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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: 97.3 %, Completeness: 83.3 %, Completeness (bb): 89.0 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All83.3 % (1489 of 1788)89.1 % (838 of 940)74.2 % (510 of 687)87.6 % (141 of 161)
Backbone89.0 % (776 of 872)90.4 % (264 of 292)86.3 % (377 of 437)94.4 % (135 of 143)
Sidechain77.0 % (812 of 1055)87.0 % (564 of 648)62.5 % (243 of 389)27.8 % (5 of 18)
Aromatic96.4 % (106 of 110)98.2 % (54 of 55)96.3 % (52 of 54) 0.0 % (0 of 1)
Methyl89.5 % (136 of 152)93.4 % (71 of 76)85.5 % (65 of 76)

1. staphylococcal nuclease

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

Sample

Temperature 318 K, pH 5.1


#NameIsotope labelingTypeConcentration
1staphylococcal nuclease[U-15N]3.5 ~ 5.0 mM
2KCL300 mM
3D2O10 %
4H2O90 %

LACS Plot; CA
Referencing offset: 1.48 ppm, Outliers: 4 Detail
LACS Plot; CB
Referencing offset: 1.48 ppm, Outliers: 4 Detail
LACS Plot; HA
Referencing offset: -0.06 ppm, Outliers: 2 Detail
LACS Plot; CO
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: ,
Related entities 1. staphylococcal nuclease, : 1 : 7 : 42 : 71 entities Detail
Experiments performed 1 experiments Detail
Keywords NMR, nuclear magnetic resonance, nuclease-H124L, staphylococcal nuclease