BMRB Entry 17718

Name: Hydrogen Exchange in Unligated and Ligated Straphlococcal Nuclease
Published: 2012-01-24

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR17718

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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:

Hydrogen Exchange in Unligated and Ligated Straphlococcal Nuclease

Deposition date:

2011-06-17

Original release date:

2012-01-24

Authors:

Markley, John; Loh, Stewart; Prehoda, Kenneth; Wang, Jinfeng

Citation:

Citation: Markley, John; Loh, Stewart; Prehoda, Kenneth; Wang, Jinfeng. "Hydrogen exchange in unligated and ligated staphylococcal nuclease" Biochemistry 32, 11022-11028 (1993).
PubMed: 8218167

Assembly members:

Assembly members:
Staphylococcal_nuclease, polymer, 149 residues, Formula weight is not available
CA, non-polymer, 40.078 Da.
THYMIDINE-3',5'-DIPHOSPHATE, non-polymer, 402.188 Da.

Natural source:

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

Experimental source:

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

Entity Sequences (FASTA):

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

Data sets:

H_exch_rates
- H_exch_rates_1
- H_exch_rates_2

Data type	Count
H exchange rates	115

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Staphylococcal_nuclease	1
2	Calcium ion	2
3	pdTp	3

Entities:

Entity 1, Staphylococcal_nuclease 149 residues - Formula weight is not available

1

ALA

THR

SER

THR

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

VAL

ASP

5

THR

PRO

GLU

THR

LYS

HIS

PRO

LYS

GLY

6

VAL

GLU

LYS

TYR

GLY

PRO

GLU

ALA

SER

ALA

7

PHE

THR

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

GLY

LEU

ALA

10

TYR

ILE

TYR

ALA

ASP

GLY

LYS

MET

VAL

ASN

11

GLU

ALA

LEU

VAL

ARG

GLN

GLY

LEU

ALA

LYS

12

VAL

ALA

TYR

VAL

TYR

LYS

PRO

ASN

THR

13

HIS

GLU

GLN

LEU

ARG

LYS

SER

GLU

ALA

14

GLN

ALA

LYS

GLU

LYS

LEU

ASN

ILE

TRP

15

SER

GLU

ASP

ASN

ALA

ASP

SER

GLY

GLN

Entity 2, Calcium ion - Ca - 40.078 Da.

1

CA

Entity 3, pdTp - C10 H16 N2 O11 P2 - 402.188 Da.

1

THP

Samples:

sample_1: Staphylococcal_nuclease 3.0 mM; pdTp 9.0 mM; succinate-d4 50 mM; Calcium chloride 18 mM; H2O 100%

sample_conditions_1: pH: 5.5; pressure: 1 atm; temperature: 310 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D HSMQC	sample_1	isotropic	sample_conditions_1

Software:

xwinnmr vAM500, Bruker - chemical shift assignment

NMR spectrometers:

Bruker AM 500 MHz