BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	79.1 % (850 of 1074)	76.5 % (410 of 536)	80.4 % (340 of 423)	87.0 % (100 of 115)
Backbone	94.9 % (590 of 622)	93.7 % (209 of 223)	94.3 % (281 of 298)	99.0 % (100 of 101)
Sidechain	63.7 % (344 of 540)	64.2 % (201 of 313)	67.1 % (143 of 213)	0.0 % (0 of 14)
Aromatic	0.7 % (1 of 138)	1.4 % (1 of 69)	0.0 % (0 of 62)	0.0 % (0 of 7)
Methyl	87.8 % (79 of 90)	77.8 % (35 of 45)	97.8 % (44 of 45)

1. Chi18aC CBD

ATSATATFAK TSDWGTGFGG SWTVKNTGTT SLSSWTVEWD FPTGTKVTSA WDATVTNSGD HWTAKNVGWN GTLAPGASVS FGFNGSGPGS PSNCKLNGGS CDGTS

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	Chi18aC_CBD	[U-15N]	protein	1.1 mM
2	potassium phosphate	natural abundance		20 mM
3	sodium azide	natural abundance		0.02 %
4	DTT	natural abundance		1 mM
5	H2O	natural abundance		90 %
6	D2O	[U-2H]		10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
7	Chi18aC_CBD	[U-13C; U-15N]	protein	0.64 mM
8	potassium phosphate	natural abundance		20 mM
9	sodium azide	natural abundance		0.02 %
10	DTT	natural abundance		1 mM
11	H2O	natural abundance		90 %
12	D2O	[U-2H]		10 %

Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
13	Chi18aC_CBD	[U-13C; U-15N]	protein	0.71 mM
14	potassium phosphate	natural abundance		20 mM
15	sodium azide	natural abundance		0.02 %
16	DTT	natural abundance		1 mM
17	D2O	[U-2H]		100 %

Sample #4

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
24	Chi18aC_CBD	natural abundance	protein	1.0 mM
25	potassium phosphate	natural abundance		20 mM
26	sodium azide	natural abundance		0.02 %
27	DTT	natural abundance		1 mM
28	H2O	natural abundance		90 %
29	D2O	[U-2H]		10 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.725 ppm	internal	indirect	0.2514495
¹H	water	protons	4.725 ppm	internal	direct	1.0
¹⁵N	water	protons	4.725 ppm	internal	indirect	0.1013291

Referencing offset: 0.11 ppm, Outliers: 7 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.725 ppm	internal	indirect	0.2514495
¹H	water	protons	4.725 ppm	internal	direct	1.0
¹⁵N	water	protons	4.725 ppm	internal	indirect	0.1013291

Referencing offset: 0.11 ppm, Outliers: 7 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.725 ppm	internal	indirect	0.2514495
¹H	water	protons	4.725 ppm	internal	direct	1.0
¹⁵N	water	protons	4.725 ppm	internal	indirect	0.1013291

Referencing offset: -0.19 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.725 ppm	internal	indirect	0.2514495
¹H	water	protons	4.725 ppm	internal	direct	1.0
¹⁵N	water	protons	4.725 ppm	internal	indirect	0.1013291

Referencing offset: 0.56 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

Release date

2014-08-24

Citation

Solution structure of the Chitin-binding domain of chitinase Chi18aC from Streptomyces coelicolor
Okumura, A., Uemura, M., Yamada, N., Chikaishi, E., Takai, T., Yoshio, S., Akagi, K., Morita, J., Lee, Y., Yokogawa, D., Suzuki, K., Watanabe, T., Ikegami, T.
Not known

Related entities 1. the chitin-binding domain of Chi18aC from Streptomyces coelicolor, : 1 : 1 : 27 entities Detail

Experiments performed 22 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker DRX - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	Chi18aC_CBD	[U-15N]	protein	1.1 mM
2	potassium phosphate	natural abundance		20 mM
3	sodium azide	natural abundance		0.02 %
4	DTT	natural abundance		1 mM
5	H2O	natural abundance		90 %
6	D2O	[U-2H]		10 %

