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Found 1 Document (1.556 seconds)

BMRB: 4053

1JOO

Solution structures of Staphylococcal Nuclease from multidimensional, multinuclear NMR: nuclease-H124L and its ternary complex with Ca2+ and Thymidine-3'-5'-bisphosphate

Authors

Wang, J., Truckses, D.M., Abildgaard, F., Dzakula, Z., Zolnai, Z.

Assembly

staphylococcal nuclease

Entity

1. staphylococcal nuclease (polymer, Thiol state: not present), 149 monomers, 16787.07 Da Detail

ATSTKKLHKE PATLIKAIDG DTVKLMYKGQ PMTFRLLLVD TPETKHPKKG VEKYGPEASA FTKKMVENAK KIEVEFDKGQ RTDKYGRGLA YIYADGKMVN EALVRQGLAK VAYVYKPNNT HEQLLRKSEA QAKKEKLNIW SEDNADSGQ

2. CA (non-polymer), 40.078 Da
3. THYMIDINE-3',5'-DIPHOSPHATE (non-polymer), 402.188 Da

Total weight

17229.336 Da

Max. entity weight

16787.07 Da

Source organism

Staphylococcus aureus

Exptl. method

NMR

Refine. method

Distance, hydrogen bond and torsion angle constraints

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 96.6 %, Completeness: 86.8 %, Completeness (bb): 91.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	86.8 % (1548 of 1783)	90.3 % (849 of 940)	82.1 % (564 of 687)	86.5 % (135 of 156)
Backbone	91.6 % (808 of 882)	92.1 % (278 of 302)	91.5 % (400 of 437)	90.9 % (130 of 143)
Sidechain	83.1 % (864 of 1040)	89.5 % (571 of 638)	73.8 % (287 of 389)	46.2 % (6 of 13)
Aromatic	94.5 % (104 of 110)	98.2 % (54 of 55)	92.6 % (50 of 54)	0.0 % (0 of 1)
Methyl	94.7 % (144 of 152)	94.7 % (72 of 76)	94.7 % (72 of 76)

1. staphylococcal nuclease

ATSTKKLHKE PATLIKAIDG DTVKLMYKGQ PMTFRLLLVD TPETKHPKKG VEKYGPEASA FTKKMVENAK KIEVEFDKGQ RTDKYGRGLA YIYADGKMVN EALVRQGLAK VAYVYKPNNT HEQLLRKSEA QAKKEKLNIW SEDNADSGQ

Show sample condition

Sample

Temperature 318 K, pH 5.1

#	Name	Isotope labeling	Concentration
1	staphylococcal nuclease	[U-15N]	3.5 ~ 5.0 mM
2	THYMIDINE-3',5'-DIPHOSPHATE		3.5 ~ 5.0 mM
3	CALCIUM (II) ION		3.5 ~ 5.0 mM
4	KCL		300 mM
5	D2O		10 %
6	H2O		90 %

LACS Plot; CA

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

Referencing offset: 1.55 ppm, Outliers: 5 Detail

LACS Plot; CB

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

Referencing offset: 1.55 ppm, Outliers: 5 Detail

LACS Plot; HA

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

Referencing offset: -0.05 ppm, Outliers: 4 Detail

LACS Plot; CO

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

Referencing offset: 2.0 ppm, Outliers: 5 Detail

Protein Blocks Logo

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

Release date

1997-07-31

Citation

Solution structures of staphylococcal nuclease from multidimensional, multinuclear NMR: nuclease-H124L and its ternary complex with Ca2+ and thymidine-3',5'-bisphosphate
Wang, J., Truckses, D.M., Abildgaard, F., Dzakula, Z., Zolnai, Z.
J. Biomol. NMR (1997), 10, 143-164, PubMed 9369015 , Abstract

Related entities 1. staphylococcal nuclease, : 1 : 8 : 42 : 87 entities Detail

Experiments performed 1 experiments Detail

#	Name	Isotope labeling	Concentration
7	staphylococcal nuclease	[U-13C; U-15N]	3.5 ~ 5.0 mM
8	THYMIDINE-3',5'-DIPHOSPHATE		3.5 ~ 5.0 mM
9	CALCIUM (II) ION		3.5 ~ 5.0 mM
10	KCL		300 mM
11	D2O		10 %
12	H2O		90 %

#	Name	Isotope labeling	Concentration
13	staphylococcal nuclease	[U-50% 2H]	3.5 ~ 5.0 mM
14	THYMIDINE-3',5'-DIPHOSPHATE		3.5 ~ 5.0 mM
15	CALCIUM (II) ION		3.5 ~ 5.0 mM
16	KCL		300 mM
17	D2O		10 %
18	H2O		90 %

#	Name	Isotope labeling	Concentration
19	staphylococcal nuclease	[13CB; 13CG1]-Val	3.5 ~ 5.0 mM
20	THYMIDINE-3',5'-DIPHOSPHATE		3.5 ~ 5.0 mM
21	CALCIUM (II) ION		3.5 ~ 5.0 mM
22	KCL		300 mM
23	D2O		10 %
24	H2O		90 %

#	Name	Isotope labeling	Concentration
25	staphylococcal nuclease	[13CG; 13CD1]-Leu	3.5 ~ 5.0 mM
26	THYMIDINE-3',5'-DIPHOSPHATE		3.5 ~ 5.0 mM
27	CALCIUM (II) ION		3.5 ~ 5.0 mM
28	KCL		300 mM
29	D2O		10 %
30	H2O		90 %

nullKeywords NMR, nuclear magnetic resonance, nuclease-H124L, staphylococcal nuclease

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Found 1 Document (1.556 seconds)

BMRB: 4053

Sample

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Chemical shift reference

Chemical shift reference

Related entities 1. staphylococcal nuclease, : 1 : 8 : 42 : 87 entities Detail

Experiments performed 1 experiments Detail

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