARG

8

ASN

LYS

HIS

LYS

PHE

ARG

LEU

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

1

ZN

Samples:

sample_1: C1 domain, residues 36-105 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: 298 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 v0.9820, Kobayashi, N. - data analysis

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

NMR spectrometers:

Bruker AVANCE 800 MHz

PDB	2E73
REF	XP_003766545 XP_010615362