BMRB Entry 5044

Click here to enlarge.

PDB ID: 1ie5
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR5044
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

Select model:

I am color blind

Download raw data. Direct link to this display. Help

Title:

1H, 13C, and 15N Chemical shift assignments for the third Immunoglobulin domain from the neural cell adhesion molecule, N-CAM

Deposition date:

2001-06-05

Original release date:

2001-11-14

Authors:

Atkins, A.; Chung, J.; Deechongkit, S.; Little, E.; Edelman, G.; Wright, P.; Cunningham, B.; Dyson, H.

Citation:

Citation: Atkins, A.; Chung, J.; Deechongkit, S.; Little, E.; Edelman, G.; Wright, P.; Cunningham, B.; Dyson, H.. "Solution Structure of the Third Immunoglobulin Domain of the Neural Cell Adhesion Molecule N-CAM: Can Solution Studies Define the Mechanism of Homophilic Binding?" J. Mol. Biol. 311, 161-172 (2001).
PubMed: 11469865

Assembly members:

Assembly members:
Third Immunoglobulin domain of the Neural cell adhesion molecule, polymer, 107 residues, 11839 Da.

Natural source:

Natural source: Common Name: chicken Taxonomy ID: 9031 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: gallus gallus

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET3d

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Third Immunoglobulin domain of the Neural cell adhesion molecule: GKDIQVIVNVPPSVRARQST MNATANLSQSVTLACDADGF PEPTMTWTKDGEPIEQEDNE EKYSFNYDGSELIIKKVDKS DEAEYICIAENKAGEQDATI HLKVFAK

Data sets:

assigned_chemical_shifts
- chemical_shift_set_1

Data type	Count
13C chemical shifts	324
15N chemical shifts	111
1H chemical shifts	721

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	IgIII	1

Entities:

Entity 1, IgIII 107 residues - 11839 Da.

1

GLY

LYS

ASP

ILE

GLN

VAL

ILE

VAL

ASN

VAL

2

PRO

SER

VAL

ARG

ALA

ARG

GLN

SER

THR

3

MET

ASN

ALA

THR

ALA

ASN

LEU

SER

GLN

SER

4

VAL

THR

LEU

ALA

CYS

ASP

ALA

ASP

GLY

PHE

5

PRO

GLU

PRO

THR

MET

THR

TRP

THR

LYS

ASP

6

GLY

GLU

PRO

ILE

GLU

GLN

GLU

ASP

ASN

GLU

7

GLU

LYS

TYR

SER

PHE

ASN

TYR

ASP

GLY

SER

8

GLU

LEU

ILE

LYS

VAL

ASP

LYS

SER

9

ASP

GLU

ALA

GLU

TYR

ILE

CYS

ILE

ALA

GLU

10

ASN

LYS

ALA

GLY

GLU

GLN

ASP

ALA

THR

ILE

11

HIS

LEU

LYS

VAL

PHE

ALA

LYS

Samples:

sample_1: Third Immunoglobulin domain of the Neural cell adhesion molecule, [U-15N; U-13C], 1.0 mM

sample_cond_1: ionic strength: 0 mM; pH*: 6.8; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D_13C-separated NOESY	sample_1	not available	sample_cond_1
3D_15N-separated NOESY	sample_1	not available	sample_cond_1
HNHB	sample_1	not available	sample_cond_1
CGCN	sample_1	not available	sample_cond_1
CGCO	sample_1	not available	sample_cond_1

Software:

NMRPipe v1.8 - processing

DYANA v1.5 - structure calculations

AMBER v7 - structure refinement

NMRView v3 - data analysis

SANE v1 - noe assignments

NMR spectrometers:

Bruker AMX 500 MHz

PDB	1IE5
REF	XP_010213927