BMRB Entry 11126

Name: Solution structure of the second CH domain of human spectrin beta chain, brain 2
Published: 2011-04-01

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PDB ID: 1wyq
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR11126
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:

Solution structure of the second CH domain of human spectrin beta chain, brain 2

Deposition date:

2010-03-31

Original release date:

2011-04-01

Authors:

Tomizawa, T.; Kigawa, T.; Koshiba, S.; Inoue, M.; Yokoyama, S.

Citation:

Citation: Tomizawa, T.; Kigawa, T.; Koshiba, S.; Inoue, M.; Yokoyama, S.. "Solution structure of the second CH domain of human spectrin beta chain, brain 2" .

Assembly members:

Assembly members:
CH domain, polymer, 127 residues, Formula weight is not available

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: P040705-11

Entity Sequences (FASTA):

Entity Sequences (FASTA):
CH domain: GSSGSSGAKDALLLWCQMKT AGYPNVNVHNFTTSWRDGLA FNAIVHKHRPDLLDFESLKK CNAHYNLQNAFNLAEKELGL TKLLDPEDVNVDQPDEKSII TYVATYYHYFSKMKALAVEG KSGPSSG

Data sets:

assigned_chemical_shifts
- chemical_shift_1

Data type	Count
13C chemical shifts	543
15N chemical shifts	123
1H chemical shifts	843

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	CH domain	1

Entities:

Entity 1, CH domain 127 residues - Formula weight is not available

1

GLY

SER

GLY

SER

GLY

ALA

LYS

ASP

2

ALA

LEU

TRP

CYS

GLN

MET

LYS

THR

3

ALA

GLY

TYR

PRO

ASN

VAL

ASN

VAL

HIS

ASN

4

PHE

THR

SER

TRP

ARG

ASP

GLY

LEU

ALA

5

PHE

ASN

ALA

ILE

VAL

HIS

LYS

HIS

ARG

PRO

6

ASP

LEU

ASP

PHE

GLU

SER

LEU

LYS

7

CYS

ASN

ALA

HIS

TYR

ASN

LEU

GLN

ASN

ALA

8

PHE

ASN

LEU

ALA

GLU

LYS

GLU

LEU

GLY

LEU

9

THR

LYS

LEU

ASP

PRO

GLU

ASP

VAL

ASN

10

VAL

ASP

GLN

PRO

ASP

GLU

LYS

SER

ILE

11

THR

TYR

VAL

ALA

THR

TYR

HIS

TYR

PHE

12

SER

LYS

MET

LYS

ALA

LEU

ALA

VAL

GLU

GLY

13

LYS

SER

GLY

PRO

SER

GLY

Samples:

sample_1: CH domain, [U-13C; U-15N], 1.20 mM; d-Tris-HCl 20 mM; NaCl 100 mM; d-DTT 1 mM; NaN3 0.02%; 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 v2.6, Bruker - collection

NMRPipe v20030801, Delaglio, F. - processing

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

Kujira v0.9295, Kobayashi, N. - data analysis

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

NMR spectrometers:

Bruker AVANCE 800 MHz

PDB	1WYQ
DBJ	BAA32473 BAA32699 BAA32700 BAE28063 BAG73753
GB	AAG28596 AAH79860 AAI39789 AAI72438 EAW74559
REF	NP_008877 NP_062040 NP_067262 XP_001108262 XP_002699440
SP	O15020 Q9QWN8
TPG	DAA13667
AlphaFold	O15020 Q9QWN8