BMRB Entry 17582

Name: 1H, 13C, and 15N assignments of cataract-related variant gamma-S-G18V crystallin
Published: 2011-05-12

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PDB ID: 2m3u
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR17582
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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

1H, 13C, and 15N assignments of cataract-related variant gamma-S-G18V crystallin

Deposition date:

2011-04-08

Original release date:

2011-05-12

Authors:

Brubaker, William; Martin, Rachel

Citation:

Citation: Brubaker, William; Freites, J. Alfredo; Golchert, Kory; Shapiro, Rebecca; Morikis, Vasilios; Tobias, Douglas; Martin, Rachel. "Separating instability from aggregation propensity in S-crystallin variants." Biophys. J. 100, 498-506 (2011).
PubMed: 21244846

Assembly members:

Assembly members:
gamma-S-G18V, polymer, 178 residues, 20974.6 Da.

Natural source:

Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET28a(+)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
gamma-S-G18V: GSKTGTKITFYEDKNFQVRR YDCDCDCADFHTYLSRCNSI KVEGGTWAVYERPNFAGYMY ILPQGEYPEYQRWMGLNDRL SSCRAVHLPSGGQYKIQIFE KGDFSGQMYETTEDCPSIME QFHMREIHSCKVLEGVWIFY ELPNYRGRQYLLDKKEYRKP IDWGAASPAVQSFRRIVE

Data sets:

assigned_chemical_shifts
- g18v_assignments_primary
- g18v_assignments_secondary

Data type	Count
13C chemical shifts	718
15N chemical shifts	191
1H chemical shifts	1092

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	gamma-S-G18V	1

Entities:

Entity 1, gamma-S-G18V 178 residues - 20974.6 Da.

Full length human gamma-S crystallin containing the G18V substitution, and an M1G substitution.

1

GLY

SER

LYS

THR

GLY

THR

LYS

ILE

THR

PHE

2

TYR

GLU

ASP

LYS

ASN

PHE

GLN

VAL

ARG

3

TYR

ASP

CYS

ASP

CYS

ASP

CYS

ALA

ASP

PHE

4

HIS

THR

TYR

LEU

SER

ARG

CYS

ASN

SER

ILE

5

LYS

VAL

GLU

GLY

THR

TRP

ALA

VAL

TYR

6

GLU

ARG

PRO

ASN

PHE

ALA

GLY

TYR

MET

TYR

7

ILE

LEU

PRO

GLN

GLY

GLU

TYR

PRO

GLU

TYR

8

GLN

ARG

TRP

MET

GLY

LEU

ASN

ASP

ARG

LEU

9

SER

CYS

ARG

ALA

VAL

HIS

LEU

PRO

SER

10

GLY

GLN

TYR

LYS

ILE

GLN

ILE

PHE

GLU

11

LYS

GLY

ASP

PHE

SER

GLY

GLN

MET

TYR

GLU

12

THR

GLU

ASP

CYS

PRO

SER

ILE

MET

GLU

13

GLN

PHE

HIS

MET

ARG

GLU

ILE

HIS

SER

CYS

14

LYS

VAL

LEU

GLU

GLY

VAL

TRP

ILE

PHE

TYR

15

GLU

LEU

PRO

ASN

TYR

ARG

GLY

ARG

GLN

TYR

16

LEU

ASP

LYS

GLU

TYR

ARG

LYS

PRO

17

ILE

ASP

TRP

GLY

ALA

SER

PRO

ALA

VAL

18

GLN

SER

PHE

ARG

ILE

VAL

GLU

Samples:

gS-G18V: gamma-S-G18V, [U-100% 13C; U-100% 15N], 1.50 mM; acetic acid 10 mM; sodium azide 0.05%; D2O, [U-2H], 10%; TSP, [2,2,3,3-d4], 2 mM

sample_conditions_1: pH: 4.5; pressure: 1 atm; temperature: 273 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	gS-G18V	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	gS-G18V	isotropic	sample_conditions_1
2D 1H-13C HSQC aromatic	gS-G18V	isotropic	sample_conditions_1
3D HNCO	gS-G18V	isotropic	sample_conditions_1
3D HNCACB	gS-G18V	isotropic	sample_conditions_1
3D CBCA(CO)NH	gS-G18V	isotropic	sample_conditions_1
3D HCCH-COSY	gS-G18V	isotropic	sample_conditions_1
3D HCCH-TOCSY	gS-G18V	isotropic	sample_conditions_1
3D 1H-15N NOESY	gS-G18V	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	gS-G18V	isotropic	sample_conditions_1
3D 1H-13C NOESY aromatic	gS-G18V	isotropic	sample_conditions_1

Software:

VNMR, Varian - collection

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

SPARKY, Goddard - chemical shift assignment, data analysis, peak picking

NMR spectrometers:

Varian INOVA 800 MHz

BMRB	17576
PDB	2M3T 2M3U
DBJ	BAG36855
GB	AAD45901 AAF72490 AAH69478 AAH70241 ADQ32938
REF	NP_060011 XP_001092090 XP_002758251 XP_003256655 XP_003894751
SP	P22914
AlphaFold	P22914