BMRB Entry 5156

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR5156

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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:

Partial assignment of the calcium-bound calretinin I-II domain (residues 1-100): 1H, 13C and 15N backbone assignments (and partial sidechain assignment) for structured elements

Deposition date:

2001-09-23

Original release date:

2002-01-25

Authors:

Palczewska, Malgorzata; Groves, Patrick; Ambrus, Attila; Kaleta, Agata; Kover, Katalin; Batta, Gyula; Kuznicki, Jacek

Citation:

Citation: Palczewska, Malgorzata; Groves, Patrick; Ambrus, Attila; Kaleta, Agata; Kover, Katalin; Batta, Gyula; Kuznicki, Jacek. "Structural and Biochemical Characterization of Neuronal Calretinin Domain I-II (residues 1-100). Comparison to Homologous Calbindin D28k Domain I-II (residues 1-93)" Eur. J. Biochem. 268, 6229-6237 (2001).
PubMed: 11733019

Assembly members:

Assembly members:
calretinin, polymer, 104 residues, 12500 Da.
CA, non-polymer, 40.078 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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
calretinin: YVEFMAGPQQQPPYLHLAEL TASQFLEIWKHFDADGNGYI EGKELENFFQELEKARKGSG MMSKSDNFGEKMKEFMQKYD KNSDGKIEMAELAQILPTEE NFLL

Data sets:

assigned_chemical_shifts
- shift_set_1
- shift_set_2

Data type	Count
1H chemical shifts	533
13C chemical shifts	495
15N chemical shifts	151

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	calretinin I-II domain	1
2	calcium ion, I	2
3	calcium ion, II	2

Entities:

Entity 1, calretinin I-II domain 104 residues - 12500 Da.

1

TYR

VAL

GLU

PHE

MET

ALA

GLY

PRO

GLN

2

GLN

PRO

TYR

LEU

HIS

LEU

ALA

GLU

LEU

3

THR

ALA

SER

GLN

PHE

LEU

GLU

ILE

TRP

LYS

4

HIS

PHE

ASP

ALA

ASP

GLY

ASN

GLY

TYR

ILE

5

GLU

GLY

LYS

GLU

LEU

GLU

ASN

PHE

GLN

6

GLU

LEU

GLU

LYS

ALA

ARG

LYS

GLY

SER

GLY

7

MET

SER

LYS

SER

ASP

ASN

PHE

GLY

GLU

8

LYS

MET

LYS

GLU

PHE

MET

GLN

LYS

TYR

ASP

9

LYS

ASN

SER

ASP

GLY

LYS

ILE

GLU

MET

ALA

10

GLU

LEU

ALA

GLN

ILE

LEU

PRO

THR

GLU

11

ASN

PHE

LEU

Entity 2, calcium ion, I - Ca - 40.078 Da.

1

CA

Samples:

sample_1: calretinin, [U-15N], 1 mM; TRIS, [U-2H], 50 mM; NaCl 25 mM; CaCl2 10 mM

sample_2: calretinin, [U-13C; U-15N], 1 mM; TRIS, [U-2H], 50 mM; NaCl 25 mM; CaCl2 10 mM

sample_cond_1: pH: 7.7; temperature: 303 K

sample_cond_2: pH: 6.7; temperature: 303 K

Experiments:

Name	Sample	Sample state	Sample conditions
(Acq. points / acq. time nucleus Size of processed data (LP/ linear prediction))	not available	not available	not available
experiment Dimension 1 Dimension 2 Dimension 3 Bruker pulse program	not available	not available	not available
1H -15N HSQC (128 / 90.2 ms 15N 192 LP /512) (512/ 102 ms 1H/1024)	not available	not available	not available
invieagssi[ref-2; ref-3; ref-4];	not available	not available	not available
HNCO (48 / 21.2 ms 13C 72 LP / 128) (34 / 24 ms 15N 52 LP / 128)	not available	not available	not available
(1024 / 79 ms 1H 1024) hncogs3d.2[ref-5; ref-6];	not available	not available	not available
HN(CA)CO (48 / 21.2 ms 13C 72 LP / 128) (34 / 24 ms 15N 52 LP / 128)	not available	not available	not available
(1024 / 79 ms 1H 1024) hncacogs3d[ref-7; ref-8];	not available	not available	not available
HNCA (128 / 25.4 ms 13C 128) (34 / 24 ms 15N 52 LP / 128)	not available	not available	not available
(1024 / 79 ms 1H 1024) hncags3d.2[ref-5];	not available	not available	not available
HN(CO)CA (84 / 59.3 ms 15N 128) (64 / 12.7 ms 13C 96 LP / 128)	not available	not available	not available
(1024 / 79 ms 1H 1024) [ref-9];	not available	not available	not available
HNCACB (64 / 7.27 ms 13C 96 LP / 128) (34 / 24 ms 15N 52 LP / 128)	not available	not available	not available
(1024 / 79 ms 1H 1024) hncacbgs3d[ref-10; ref-11];	not available	not available	not available
CBCANH (52 / 5.91 ms 13C 96 LP / 128) (34 / 24 ms 15N 52 LP / 128)	not available	not available	not available
(1024 / 79 ms 1H 1024) cbcanhgs3d[ref-10; ref-12; ref-13];	not available	not available	not available
CBCA(CO)NH (84 / 59.2 ms 15N 100 LP / 128) (70 / 7.95 ms 13C 100 LP / 128)	not available	not available	not available
HBHA(CO)NH (76 / 53.5 ms 15N 100 LP / 128) (100 / 30.6 ms 1H 150 LP/ 256)	not available	not available	not available
HNHA (64 / 45.1 ms 15N 100 LP / 128) (128 / 19.7 ms 1H 192 LP / 256)	not available	not available	not available
(1024 / 79 ms 1H 1024) [ref-14];	not available	not available	not available
(H)CC(CO)NH (84 / 59.2 ms 15N 100 LP / 128) (62 / 7.04 ms 13C 90 LP / 128)	not available	not available	not available
H(CC)(CO)NH (76 / 53.5 ms 15N 100 LP / 128) (66 / 18.8 ms 1H 96 LP / 128)	not available	not available	not available
NOESY-HSQC 15N and 13C (104 / 16 ms 1H 128 LP / 256)	not available	not available	not available
(64 / 7.04 ms 13C 90 LP / 128) (1024 / 79 ms 1H 1024)	not available	not available	not available
noesiisism3d[ref-15];	not available	not available	not available
NOESY-HSQC 15N (104 / 16 ms 1H 128 LP / 256) (64 / 45.1 ms 15N 100 LP / 128)	not available	not available	not available
(512 / 102 ms 1H 1024) noesiietf3gsrdf[ref-5].	not available	not available	not available

Software:

No software information available

NMR spectrometers:

Bruker DRX 500 MHz

EMBL	CAA39992
GB	EDL92533
REF	XP_002802612 XP_004782213 XP_006742579 XP_008519580 XP_009429507