BMRB Entry 27590

Name: Assignment of pegylated E.coli asparaginase II (ANSII) by solid-state NMR
Published: 2018-11-28

Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR27590

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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:

Assignment of pegylated E.coli asparaginase II (ANSII) by solid-state NMR

Deposition date:

2018-08-24

Original release date:

2018-11-28

Authors:

Cerofolini, Linda; Giuntini, Stefano; Carlon, Azzurra; Ravera, Enrico; Calderone, Vito; Fragai, Marco; Parigi, Giacomo; Luchinat, Claudio

Citation:

Citation: Cerofolini, Linda; Giuntini, Stefano; Carlon, Azzurra; Ravera, Enrico; Calderone, Vito; Fragai, Marco; Parigi, Giacomo; Luchinat, Claudio. "Characterization of PEGylated asparaginase: new opportunities from NMR analysis of large pegylated therapeutics" Chemistry 25, 1984-1991 (2019).
PubMed: 30462348

Assembly members:

Assembly members:
ANSII, polymer, 326 residues, Formula weight is not available

Natural source:

Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET-21a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
ANSII: LPNITILATGGTIAGGGDSA TKSNYTVGKVGVENLVNAVP QLKDIANVKGEQVVNIGSQD MNDNVWLTLAKKINTDCDKT DGFVITHGTDTMEETAYFLD LTVKCDKPVVMVGAMRPSTS MSADGPFNLYNAVVTAADKA SANRGVLVVMNDTVLDGRDV TKTNTTDVATFKSVNYGPLG YIHNGKIDYQRTPARKHTSD TPFDVSKLNELPKVGIVYNY ANASDLPAKALVDAGYDGIV SAGVGNGNLYKSVFDTLATA AKTGTAVVRSSRVPTGATTQ DAEVDDAKYGFVASGTLNPQ KARVLLQLALTQTKDPQQIQ QIFNQY

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	973
15N chemical shifts	243
1H chemical shifts	189

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	ANSII, chain A	1
2	ANSII, chain B	1
3	ANSII, chain C	1
4	ANSII, chain D	1

Entities:

Entity 1, ANSII, chain A 326 residues - Formula weight is not available

1

LEU

PRO

ASN

ILE

THR

ILE

LEU

ALA

THR

GLY

2

GLY

THR

ILE

ALA

GLY

ASP

SER

ALA

3

THR

LYS

SER

ASN

TYR

THR

VAL

GLY

LYS

VAL

4

GLY

VAL

GLU

ASN

LEU

VAL

ASN

ALA

VAL

PRO

5

GLN

LEU

LYS

ASP

ILE

ALA

ASN

VAL

LYS

GLY

6

GLU

GLN

VAL

ASN

ILE

GLY

SER

GLN

ASP

7

MET

ASN

ASP

ASN

VAL

TRP

LEU

THR

LEU

ALA

8

LYS

ILE

ASN

THR

ASP

CYS

ASP

LYS

THR

9

ASP

GLY

PHE

VAL

ILE

THR

HIS

GLY

THR

ASP

10

THR

MET

GLU

THR

ALA

TYR

PHE

LEU

ASP

11

LEU

THR

VAL

LYS

CYS

ASP

LYS

PRO

VAL

12

MET

VAL

GLY

ALA

MET

ARG

PRO

SER

THR

SER

13

MET

SER

ALA

ASP

GLY

PRO

PHE

ASN

LEU

TYR

14

ASN

ALA

VAL

THR

ALA

ASP

LYS

ALA

15

SER

ALA

ASN

ARG

GLY

VAL

LEU

VAL

MET

16

ASN

ASP

THR

VAL

LEU

ASP

GLY

ARG

ASP

VAL

17

THR

LYS

THR

ASN

THR

ASP

VAL

ALA

THR

18

PHE

LYS

SER

VAL

ASN

TYR

GLY

PRO

LEU

GLY

19

TYR

ILE

HIS

ASN

GLY

LYS

ILE

ASP

TYR

GLN

20

ARG

THR

PRO

ALA

ARG

LYS

HIS

THR

SER

ASP

21

THR

PRO

PHE

ASP

VAL

SER

LYS

LEU

ASN

GLU

22

LEU

PRO

LYS

VAL

GLY

ILE

VAL

TYR

ASN

TYR

23

ALA

ASN

ALA

SER

ASP

LEU

PRO

ALA

LYS

ALA

24

LEU

VAL

ASP

ALA

GLY

TYR

ASP

GLY

ILE

VAL

25

SER

ALA

GLY

VAL

GLY

ASN

GLY

ASN

LEU

TYR

26

LYS

SER

VAL

PHE

ASP

THR

LEU

ALA

THR

ALA

27

ALA

LYS

THR

GLY

THR

ALA

VAL

ARG

SER

28

SER

ARG

VAL

PRO

THR

GLY

ALA

THR

GLN

29

ASP

ALA

GLU

VAL

ASP

ALA

LYS

TYR

GLY

30

PHE

VAL

ALA

SER

GLY

THR

LEU

ASN

PRO

GLN

31

LYS

ALA

ARG

VAL

LEU

GLN

LEU

ALA

LEU

32

THR

GLN

THR

LYS

ASP

PRO

GLN

ILE

GLN

33

GLN

ILE

PHE

ASN

GLN

TYR

Samples:

sample_1: ANSII, [U-100% 2H; U-100% 13C; U-100% 15N], 2 mg

sample_2: ANSII, [U-100% 2H; Lys U-100% 1H, U-100% 13C, U-100% 15N], 25 mg

sample_3: ANSII, [U-100% 13C, U-100% 15N], 25 mg

sample_conditions_1: ionic strength: 0 M; pH: 7.5; pressure: 1 atm; temperature: 285 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N CP-HSQC	sample_1	isotropic	sample_conditions_1
3D (H)CANH	sample_1	isotropic	sample_conditions_1
2D 13C-15N NCA	sample_2	isotropic	sample_conditions_1
2D 13C-13C DARR (100 ms)	sample_2	isotropic	sample_conditions_1
3D NCACX	sample_2	isotropic	sample_conditions_1
2D 13C-15N NCA	sample_3	isotropic	sample_conditions_1
2D 13C-13C DARR (50, 100, 200, 300, 400, 800, 1000 ms)	sample_3	isotropic	sample_conditions_1
2D 13C-15N NCO	sample_3	isotropic	sample_conditions_1
3D NCACX	sample_3	isotropic	sample_conditions_1
3D CANCO	sample_3	isotropic	sample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection, processing

CARA, Keller and Wuthrich - chemical shift assignment, data analysis

NMR spectrometers:

Bruker AvanceII wide-bore 850 MHz
Bruker AvanceIII narrow-bore 800 MHz

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