Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR54032

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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:

Assignments for the WT Doc2B C2A domain (aa125-255)

Deposition date:

2026-09-23

Original release date:

2026-11-03

Authors:

Rastegar, Cyrus; Powell, Julia; Rizo, Josep

Citation:

Citation: Rastegar, Cyrus; Powell, Julia; Wosztyl, Aleksandra; David, Guillaume; Jaczynska, Klaudia; Bai, Xiao-chen; Han, Yan; Chen, Zhe; Rizo, Josep. "Cryo-EM and NMR Reveal a Membrane-Gated Doc2B-Munc13-1 Complex and a Helical Doc2B-SNARE-Binding Interface " Adv. Sci. (Weinh) ., e78011-e78011 (2026).
PubMed: 42973246

Assembly members:

Assembly members:
entity_1, polymer, 133 residues, 15098.37 Da.

Natural source:

Natural source: Common Name: Rat Taxonomy ID: 10116 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Rattus norvegicus

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GSTALGTLDFSLLYDQENNA LHCTISKAKGLKPMDHNGLA DPYVKLHLLPGASKANKLRT KTLRNTLNPSWNETLTYYGI TDEDMIRKTLRISVCDEDKF RHNEFIGETRVPLKKLKPNH TKTFSICLEKQLP

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	345
15N chemical shifts	112
1H chemical shifts	112

Time Domain Data

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	C2A	1

Entities:

Entity 1, C2A 133 residues - 15098.37 Da.

Doc2B C2A Domain (aa125-255) from Rattus norvegicus; Contains an N-terminal Gly-Ser leftover from thrombin cleavage.

1

GLY

SER

THR

ALA

LEU

GLY

THR

LEU

ASP

PHE

2

SER

LEU

TYR

ASP

GLN

GLU

ASN

ALA

3

LEU

HIS

CYS

THR

ILE

SER

LYS

ALA

LYS

GLY

4

LEU

LYS

PRO

MET

ASP

HIS

ASN

GLY

LEU

ALA

5

ASP

PRO

TYR

VAL

LYS

LEU

HIS

LEU

PRO

6

GLY

ALA

SER

LYS

ALA

ASN

LYS

LEU

ARG

THR

7

LYS

THR

LEU

ARG

ASN

THR

LEU

ASN

PRO

SER

8

TRP

ASN

GLU

THR

LEU

THR

TYR

GLY

ILE

9

THR

ASP

GLU

ASP

MET

ILE

ARG

LYS

THR

LEU

10

ARG

ILE

SER

VAL

CYS

ASP

GLU

ASP

LYS

PHE

11

ARG

HIS

ASN

GLU

PHE

ILE

GLY

GLU

THR

ARG

12

VAL

PRO

LEU

LYS

LEU

LYS

PRO

ASN

HIS

13

THR

LYS

THR

PHE

SER

ILE

CYS

LEU

GLU

LYS

14

GLN

LEU

PRO

Samples:

sample_1: Double C2-like domain-containing protein beta (Doc2B) C2A domain, [U-99% 13C; U-99% 15N], 400 uM; HEPES 20 mM; potassium chloride 100 mM; EDTA 1 mM; TCEP 1 mM; Aprotinin 800 nM; Leupeptin 20 uM; Antipain 1 uM

sample_conditions_1: ionic strength: 120 mM; pH: 7.4; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
1D 1H	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D CBCACONH	sample_1	isotropic	sample_conditions_1
3D C(CO)NH	sample_1	isotropic	sample_conditions_1
3D H(CCO)NH	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1

Software:

NMRFx Analyst v11.4.40 - data analysis

NMRViewJ v8.0.a15 - data analysis, peak picking, processing

NMRDraw v5.2 Rev 2010.108.19.28 - processing

VNMRj v4.2 Revision A - collection

NMR spectrometers:

Agilent DD2 600 MHz

BMRB Entry 54032