BMRB Entry 4167

Name: Backbone H, CA, N chemical shift assignments for C2A/Ca2+/6PS ternary complex
Published: 2000-03-27

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR4167

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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:

Backbone H, CA, N chemical shift assignments for C2A/Ca2+/6PS ternary complex

Deposition date:

1998-07-21

Original release date:

2000-03-27

Authors:

Chae, Young; Markley, John

Citation:

Citation: Chae, Young; Markley, John. "Lipid-induced Local Conformational Changes in the C2A-domain of Synaptotagmin I as Revealed by NMR Spectroscopy" J. Biol. Chem. 273, 25659-25663 (1998).

Assembly members:

Assembly members:
C2A domain of synaptotagmin I, polymer, 128 residues, Formula weight is not available
CALCIUM ION, non-polymer, 40.078 Da.
., non-polymer, Formula weight is not available

Natural source:

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

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
C2A domain of synaptotagmin I: EKLGKLQYSLDYDFQNNQLL VGIIQAAELPALDMGGTSDP YVKVFLLPEKKKKFETKVHR KTLNPVFNEQFTFKVPYSEL GGKTLVMAVYDFDRFSKHDI IGEFKVPMNTVDFGHVTEEW RDLQSAEK

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_one

Data type	Count
13C chemical shifts	128
1H chemical shifts	121
15N chemical shifts	121

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	C2A-SynI	1
2	entity_CA	2
3	6PS	3

Entities:

Entity 1, C2A-SynI 128 residues - Formula weight is not available

1

GLU

LYS

LEU

GLY

LYS

LEU

GLN

TYR

SER

LEU

2

ASP

TYR

ASP

PHE

GLN

ASN

GLN

LEU

3

VAL

GLY

ILE

GLN

ALA

GLU

LEU

PRO

4

ALA

LEU

ASP

MET

GLY

THR

SER

ASP

PRO

5

TYR

VAL

LYS

VAL

PHE

LEU

PRO

GLU

LYS

6

LYS

PHE

GLU

THR

LYS

VAL

HIS

ARG

7

LYS

THR

LEU

ASN

PRO

VAL

PHE

ASN

GLU

GLN

8

PHE

THR

PHE

LYS

VAL

PRO

TYR

SER

GLU

LEU

9

GLY

LYS

THR

LEU

VAL

MET

ALA

VAL

TYR

10

ASP

PHE

ASP

ARG

PHE

SER

LYS

HIS

ASP

ILE

11

ILE

GLY

GLU

PHE

LYS

VAL

PRO

MET

ASN

THR

12

VAL

ASP

PHE

GLY

HIS

VAL

THR

GLU

TRP

13

ARG

ASP

LEU

GLN

SER

ALA

GLU

LYS

Entity 2, entity_CA - Ca - 40.078 Da.

1

CA

Entity 3, 6PS 1 residues - . - Formula weight is not available

1

6PS

Samples:

sample_one: C2A domain of synaptotagmin I, [U-99% 13C; U-99% 15N], 1.0 mM; Calcium 5 mM; . 5 mM; Tris-HCl 50 mM; NaCl 200 mM; DSS 2 mM

sample_conditions_one: pH: 7.5; temperature: 303 K

Experiments:

Name	Sample	Sample state	Sample conditions
HNCA	sample_one	not available	sample_conditions_one
HNCOCA	sample_one	not available	sample_conditions_one

Software:

Felix 95 - 1

NMR spectrometers:

Bruker DMX 500 MHz

BMRB	15785 15952 17102 4039 4041 4166
PDB	1BYN 1RSY 2K45 2K4A 2K8M 2KI6 3F00 3F01 3F04 3F05
GB	AAK15077 ELW70522 EPY85163 KFO26677
REF	XP_005976391