BMRB Entry 4052

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR4052
MolProbity Validation Chart

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Title:
Solution structures of Staphylococcal Nuclease from multidimensional, multinuclear NMR: nuclease-H124L and its ternary complex with Ca2+ and Thymidine-3'-5'-bisphosphate
Deposition date:
1997-08-01
Original release date:
2002-06-03
Authors:
Wang, Jinfeng; Truckses, Dagmar; Abildgaard, Frits; Dzakula, Zeljko; Zolnai, Zsolt
Citation:

Citation: Wang, Jinfeng; Truckses, Dagmar; Abildgaard, Frits; Dzakula, Zeljko; Zolnai, Zsolt. "Solution structures of Staphylococcal Nuclease from multidimensional, multinuclear NMR: nuclease-H124L and its ternary complex with Ca2+ and Thymidine-3'-5'-bisphosphate"  J. Biomol. NMR 10, 143-164 (1997).

Assembly members:

Assembly members:
staphylococcal nuclease, polymer, 149 residues, 16807 Da.

Natural source:

Natural source:   Common Name: S. aureus   Taxonomy ID: 1280   Superkingdom: Eubacteria   Kingdom: not available   Genus/species: Staphylococcus aureus

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pTSN2cc

Entity Sequences (FASTA):

Entity Sequences (FASTA):
staphylococcal nuclease: ATSTKKLHKEPATLIKAIDG DTVKLMYKGQPMTFRLLLVD TPETKHPKKGVEKYGPEASA FTKKMVENAKKIEVEFDKGQ RTDKYGRGLAYIYADGKMVN EALVRQGLAKVAYVYKPNNT HEQLLRKSEAQAKKEKLNIW SEDNADSGQ

Data sets:
Data typeCount
13C chemical shifts524
15N chemical shifts142
1H chemical shifts989

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1Staphylococcal nuclease H124L1

Entities:

Entity 1, Staphylococcal nuclease H124L 149 residues - 16807 Da.

1   ALATHRSERTHRLYSLYSLEUHISLYSGLU
2   PROALATHRLEUILELYSALAILEASPGLY
3   ASPTHRVALLYSLEUMETTYRLYSGLYGLN
4   PROMETTHRPHEARGLEULEULEUVALASP
5   THRPROGLUTHRLYSHISPROLYSLYSGLY
6   VALGLULYSTYRGLYPROGLUALASERALA
7   PHETHRLYSLYSMETVALGLUASNALALYS
8   LYSILEGLUVALGLUPHEASPLYSGLYGLN
9   ARGTHRASPLYSTYRGLYARGGLYLEUALA
10   TYRILETYRALAASPGLYLYSMETVALASN
11   GLUALALEUVALARGGLNGLYLEUALALYS
12   VALALATYRVALTYRLYSPROASNASNTHR
13   HISGLUGLNLEULEUARGLYSSERGLUALA
14   GLNALALYSLYSGLULYSLEUASNILETRP
15   SERGLUASPASNALAASPSERGLYGLN

Samples:

sample_one: staphylococcal nuclease, [U-15N], 3.5 – 5.0 mM; KCL 300 mM; D2O 10%; H2O 90%

sample_two: staphylococcal nuclease, [U-13C; U-15N], 3.5 – 5.0 mM; KCL 300 mM; D2O 10%; H2O 90%

sample_three: staphylococcal nuclease, [U-50% 2H], 3.5 – 5.0 mM; KCL 300 mM; D2O 10%; H2O 90%

sample_four: staphylococcal nuclease, [13CB; 13CG1]-Val, 3.5 – 5.0 mM; KCL 300 mM; D2O 10%; H2O 90%

sample_five: staphylococcal nuclease, [13CG; 13CD1]-Leu, 3.5 – 5.0 mM; KCL 300 mM; D2O 10%; H2O 90%

condition_1: pH: 5.1; pH*: 5.5; temperature: 318 K

Experiments:

NameSampleSample stateSample conditions
COSYnot availablenot availablenot available

Software:

No software information available

NMR spectrometers:

  • Bruker AM 500 MHz
  • Bruker AM 600 MHz

Related Database Links:

BMRB 136 1581 16585 1704 17718 18013 1874 1875 1876 1877 1878 18788 188 189 2784 2785 4010 4053
PDB
DBJ BAB41979 BAB56977 BAB94634 BAF67032 BAF77694
EMBL CAA24594 CAG39855 CAG42530 CAI80436 CAQ49298
GB AAC14660 AAW36415 ABD22328 ABD29945 ABE02272
PRF 1109959A 710414A
REF WP_000141556 WP_000141557 WP_001548082 WP_001566557 WP_001574556
SP P00644 Q5HHM4 Q6GB41 Q6GIK1 Q7A6P2
AlphaFold P00644 Q5HHM4 Q6GB41 Q6GIK1 Q7A6P2

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CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks