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Found 1 Document (1.644 seconds)

BMRB: 6829

2CZN

Chemical shift assignments for Chitin-binding Domain of Hyperthermophilic Chitinase from Pyrococcus furiosus

Authors

Uegaki, K., Ikegami, T.

Assembly

Chitin binding domain

Entity

1. Chitin binding domain (polymer, Thiol state: not present), 103 monomers, 10958.05 Da Detail

GPTTPVPVSG SLEVKVNDWG SGAEYDVTLN LDGQYDWTVK VKLAPGATVG SFWSANKQEG NGYVIFTPVS WNKGPTATFG FIVNGPQGDK VEEITLEING QVI

Formula weight

10958.05 Da

Source organism

Pyrococcus furiosus

Exptl. method

NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 92.5 %, Completeness (bb): 97.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	92.5 % (1069 of 1156)	91.4 % (540 of 591)	92.3 % (419 of 454)	99.1 % (110 of 111)
Backbone	97.5 % (589 of 604)	95.8 % (204 of 213)	98.3 % (290 of 295)	99.0 % (95 of 96)
Sidechain	88.6 % (568 of 641)	88.9 % (336 of 378)	87.5 % (217 of 248)	100.0 % (15 of 15)
Aromatic	67.0 % (75 of 112)	82.1 % (46 of 56)	48.1 % (25 of 52)	100.0 % (4 of 4)
Methyl	90.8 % (109 of 120)	88.3 % (53 of 60)	93.3 % (56 of 60)

1. Chitin binding domain

GPTTPVPVSG SLEVKVNDWG SGAEYDVTLN LDGQYDWTVK VKLAPGATVG SFWSANKQEG NGYVIFTPVS WNKGPTATFG FIVNGPQGDK VEEITLEING QVI

Show sample condition

Sample

Temperature 303 (±0.2) K

#	Name	Isotope labeling	Concentration
1	Chitin binding domain	[U-95% 13C; U-95% 15N]	1.8 (±0.2) mM
2	KH2PO4 / K2HPO4		20 mM
3	NaCl		25 mM

LACS Plot; CA

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

Referencing offset: 0.3 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: 0.3 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: -0.11 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: 1.04 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 38 models in PDB: 2CZN, Strand ID: A Detail

Release date

2006-10-16

Citation

NMR assignment of the chitin-binding domain of a hyperthermophilic chitinase from Pyrococcus furiosus
Mine, S., Nakamura, T., Hagihara, Y., Ishikawa, K., Ikegami, T., Uegaki, K.
J. Biomol. NMR (2006), 36 Suppl 1, 70-70, PubMed 17016669 , DOI 10.1007/s10858-006-9058-1 , Abstract

Related entities 1. Chitin binding domain, : 1 : 1 : 7 entities Detail

Experiments performed 16 experiments Detail

1 1H15N_HSQC

Instrument

#1 Model Bruker DRX (400 MHz)

#2 Model Bruker DRX (500 MHz)

#3 Model Bruker DRX (600 MHz)

#4 Model Bruker DRX (800 MHz)

Sample #1

Temperature 303 (±0.2) K

#	Name	Isotope labeling	Concentration
1	Chitin binding domain	[U-95% 13C; U-95% 15N]	1.8 (±0.2) mM
2	KH2PO4 / K2HPO4		20 mM
3	NaCl		25 mM

Sample #2

Temperature 303 (±0.2) K

#	Name	Isotope labeling	Concentration
4	Chitin binding domain	[U-10% 13C]	1.8 (±0.2) mM
5	KH2PO4 / K2HPO4		20 mM
6	NaCl		25 mM

2 Homonuclear TOCSY

Instrument

#1 Model Bruker DRX (400 MHz)

#2 Model Bruker DRX (500 MHz)

#3 Model Bruker DRX (600 MHz)

#4 Model Bruker DRX (800 MHz)

