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BMRB: 11592

2RVA

Solution structure of chitosan-binding module 2 derived from chitosanase/glucanase from Paenibacillus sp. IK-5

Authors

Shinya, S., Nishimura, S., Fukamizo, T.

Assembly

chitosan-binding module 2

Entity

1. chitosan-binding module 2 (polymer, Thiol state: not present), 131 monomers, 14072.09 Da Detail

NLALNKATAT SSIETAGHEG DKAVDGNAAT RWASAYGASP QWIYINLGST QSISRVKLNW EDAYATAYSI QVSNDSGSTP TNWTTVYSTT TGDGAIDDIT FAATNAKFVR VYATTRATAY GYSLWEFEVY G

Formula weight

14072.09 Da

Source organism

Paenibacillus

Exptl. method

solution NMR

Refine. method

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 81.4 %, Completeness (bb): 98.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	81.4 % (1151 of 1414)	77.1 % (546 of 708)	83.6 % (469 of 561)	93.8 % (136 of 145)
Backbone	98.2 % (768 of 782)	97.4 % (263 of 270)	99.0 % (379 of 383)	97.7 % (126 of 129)
Sidechain	66.8 % (503 of 753)	64.6 % (283 of 438)	70.2 % (210 of 299)	62.5 % (10 of 16)
Aromatic	39.2 % (65 of 166)	42.2 % (35 of 83)	33.3 % (26 of 78)	80.0 % (4 of 5)
Methyl	88.2 % (134 of 152)	88.2 % (67 of 76)	88.2 % (67 of 76)

1. DD2

NLALNKATAT SSIETAGHEG DKAVDGNAAT RWASAYGASP QWIYINLGST QSISRVKLNW EDAYATAYSI QVSNDSGSTP TNWTTVYSTT TGDGAIDDIT FAATNAKFVR VYATTRATAY GYSLWEFEVY G

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	DD2	[U-95% 13C; U-95% 15N]	protein	0.4 mM
2	TRIS	natural abundance	buffer	10 mM
3	H2O	natural abundance	solvent	90 %
4	D2O	[U-2H]	solvent	10 %

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 300 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
5	DD2	[U-95% 13C; U-95% 15N]	protein	0.4 mM
6	D2O	[U-2H]	solvent	100 %

LACS Plot; CA

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

Referencing offset: 0.41 ppm, Outliers: 4 Detail

LACS Plot; CB

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

Referencing offset: 0.41 ppm, Outliers: 4 Detail

LACS Plot; HA

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

Referencing offset: -0.04 ppm, Outliers: 5 Detail

LACS Plot; CO

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

Referencing offset: 0.75 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 2RVA, Strand ID: A Detail

Release date

2016-04-03

Citation

Mechanism of chitosan recognition by CBM32 carbohydrate-binding modules from a Paenibacillus sp. IK-5 chitosanase/glucanase
Shinya, S., Nishimura, S., Kitaoku, Y., Ohnuma, T., Numata, T., Kimoto, H., Kusaoke, H., Fukamizo, T.
Biochem. J. (2016), 473, 1085-1095, PubMed 26936968 , DOI 10.1042/BCJ20160045 , Abstract

Related entities 1. chitosan-binding module 2, : 1 : 2 : 35 entities Detail

Experiments performed 10 experiments Detail

1 2D 1H-15N HSQC