BMRB: 5178

Solution Structure of the Fibronectin type III Domain from Bacillus circulans WL-12 Chitinase A1

Authors

Jee, J., Ikegami, T., Hashimoto, M., Kawabata, T., Ikeguchi, M., Watanabe, T., Shirakawa, M.

Assembly

chitinase fibronectin type III domain

Entity

1. chitinase fibronectin type III domain (polymer, Thiol state: not present), 88 monomers, 8691.390 Da Detail

HMAPTAPTNL ASTAQTTSSI TLSWTASTDN VGVTGYDVYN GTALATTVTG TTATISGLAA DTSYTFTVKA KDAAGNVSAA SNAVSVKT

Formula weight

8691.39 Da

Source organism

Niallia circulans

Exptl. method

NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.9 %, Completeness: 90.2 %, Completeness (bb): 96.8 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	90.2 % (782 of 867)	91.0 % (384 of 422)	88.6 % (312 of 352)	92.5 % (86 of 93)
Backbone	96.8 % (507 of 524)	96.7 % (174 of 180)	96.9 % (250 of 258)	96.5 % (83 of 86)
Sidechain	83.5 % (355 of 425)	86.8 % (210 of 242)	80.7 % (142 of 176)	42.9 % (3 of 7)
Aromatic	32.0 % (16 of 50)	60.0 % (15 of 25)	0.0 % (0 of 24)	100.0 % (1 of 1)
Methyl	93.0 % (119 of 128)	95.3 % (61 of 64)	90.6 % (58 of 64)

1. chitinase FnIII domain

HMAPTAPTNL ASTAQTTSSI TLSWTASTDN VGVTGYDVYN GTALATTVTG TTATISGLAA DTSYTFTVKA KDAAGNVSAA SNAVSVKT

Show sample condition

Sample

Temperature 310 (±1.5) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	chitinase FnIII domain	[U-15N; U-13C]		1.0 mM
2	phosphate buffer			20 mM
3	KCl			50 mM

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LACS Plot; CA

Referencing offset: -0.14 ppm, Outliers: 1 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; CB

Referencing offset: -0.14 ppm, Outliers: 1 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; HA

Referencing offset: -0.19 ppm, Outliers: 3 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; CO

Referencing offset: 0.62 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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Protein Blocks Logo

Calculated from 30 models in PDB: 1K85, Strand ID: A Detail

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Release date

2001-11-19

Citation

Solution structure of the fibronectin type III domain from Bacillus circulans WL-12 chitinase A1
Jee, J., Ikegami, T., Hashimoto, M., Kawabata, T., Ikeguchi, M., Watanabe, T., Shirakawa, M.
J. Biol. Chem. (2002), 277, 1388-1397, PubMed 11600504 , DOI 10.1074/jbc.M109726200 , Abstract

Related entities 1. chitinase fibronectin type III domain, : 1 : 1 : 344 entities Detail