BMRB Entry 5178

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PDB ID: 1k85
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR5178
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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 Fibronectin type III Domain from Bacillus circulans WL-12 Chitinase A1

Deposition date:

2001-10-15

Original release date:

2001-11-20

Authors:

Jee, JunGoo; Ikegami, Takahisa; Hashimoto, Masayuki; Kawabata, Takeshi; Ikeguchi, Mitsunori; Watanabe, Takeshi; Shirakawa, Masahiro

Citation:

Citation: Jee, JunGoo; Ikegami, Takahisa; Hashimoto, Masayuki; Kawabata, Takeshi; Ikeguchi, Mitsunori; Watanabe, Takeshi; Shirakawa, Masahiro. "Solution Structure of the Fibronectin type III Domain from Bacillus circulans WL-12 Chitinase A1" J. Biol. Chem. 277, 1388-1397 (2002).
PubMed: 11600504

Assembly members:

Assembly members:
chitinase FnIII domain, polymer, 88 residues, Formula weight is not available

Natural source:

Natural source: Common Name: soil bacteria Taxonomy ID: 1397 Superkingdom: Eubacteria Kingdom: not available Genus/species: Bacillus circulans

Experimental source:

Experimental source: Production method: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
chitinase FnIII domain: HMAPTAPTNLASTAQTTSSI TLSWTASTDNVGVTGYDVYN GTALATTVTGTTATISGLAA DTSYTFTVKAKDAAGNVSAA SNAVSVKT

Data sets:

assigned_chemical_shifts
- shift_set_1

Data type	Count
13C chemical shifts	316
15N chemical shifts	85
1H chemical shifts	505

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	FnIIID domain 2	1

Entities:

Entity 1, FnIIID domain 2 88 residues - Formula weight is not available

1

HIS

MET

ALA

PRO

THR

ALA

PRO

THR

ASN

LEU

2

ALA

SER

THR

ALA

GLN

THR

SER

ILE

3

THR

LEU

SER

TRP

THR

ALA

SER

THR

ASP

ASN

4

VAL

GLY

VAL

THR

GLY

TYR

ASP

VAL

TYR

ASN

5

GLY

THR

ALA

LEU

ALA

THR

VAL

THR

GLY

6

THR

ALA

THR

ILE

SER

GLY

LEU

ALA

7

ASP

THR

SER

TYR

THR

PHE

THR

VAL

LYS

ALA

8

LYS

ASP

ALA

GLY

ASN

VAL

SER

ALA

9

SER

ASN

ALA

VAL

SER

VAL

LYS

THR

Samples:

sample_1: chitinase FnIII domain, [U-15N; U-13C], 1.0 mM; phosphate buffer 20 mM; KCl 50 mM

ex-cond_1: pH: 6.5; temperature: 310 K

Experiments:

Name	Sample	Sample state	Sample conditions

Software:

No software information available

NMR spectrometers:

Bruker DMX 500 MHz
Bruker DRX 500 MHz
Bruker DRX 800 MHz