BMRB Entry 4905

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR4905

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

1H, 13C and 15N Chemical Shift Assignments for Urea-denatured G88W-110 Fragment of Staphylococcal Nuclease

Deposition date:

2000-11-24

Original release date:

2001-08-08

Authors:

Ye, Keqiong; Wang, Jinfeng

Citation:

Citation: Ye, Keqiong; Wang, Jinfeng. "Self-association Reaction of Denatured Staphylococcal Nuclease Fragments Characterized by Heteronuclear NMR" J. Mol. Biol. 307, 309-322 (2001).
PubMed: 11243822

Assembly members:

Assembly members:
Staphylococcal Nuclease, polymer, 110 residues, Formula weight is not available

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: pET3d

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Staphylococcal Nuclease: ATSTKKLHKEPATLIKAIDG DTVKLMYKGQPMTFRLLLVD TPETKHPKKGVEKYGPEASA FTKKMVENAKKIEVEFDKGQ RTDKYGRWLAYIYADGKMVN EALVRQGLAK

Data sets:

assigned_chemical_shifts
- shift_set_1

Data type	Count
1H chemical shifts	693
13C chemical shifts	322
15N chemical shifts	104

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	SNase G88W110 fragment	1

Entities:

Entity 1, SNase G88W110 fragment 110 residues - Formula weight is not available

1	ALA	THR	SER	THR	LYS	LYS	LEU	HIS	LYS	GLU
2	PRO	ALA	THR	LEU	ILE	LYS	ALA	ILE	ASP	GLY
3	ASP	THR	VAL	LYS	LEU	MET	TYR	LYS	GLY	GLN
4	PRO	MET	THR	PHE	ARG	LEU	LEU	LEU	VAL	ASP
5	THR	PRO	GLU	THR	LYS	HIS	PRO	LYS	LYS	GLY
6	VAL	GLU	LYS	TYR	GLY	PRO	GLU	ALA	SER	ALA
7	PHE	THR	LYS	LYS	MET	VAL	GLU	ASN	ALA	LYS
8	LYS	ILE	GLU	VAL	GLU	PHE	ASP	LYS	GLY	GLN
9	ARG	THR	ASP	LYS	TYR	GLY	ARG	TRP	LEU	ALA
10	TYR	ILE	TYR	ALA	ASP	GLY	LYS	MET	VAL	ASN
11	GLU	ALA	LEU	VAL	ARG	GLN	GLY	LEU	ALA	LYS

Samples:

sample_1: Staphylococcal Nuclease, [U-95% 13C; U-90% 15N], 2.5 mM; acetate buffer, [U-99% 2H], 50 mM; Urea 6 M; H2O 90%; D2O 10%

Ex-cond_1: pH: 4.9; temperature: 305 K; ionic strength: 0.05 M

Experiments:

Name	Sample	Sample state	Sample conditions
HNCACB	not available	not available	not available
CBCA(CO)NH	not available	not available	not available
HNCO	not available	not available	not available
HN(CA)CO	not available	not available	not available
H(CCO)NH	not available	not available	not available
3D 1H-15N TOCSY-HSQC	not available	not available	not available
3D 1H-15N NOESY-HSQC	not available	not available	not available
3D 1H-15N/1H-15N HSQC-NOESY-HSQC	not available	not available	not available
HNHA	not available	not available	not available
1H-13C CT-HSQC	not available	not available	not available

Software:

FELIX v98 -

NMR spectrometers:

Bruker DMX 600 MHz

Related Database Links:

