BMRBj - BMREntryMaster

Found 1 Document (1.564 seconds)

BMRB: 4052

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

Formula 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: 84.1 %, Completeness (bb): 89.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	84.1 % (1500 of 1783)	89.4 % (840 of 940)	75.8 % (521 of 687)	89.1 % (139 of 156)
Backbone	89.9 % (793 of 882)	90.4 % (273 of 302)	88.3 % (386 of 437)	93.7 % (134 of 143)
Sidechain	79.1 % (823 of 1040)	88.9 % (567 of 638)	64.5 % (251 of 389)	38.5 % (5 of 13)
Aromatic	96.4 % (106 of 110)	98.2 % (54 of 55)	96.3 % (52 of 54)	0.0 % (0 of 1)
Methyl	90.8 % (138 of 152)	93.4 % (71 of 76)	88.2 % (67 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	KCL		300 mM
3	D2O		10 %
4	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: 1.48 ppm, Outliers: 4 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: 1.48 ppm, Outliers: 4 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: -0.06 ppm, Outliers: 2 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: 2.01 ppm, Outliers: 2 Detail

Protein Blocks Logo

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

Release date

2002-06-02

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 , DOI: , Abstract

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

Experiments performed 1 experiments Detail

#	Name	Isotope labeling	Concentration
5	staphylococcal nuclease	[U-13C; U-15N]	3.5 ~ 5.0 mM
6	KCL		300 mM
7	D2O		10 %
8	H2O		90 %

#	Name	Isotope labeling	Concentration
9	staphylococcal nuclease	[U-50% 2H]	3.5 ~ 5.0 mM
10	KCL		300 mM
11	D2O		10 %
12	H2O		90 %

#	Name	Isotope labeling	Concentration
13	staphylococcal nuclease	[13CB; 13CG1]-Val	3.5 ~ 5.0 mM
14	KCL		300 mM
15	D2O		10 %
16	H2O		90 %

#	Name	Isotope labeling	Concentration
17	staphylococcal nuclease	[13CG; 13CD1]-Leu	3.5 ~ 5.0 mM
18	KCL		300 mM
19	D2O		10 %
20	H2O		90 %

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

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Found 1 Document (1.564 seconds)

BMRB: 4052

Sample

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Chemical shift reference

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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