BMRB Entry 6530

Name: CC45, An Artificial WW Domain Designed Using Statistical Coupling Analysis
Published: 2005-10-26

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PDB ID: 1ymz
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR6530
MolProbity Validation Chart

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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:

CC45, An Artificial WW Domain Designed Using Statistical Coupling Analysis

Deposition date:

2005-03-09

Original release date:

2005-10-26

Authors:

Socolich, M.; Lockless, S.; Russ, W.; Lee, H.; Gardner, K.; Ranganathan, R.

Citation:

Citation: Socolich, M.; Lockless, S.; Russ, W.; Lee, H.; Gardner, K.; Ranganathan, R.. "Evolutionary information for specifying a protein fold" Nature 437, 512-518 (2005).
PubMed: 16177782

Assembly members:

Assembly members:
CC45, polymer, 43 residues, Formula weight is not available

Natural source:

Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
CC45: GSHGRSMPLPPGWERRTDVE GKVYYFNVRTLTTTWERPTI ILE

Data sets:

assigned_chemical_shifts
- chemical_shift_set_1

Data type	Count
15N chemical shifts	35
1H chemical shifts	269

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	CC45	1

Entities:

Entity 1, CC45 43 residues - Formula weight is not available

1

GLY

SER

HIS

GLY

ARG

SER

MET

PRO

LEU

PRO

2

PRO

GLY

TRP

GLU

ARG

THR

ASP

VAL

GLU

3

GLY

LYS

VAL

TYR

PHE

ASN

VAL

ARG

THR

4

LEU

THR

TRP

GLU

ARG

PRO

THR

ILE

5

ILE

LEU

GLU

Samples:

sample_1: CC45 600 uM; sodium phosphate buffer 100 mM; NaCl 100 mM; H2O 90%; D2O 10%

sample_2: CC45 600 uM; sodium phosphate buffer 100 mM; NaCl 100 mM; D2O 99%

sample_3: CC45, [U-15N], 850 uM; sodium phosphate buffer 100 mM; NaCl 100 mM; H2O 90%; D2O 10%

sample_cond_1: ionic strength: 100 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
DQF-COSY	not available	not available	not available
2D TOCSY	not available	not available	not available
2D NOESY	not available	not available	not available
3D 15N-separated NOESY	not available	not available	not available
3D 15N-separated TOCSY	not available	not available	not available

Software:

NMRPipe v2.3 - processing

NMRView v5.2.2 - data analysis

CNS v1.1 - structure solution

ARIA v1.2 - refinement, structure solution

NMR spectrometers:

Varian INOVA 600 MHz