2 2D 1H-15N HSQC

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
7	Chi18aC_CBD	[U-13C; U-15N]	protein	0.64 mM
8	potassium phosphate	natural abundance		20 mM
9	sodium azide	natural abundance		0.02 %
10	DTT	natural abundance		1 mM
11	H2O	natural abundance		90 %
12	D2O	[U-2H]		10 %

3 3D HNCACB

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
7	Chi18aC_CBD	[U-13C; U-15N]	protein	0.64 mM
8	potassium phosphate	natural abundance		20 mM
9	sodium azide	natural abundance		0.02 %
10	DTT	natural abundance		1 mM
11	H2O	natural abundance		90 %
12	D2O	[U-2H]		10 %

4 3D CBCA(CO)NH

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
7	Chi18aC_CBD	[U-13C; U-15N]	protein	0.64 mM
8	potassium phosphate	natural abundance		20 mM
9	sodium azide	natural abundance		0.02 %
10	DTT	natural abundance		1 mM
11	H2O	natural abundance		90 %
12	D2O	[U-2H]		10 %

5 3D HNCO

Instrument

Bruker DRX - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
7	Chi18aC_CBD	[U-13C; U-15N]	protein	0.64 mM
8	potassium phosphate	natural abundance		20 mM
9	sodium azide	natural abundance		0.02 %
10	DTT	natural abundance		1 mM
11	H2O	natural abundance		90 %
12	D2O	[U-2H]		10 %

6 3D HN(CA)CO

Instrument

Bruker DRX - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
7	Chi18aC_CBD	[U-13C; U-15N]	protein	0.64 mM
8	potassium phosphate	natural abundance		20 mM
9	sodium azide	natural abundance		0.02 %
10	DTT	natural abundance		1 mM
11	H2O	natural abundance		90 %
12	D2O	[U-2H]		10 %

7 3D HBHA(CO)NH

Instrument

Bruker DRX - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
7	Chi18aC_CBD	[U-13C; U-15N]	protein	0.64 mM
8	potassium phosphate	natural abundance		20 mM
9	sodium azide	natural abundance		0.02 %
10	DTT	natural abundance		1 mM
11	H2O	natural abundance		90 %
12	D2O	[U-2H]		10 %

8 3D 1H-15N TOCSY

Instrument

Bruker DRX - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	Chi18aC_CBD	[U-15N]	protein	1.1 mM
2	potassium phosphate	natural abundance		20 mM
3	sodium azide	natural abundance		0.02 %
4	DTT	natural abundance		1 mM
5	H2O	natural abundance		90 %
6	D2O	[U-2H]		10 %

9 2D 1H-13C HSQC

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
7	Chi18aC_CBD	[U-13C; U-15N]	protein	0.64 mM
8	potassium phosphate	natural abundance		20 mM
9	sodium azide	natural abundance		0.02 %
10	DTT	natural abundance		1 mM
11	H2O	natural abundance		90 %
12	D2O	[U-2H]		10 %

10 2D 1H-15N HSQC

Instrument

Bruker DRX - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	Chi18aC_CBD	[U-15N]	protein	1.1 mM
2	potassium phosphate	natural abundance		20 mM
3	sodium azide	natural abundance		0.02 %
4	DTT	natural abundance		1 mM
5	H2O	natural abundance		90 %
6	D2O	[U-2H]		10 %

11 3D C(CO)NH

Instrument

Bruker DRX - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
7	Chi18aC_CBD	[U-13C; U-15N]	protein	0.64 mM
8	potassium phosphate	natural abundance		20 mM
9	sodium azide	natural abundance		0.02 %
10	DTT	natural abundance		1 mM
11	H2O	natural abundance		90 %
12	D2O	[U-2H]		10 %

12 3D H(CCO)NH

Instrument

Bruker DRX - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
7	Chi18aC_CBD	[U-13C; U-15N]	protein	0.64 mM
8	potassium phosphate	natural abundance		20 mM
9	sodium azide	natural abundance		0.02 %
10	DTT	natural abundance		1 mM
11	H2O	natural abundance		90 %
12	D2O	[U-2H]		10 %