BMRB	136 15357 1581 1582 16585 1704 17718 18013 1874 1875 1876 1877 1878 18788 188 189 2784 2785 4010 4052 4053 494 495 496 497 530 5536 6250 6251 644 6907 6908
PDB	1A2T 1A2U 1A3T 1A3U 1A3V 1AEX 1ENA 1ENC 1EQV 1EY0 1EY4 1EY5 1EY6 1EY7 1EY8 1EY9 1EYA 1EYC 1EYD 1EZ8 1F2M 1F2Y 1F2Z 1JOK 1JOO 1JOQ 1JOR 1KAA 1KAB 1KDA 1KDB 1KDC 1NSN 1NUC 1RKN 1SNC 1SND 1SNM 1SNO 1SNP 1SNQ 1STA 1STB 1STG 1STH 1STN 1STY 1SYC 1SYD 1SYE 1SYF 1SYG 1U9R 2ENB 2EXZ 2EY1 2EY2 2EY5 2EY6 2EYF 2EYH 2EYJ 2EYL 2EYM 2EYO 2EYP 2F0D 2F0E 2F0F 2F0G 2F0H 2F0I 2F0J 2F0K 2F0L 2F0M 2F0N 2F0O 2F0P 2F0Q 2F0S 2F0T 2F3V 2F3W 2KHS 2KQ3 2LKV 2M00 2NUC 2OXP 2PW5 2PW7 2PYK 2PZT 2PZU 2PZW 2RKS 2SNM 2SNS 2SOB 3D6C 3DMU 3NUC 4G57 4H7B 4ID6 4K14 4K5X 4K6D 4K8I 4K8J 4WOR 5NUC
DBJ	BAB41979 BAB56977 BAB94634 BAF67032 BAF77694
EMBL	CAA24594 CAG39855 CAG42530 CAI80436 CAQ49298
GB	AAC14660 AAW36415 ABD22328 ABD29945 ABE02272
PRF	1109959A 710414A
REF	NP_371339 NP_374001 NP_645586 WP_000141556 WP_000141557
SP	P00644 Q5HHM4 Q6GB41 Q6GIK1 Q7A6P2
AlphaFold	P00644 Q5HHM4 Q6GB41 Q6GIK1 Q7A6P2

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks

1	ALA	THR	SER	THR	LYS	LYS	LEU	HIS	LYS	GLU
2	PRO	ALA	THR	LEU	ILE	LYS	ALA	ILE	ASP	GLY
3	ASP	THR	VAL	LYS	LEU	MET	TYR	LYS	GLY	GLN
4	PRO	MET	THR	PHE	ARG	LEU	LEU	LEU	VAL	ASP
5	THR	PRO	GLU	THR	LYS	HIS	PRO	LYS	LYS	GLY
6	VAL	GLU	LYS	TYR	GLY	PRO	GLU	ALA	SER	ALA
7	PHE	THR	LYS	LYS	MET	VAL	GLU	ASN	ALA	LYS
8	LYS	ILE	GLU	VAL	GLU	PHE	ASP	LYS	GLY	GLN
9	ARG	THR	ASP	LYS	TYR	GLY	ARG	TRP	LEU	ALA
10	TYR	ILE	TYR	ALA	ASP	GLY	LYS	MET	VAL	ASN
11	GLU	ALA	LEU	VAL	ARG	GLN	GLY	LEU	ALA	LYS

1	ALA	THR	SER	THR	LYS	LYS	LEU	HIS	LYS	GLU
2	PRO	ALA	THR	LEU	ILE	LYS	ALA	ILE	ASP	GLY
3	ASP	THR	VAL	LYS	LEU	MET	TYR	LYS	GLY	GLN
4	PRO	MET	THR	PHE	ARG	LEU	LEU	LEU	VAL	ASP
5	THR	PRO	GLU	THR	LYS	HIS	PRO	LYS	LYS	GLY
6	VAL	GLU	LYS	TYR	GLY	PRO	GLU	ALA	SER	ALA
7	PHE	THR	LYS	LYS	MET	VAL	GLU	ASN	ALA	LYS
8	LYS	ILE	GLU	VAL	GLU	PHE	ASP	LYS	GLY	GLN
9	ARG	THR	ASP	LYS	TYR	GLY	ARG	TRP	LEU	ALA
10	TYR	ILE	TYR	ALA	ASP	GLY	LYS	MET	VAL	ASN
11	GLU	ALA	LEU	VAL	ARG	GLN	GLY	LEU	ALA	LYS

1	ALA	THR	SER	THR	LYS	LYS	LEU	HIS	LYS	GLU
2	PRO	ALA	THR	LEU	ILE	LYS	ALA	ILE	ASP	GLY
3	ASP	THR	VAL	LYS	LEU	MET	TYR	LYS	GLY	GLN
4	PRO	MET	THR	PHE	ARG	LEU	LEU	LEU	VAL	ASP
5	THR	PRO	GLU	THR	LYS	HIS	PRO	LYS	LYS	GLY
6	VAL	GLU	LYS	TYR	GLY	PRO	GLU	ALA	SER	ALA
7	PHE	THR	LYS	LYS	MET	VAL	GLU	ASN	ALA	LYS
8	LYS	ILE	GLU	VAL	GLU	PHE	ASP	LYS	GLY	GLN
9	ARG	THR	ASP	LYS	TYR	GLY	ARG	TRP	LEU	ALA
10	TYR	ILE	TYR	ALA	ASP	GLY	LYS	MET	VAL	ASN
11	GLU	ALA	LEU	VAL	ARG	GLN	GLY	LEU	ALA	LYS