Sample #1

Temperature 303 (±0.2) K

#	Name	Isotope labeling	Concentration
1	Chitin binding domain	[U-95% 13C; U-95% 15N]	1.8 (±0.2) mM
2	KH2PO4 / K2HPO4		20 mM
3	NaCl		25 mM

Sample #2

Temperature 303 (±0.2) K

#	Name	Isotope labeling	Concentration
4	Chitin binding domain	[U-10% 13C]	1.8 (±0.2) mM
5	KH2PO4 / K2HPO4		20 mM
6	NaCl		25 mM

3 Homonuclear NOESY

Instrument

#1 Model Bruker DRX (400 MHz)

#2 Model Bruker DRX (500 MHz)

#3 Model Bruker DRX (600 MHz)

#4 Model Bruker DRX (800 MHz)

Sample #1

Temperature 303 (±0.2) K

#	Name	Isotope labeling	Concentration
1	Chitin binding domain	[U-95% 13C; U-95% 15N]	1.8 (±0.2) mM
2	KH2PO4 / K2HPO4		20 mM
3	NaCl		25 mM

Sample #2

Temperature 303 (±0.2) K

#	Name	Isotope labeling	Concentration
4	Chitin binding domain	[U-10% 13C]	1.8 (±0.2) mM
5	KH2PO4 / K2HPO4		20 mM
6	NaCl		25 mM

4 1H-13C CT-HSQC

Instrument

#1 Model Bruker DRX (400 MHz)

#2 Model Bruker DRX (500 MHz)

#3 Model Bruker DRX (600 MHz)

#4 Model Bruker DRX (800 MHz)

Sample #1

Temperature 303 (±0.2) K

#	Name	Isotope labeling	Concentration
1	Chitin binding domain	[U-95% 13C; U-95% 15N]	1.8 (±0.2) mM
2	KH2PO4 / K2HPO4		20 mM
3	NaCl		25 mM

Sample #2

Temperature 303 (±0.2) K

#	Name	Isotope labeling	Concentration
4	Chitin binding domain	[U-10% 13C]	1.8 (±0.2) mM
5	KH2PO4 / K2HPO4		20 mM
6	NaCl		25 mM

5 CBCACOHN

Instrument

#1 Model Bruker DRX (400 MHz)

#2 Model Bruker DRX (500 MHz)

#3 Model Bruker DRX (600 MHz)

#4 Model Bruker DRX (800 MHz)

Sample #1

Temperature 303 (±0.2) K

#	Name	Isotope labeling	Concentration
1	Chitin binding domain	[U-95% 13C; U-95% 15N]	1.8 (±0.2) mM
2	KH2PO4 / K2HPO4		20 mM
3	NaCl		25 mM

Sample #2

Temperature 303 (±0.2) K

#	Name	Isotope labeling	Concentration
4	Chitin binding domain	[U-10% 13C]	1.8 (±0.2) mM
5	KH2PO4 / K2HPO4		20 mM
6	NaCl		25 mM

6 CBCANH

Instrument

#1 Model Bruker DRX (400 MHz)

#2 Model Bruker DRX (500 MHz)

#3 Model Bruker DRX (600 MHz)

#4 Model Bruker DRX (800 MHz)

Sample #1

Temperature 303 (±0.2) K

#	Name	Isotope labeling	Concentration
1	Chitin binding domain	[U-95% 13C; U-95% 15N]	1.8 (±0.2) mM
2	KH2PO4 / K2HPO4		20 mM
3	NaCl		25 mM

Sample #2

Temperature 303 (±0.2) K

#	Name	Isotope labeling	Concentration
4	Chitin binding domain	[U-10% 13C]	1.8 (±0.2) mM
5	KH2PO4 / K2HPO4		20 mM
6	NaCl		25 mM

7 HNCO

Instrument

#1 Model Bruker DRX (400 MHz)

#2 Model Bruker DRX (500 MHz)

#3 Model Bruker DRX (600 MHz)

#4 Model Bruker DRX (800 MHz)

