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BMRB: 11530

2RTS

chitin binding domain1

Authors

Assembly

chitin binding domain1

Entity

1. chitin binding domain1 (polymer, Thiol state: not present), 73 monomers, 8347.025 Da Detail

GPSTSMENLV SLQNLLVYVN WSSYPKYEPG KEYNQGDIVE YNGKLYKAKY WTTSPPSDDP YGSWEYLGEA EPT

Formula weight

8347.025 Da

Source organism

Pyrococcus furiosus

Exptl. method

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.6 %, Completeness: 90.5 %, Completeness (bb): 98.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	90.5 % (780 of 862)	89.3 % (401 of 449)	90.2 % (304 of 337)	98.7 % (75 of 76)
Backbone	98.1 % (416 of 424)	97.9 % (142 of 145)	98.1 % (209 of 213)	98.5 % (65 of 66)
Sidechain	85.3 % (431 of 505)	85.2 % (259 of 304)	84.8 % (162 of 191)	100.0 % (10 of 10)
Aromatic	62.0 % (67 of 108)	72.2 % (39 of 54)	49.0 % (25 of 51)	100.0 % (3 of 3)
Methyl	92.9 % (52 of 56)	92.9 % (26 of 28)	92.9 % (26 of 28)

1. entity

GPSTSMENLV SLQNLLVYVN WSSYPKYEPG KEYNQGDIVE YNGKLYKAKY WTTSPPSDDP YGSWEYLGEA EPT

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	MES	[U-100% 15N]	protein	1 mM
2	MES	[U-100% 13C; U-100% 15N]		1 mM
3	MES	natural abundance		1 mM
4	H2O		solvent	90 %
5	D2O		solvent	10 %

LACS Plot; CA

Referencing offset: 0.0 ppm, Outliers: 3 Detail

LACS Plot; CB

Referencing offset: 0.0 ppm, Outliers: 3 Detail

LACS Plot; HA

Referencing offset: 0.12 ppm, Outliers: 1 Detail

LACS Plot; CO

Referencing offset: 0.62 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 30 models in PDB: 2RTS, Strand ID: A Detail

Release date

2014-04-21

Citation

Solution structure of the chitin-binding domain 1 (ChBD1) of a hyperthermophilic chitinase from Pyrococcus furiosus
Mine, S., Nakamura, T., Sato, T., Ikegami, T., Uegaki, K.
J. Biochem. (2014), 155, 115-122, PubMed 24272751 , DOI 10.1093/jb/mvt104 , Abstract

Related entities 1. chitin binding domain1, : 1 : 8 entities Detail

Experiments performed 11 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	MES	[U-100% 15N]	protein	1 mM
2	MES	[U-100% 13C; U-100% 15N]		1 mM
3	MES	natural abundance		1 mM
4	H2O		solvent	90 %
5	D2O		solvent	10 %

2 3D CBCA(CO)NH

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	MES	[U-100% 15N]	protein	1 mM
2	MES	[U-100% 13C; U-100% 15N]		1 mM
3	MES	natural abundance		1 mM
4	H2O		solvent	90 %
5	D2O		solvent	10 %

3 3D HNCACB

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	MES	[U-100% 15N]	protein	1 mM
2	MES	[U-100% 13C; U-100% 15N]		1 mM
3	MES	natural abundance		1 mM
4	H2O		solvent	90 %
5	D2O		solvent	10 %

4 3D HNCO

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	MES	[U-100% 15N]	protein	1 mM
2	MES	[U-100% 13C; U-100% 15N]		1 mM
3	MES	natural abundance		1 mM
4	H2O		solvent	90 %
5	D2O		solvent	10 %

5 3D C(CO)NH

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	MES	[U-100% 15N]	protein	1 mM
2	MES	[U-100% 13C; U-100% 15N]		1 mM
3	MES	natural abundance		1 mM
4	H2O		solvent	90 %
5	D2O		solvent	10 %

6 3D HBHA(CO)NH

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	MES	[U-100% 15N]	protein	1 mM
2	MES	[U-100% 13C; U-100% 15N]		1 mM
3	MES	natural abundance		1 mM
4	H2O		solvent	90 %
5	D2O		solvent	10 %

7 3D H(CCO)NH

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	MES	[U-100% 15N]	protein	1 mM
2	MES	[U-100% 13C; U-100% 15N]		1 mM
3	MES	natural abundance		1 mM
4	H2O		solvent	90 %
5	D2O		solvent	10 %

8 2D 1H-13C HSQC

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	MES	[U-100% 15N]	protein	1 mM
2	MES	[U-100% 13C; U-100% 15N]		1 mM
3	MES	natural abundance		1 mM
4	H2O		solvent	90 %
5	D2O		solvent	10 %

9 2D 1H-1H NOESY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	MES	[U-100% 15N]	protein	1 mM
2	MES	[U-100% 13C; U-100% 15N]		1 mM
3	MES	natural abundance		1 mM
4	H2O		solvent	90 %
5	D2O		solvent	10 %

10 3D HCCH-TOCSY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	MES	[U-100% 15N]	protein	1 mM
2	MES	[U-100% 13C; U-100% 15N]		1 mM
3	MES	natural abundance		1 mM
4	H2O		solvent	90 %
5	D2O		solvent	10 %

11 3D H(CCO)NH

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	MES	[U-100% 15N]	protein	1 mM
2	MES	[U-100% 13C; U-100% 15N]		1 mM
3	MES	natural abundance		1 mM
4	H2O		solvent	90 %
5	D2O		solvent	10 %

nullKeywords cnitin binding domain