13 3D 1H-15N NOESY

Instrument

Bruker DRX - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	Chi18aC_CBD	[U-15N]	protein	1.1 mM
2	potassium phosphate	natural abundance		20 mM
3	sodium azide	natural abundance		0.02 %
4	DTT	natural abundance		1 mM
5	H2O	natural abundance		90 %
6	D2O	[U-2H]		10 %

14 3D 1H-15N NOESY

Instrument

Bruker DRX - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	Chi18aC_CBD	[U-15N]	protein	1.1 mM
2	potassium phosphate	natural abundance		20 mM
3	sodium azide	natural abundance		0.02 %
4	DTT	natural abundance		1 mM
5	H2O	natural abundance		90 %
6	D2O	[U-2H]		10 %

15 2D DQF-COSY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
24	Chi18aC_CBD	natural abundance	protein	1.0 mM
25	potassium phosphate	natural abundance		20 mM
26	sodium azide	natural abundance		0.02 %
27	DTT	natural abundance		1 mM
28	H2O	natural abundance		90 %
29	D2O	[U-2H]		10 %

16 2D 1H-1H NOESY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
24	Chi18aC_CBD	natural abundance	protein	1.0 mM
25	potassium phosphate	natural abundance		20 mM
26	sodium azide	natural abundance		0.02 %
27	DTT	natural abundance		1 mM
28	H2O	natural abundance		90 %
29	D2O	[U-2H]		10 %

17 3D 1H-15N NOESY

Instrument

Bruker DRX - 500 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
13	Chi18aC_CBD	[U-13C; U-15N]	protein	0.71 mM
14	potassium phosphate	natural abundance		20 mM
15	sodium azide	natural abundance		0.02 %
16	DTT	natural abundance		1 mM
17	D2O	[U-2H]		100 %

18 3D 1H-13C NOESY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
7	Chi18aC_CBD	[U-13C; U-15N]	protein	0.64 mM
8	potassium phosphate	natural abundance		20 mM
9	sodium azide	natural abundance		0.02 %
10	DTT	natural abundance		1 mM
11	H2O	natural abundance		90 %
12	D2O	[U-2H]		10 %

19 2D 1H-15N HSQC

Instrument

Bruker DRX - 500 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
13	Chi18aC_CBD	[U-13C; U-15N]	protein	0.71 mM
14	potassium phosphate	natural abundance		20 mM
15	sodium azide	natural abundance		0.02 %
16	DTT	natural abundance		1 mM
17	D2O	[U-2H]		100 %

20 3D 1H-13C NOESY aromatic

Instrument

Bruker DRX - 500 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
13	Chi18aC_CBD	[U-13C; U-15N]	protein	0.71 mM
14	potassium phosphate	natural abundance		20 mM
15	sodium azide	natural abundance		0.02 %
16	DTT	natural abundance		1 mM
17	D2O	[U-2H]		100 %

21 4D H(CCO)NH

Instrument

Bruker DRX - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
7	Chi18aC_CBD	[U-13C; U-15N]	protein	0.64 mM
8	potassium phosphate	natural abundance		20 mM
9	sodium azide	natural abundance		0.02 %
10	DTT	natural abundance		1 mM
11	H2O	natural abundance		90 %
12	D2O	[U-2H]		10 %

22 3D HCCH-TOCSY aromatic

Instrument

Bruker Avance - 400 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
13	Chi18aC_CBD	[U-13C; U-15N]	protein	0.71 mM
14	potassium phosphate	natural abundance		20 mM
15	sodium azide	natural abundance		0.02 %
16	DTT	natural abundance		1 mM
17	D2O	[U-2H]		100 %

nullKeywords chitinase, chitin-binding domain, nmr

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BMRB: 11531

Sample #1

Sample #2

Sample #3

Sample #4

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. the chitin-binding domain of Chi18aC from Streptomyces coelicolor, : 1 : 1 : 27 entities Detail

Experiments performed 22 experiments Detail

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