Sample #1

Temperature 303 (±0.2) K

#	Name	Isotope labeling	Concentration
1	Chitin binding domain	[U-95% 13C; U-95% 15N]	1.8 (±0.2) mM
2	KH2PO4 / K2HPO4		20 mM
3	NaCl		25 mM

Sample #2

Temperature 303 (±0.2) K

#	Name	Isotope labeling	Concentration
4	Chitin binding domain	[U-10% 13C]	1.8 (±0.2) mM
5	KH2PO4 / K2HPO4		20 mM
6	NaCl		25 mM

8 HNCACO

Instrument

#1 Model Bruker DRX (400 MHz)

#2 Model Bruker DRX (500 MHz)

#3 Model Bruker DRX (600 MHz)

#4 Model Bruker DRX (800 MHz)

Sample #1

Temperature 303 (±0.2) K

#	Name	Isotope labeling	Concentration
1	Chitin binding domain	[U-95% 13C; U-95% 15N]	1.8 (±0.2) mM
2	KH2PO4 / K2HPO4		20 mM
3	NaCl		25 mM

Sample #2

Temperature 303 (±0.2) K

#	Name	Isotope labeling	Concentration
4	Chitin binding domain	[U-10% 13C]	1.8 (±0.2) mM
5	KH2PO4 / K2HPO4		20 mM
6	NaCl		25 mM

9 CCONH

Instrument

#1 Model Bruker DRX (400 MHz)

#2 Model Bruker DRX (500 MHz)

#3 Model Bruker DRX (600 MHz)

#4 Model Bruker DRX (800 MHz)

Sample #1

Temperature 303 (±0.2) K

#	Name	Isotope labeling	Concentration
1	Chitin binding domain	[U-95% 13C; U-95% 15N]	1.8 (±0.2) mM
2	KH2PO4 / K2HPO4		20 mM
3	NaCl		25 mM

Sample #2

Temperature 303 (±0.2) K

#	Name	Isotope labeling	Concentration
4	Chitin binding domain	[U-10% 13C]	1.8 (±0.2) mM
5	KH2PO4 / K2HPO4		20 mM
6	NaCl		25 mM

10 HCCONH

Instrument

#1 Model Bruker DRX (400 MHz)

#2 Model Bruker DRX (500 MHz)

#3 Model Bruker DRX (600 MHz)

#4 Model Bruker DRX (800 MHz)

Sample #1

Temperature 303 (±0.2) K

#	Name	Isotope labeling	Concentration
1	Chitin binding domain	[U-95% 13C; U-95% 15N]	1.8 (±0.2) mM
2	KH2PO4 / K2HPO4		20 mM
3	NaCl		25 mM

Sample #2

Temperature 303 (±0.2) K

#	Name	Isotope labeling	Concentration
4	Chitin binding domain	[U-10% 13C]	1.8 (±0.2) mM
5	KH2PO4 / K2HPO4		20 mM
6	NaCl		25 mM

11 HBHACONH

Instrument

#1 Model Bruker DRX (400 MHz)

#2 Model Bruker DRX (500 MHz)

#3 Model Bruker DRX (600 MHz)

#4 Model Bruker DRX (800 MHz)

Sample #1

Temperature 303 (±0.2) K

#	Name	Isotope labeling	Concentration
1	Chitin binding domain	[U-95% 13C; U-95% 15N]	1.8 (±0.2) mM
2	KH2PO4 / K2HPO4		20 mM
3	NaCl		25 mM

Sample #2

Temperature 303 (±0.2) K

#	Name	Isotope labeling	Concentration
4	Chitin binding domain	[U-10% 13C]	1.8 (±0.2) mM
5	KH2PO4 / K2HPO4		20 mM
6	NaCl		25 mM

12 HCCH-TOCSY

Instrument

#1 Model Bruker DRX (400 MHz)

#2 Model Bruker DRX (500 MHz)

#3 Model Bruker DRX (600 MHz)

#4 Model Bruker DRX (800 MHz)

Sample #1

Temperature 303 (±0.2) K

#	Name	Isotope labeling	Concentration
1	Chitin binding domain	[U-95% 13C; U-95% 15N]	1.8 (±0.2) mM
2	KH2PO4 / K2HPO4		20 mM
3	NaCl		25 mM

Sample #2

Temperature 303 (±0.2) K

#	Name	Isotope labeling	Concentration
4	Chitin binding domain	[U-10% 13C]	1.8 (±0.2) mM
5	KH2PO4 / K2HPO4		20 mM
6	NaCl		25 mM

13 (HB)CB(CGCD)HD

Instrument

#1 Model Bruker DRX (400 MHz)

#2 Model Bruker DRX (500 MHz)

#3 Model Bruker DRX (600 MHz)

#4 Model Bruker DRX (800 MHz)

Sample #1

Temperature 303 (±0.2) K

#	Name	Isotope labeling	Concentration
1	Chitin binding domain	[U-95% 13C; U-95% 15N]	1.8 (±0.2) mM
2	KH2PO4 / K2HPO4		20 mM
3	NaCl		25 mM

Sample #2

Temperature 303 (±0.2) K

#	Name	Isotope labeling	Concentration
4	Chitin binding domain	[U-10% 13C]	1.8 (±0.2) mM
5	KH2PO4 / K2HPO4		20 mM
6	NaCl		25 mM

14 (HB)CB(CGCDCE)HE

Instrument

#1 Model Bruker DRX (400 MHz)

#2 Model Bruker DRX (500 MHz)

#3 Model Bruker DRX (600 MHz)

#4 Model Bruker DRX (800 MHz)

Sample #1

Temperature 303 (±0.2) K

#	Name	Isotope labeling	Concentration
1	Chitin binding domain	[U-95% 13C; U-95% 15N]	1.8 (±0.2) mM
2	KH2PO4 / K2HPO4		20 mM
3	NaCl		25 mM

Sample #2

Temperature 303 (±0.2) K

#	Name	Isotope labeling	Concentration
4	Chitin binding domain	[U-10% 13C]	1.8 (±0.2) mM
5	KH2PO4 / K2HPO4		20 mM
6	NaCl		25 mM

15 1H-15N NOESY-HSQC

Instrument

#1 Model Bruker DRX (400 MHz)

#2 Model Bruker DRX (500 MHz)

#3 Model Bruker DRX (600 MHz)

#4 Model Bruker DRX (800 MHz)

Sample #1

Temperature 303 (±0.2) K

#	Name	Isotope labeling	Concentration
1	Chitin binding domain	[U-95% 13C; U-95% 15N]	1.8 (±0.2) mM
2	KH2PO4 / K2HPO4		20 mM
3	NaCl		25 mM

Sample #2

Temperature 303 (±0.2) K

#	Name	Isotope labeling	Concentration
4	Chitin binding domain	[U-10% 13C]	1.8 (±0.2) mM
5	KH2PO4 / K2HPO4		20 mM
6	NaCl		25 mM

16 1H-13C NOESY-HSQC

Instrument

#1 Model Bruker DRX (400 MHz)

#2 Model Bruker DRX (500 MHz)

#3 Model Bruker DRX (600 MHz)

#4 Model Bruker DRX (800 MHz)

Sample #1

Temperature 303 (±0.2) K

#	Name	Isotope labeling	Concentration
1	Chitin binding domain	[U-95% 13C; U-95% 15N]	1.8 (±0.2) mM
2	KH2PO4 / K2HPO4		20 mM
3	NaCl		25 mM

Sample #2

Temperature 303 (±0.2) K

#	Name	Isotope labeling	Concentration
4	Chitin binding domain	[U-10% 13C]	1.8 (±0.2) mM
5	KH2PO4 / K2HPO4		20 mM
6	NaCl		25 mM

nullKeywords NMR, Structure, Chemical shift, NMR structure

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Found 1 Document (1.644 seconds)

BMRB: 6829

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Chitin binding domain, : 1 : 1 : 7 entities Detail

Experiments performed 16 experiments Detail

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