BMRB Entry 4335

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR4335

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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:

NMR Assignments, Secondary Structure and Global Fold of Calerythrin, an EF-hand Calcium-binding Protein from Saccharopolyspora erythraea.

Deposition date:

1999-04-21

Original release date:

1999-12-22

Authors:

Aitio, Helena; Annila, Arto; Heikkinen, Sami; Thulin, Eva; Drakenberg, Torbjorn; Kilpelainen, Ilkka

Citation:

Citation: Aitio, Helena; Annila, Arto; Heikkinen, Sami; Thulin, Eva; Drakenberg, Torbjorn; Kilpelainen, Ilkka. "NMR Assignments, Secondary Structure and Global Fold of Calerythrin, an EF-hand Calcium-binding Protein from Saccharopolyspora erythraea." Protein Sci. 8, 2580-2588 (1999).

Assembly members:

Assembly members:
calerythrin, polymer, 176 residues, Formula weight is not available
CALCIUM ION, non-polymer, 40.078 Da.

Natural source:

Natural source: Common Name: Streptomyces erythraeus Taxonomy ID: 1836 Superkingdom: Eubacteria Kingdom: not available Genus/species: Saccharopolyspora erythraea

Experimental source:

Experimental source: Production method: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
calerythrin: TTAIASDRLKKRFDRWDFDG NGALERADFEKEAQHIAEAF GKDAGAAEVQTLKNAFGGLF DYLAKEAGVGSDGSLTEEQF IRVTENLIFEQGEASFNRVL GPVVKGIVGMCDKNADGQIN ADEFAAWLTALGMSKAEAAE AFNQVDTNGNGELSLDELLT AVRDFHFGRLDVELLG

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts

Data type	Count
13C chemical shifts	627
15N chemical shifts	181
1H chemical shifts	991

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	calerythrin	1
2	Ca	2

Entities:

Entity 1, calerythrin 176 residues - Formula weight is not available

1

THR

ALA

ILE

ALA

SER

ASP

ARG

LEU

LYS

2

LYS

ARG

PHE

ASP

ARG

TRP

ASP

PHE

ASP

GLY

3

ASN

GLY

ALA

LEU

GLU

ARG

ALA

ASP

PHE

GLU

4

LYS

GLU

ALA

GLN

HIS

ILE

ALA

GLU

ALA

PHE

5

GLY

LYS

ASP

ALA

GLY

ALA

GLU

VAL

GLN

6

THR

LEU

LYS

ASN

ALA

PHE

GLY

LEU

PHE

7

ASP

TYR

LEU

ALA

LYS

GLU

ALA

GLY

VAL

GLY

8

SER

ASP

GLY

SER

LEU

THR

GLU

GLN

PHE

9

ILE

ARG

VAL

THR

GLU

ASN

LEU

ILE

PHE

GLU

10

GLN

GLY

GLU

ALA

SER

PHE

ASN

ARG

VAL

LEU

11

GLY

PRO

VAL

LYS

GLY

ILE

VAL

GLY

MET

12

CYS

ASP

LYS

ASN

ALA

ASP

GLY

GLN

ILE

ASN

13

ALA

ASP

GLU

PHE

ALA

TRP

LEU

THR

ALA

14

LEU

GLY

MET

SER

LYS

ALA

GLU

ALA

GLU

15

ALA

PHE

ASN

GLN

VAL

ASP

THR

ASN

GLY

ASN

16

GLY

GLU

LEU

SER

LEU

ASP

GLU

LEU

THR

17

ALA

VAL

ARG

ASP

PHE

HIS

PHE

GLY

ARG

LEU

18

ASP

VAL

GLU

LEU

GLY

Entity 2, Ca - Ca - 40.078 Da.

1

CA

Samples:

sample_one: calerythrin, [U-13C; U-15N], 1.0 mM; CaCl2 4 mM; DTT 10 mM; H2O 97%; D2O 3%

sample_conditions: pH: 6.0 na; temperature: 318 K

Experiments:

Name	Sample	Sample state	Sample conditions
HNCACB	sample_one	not available	sample_conditions
HN(CO)CACB	sample_one	not available	sample_conditions
CC(CO)NH	sample_one	not available	sample_conditions
HNCO	sample_one	not available	sample_conditions
HCCH-TOCSY	sample_one	not available	sample_conditions
[15N]-edited NOESY	sample_one	not available	sample_conditions
[15N,15N]-edited NOESY	sample_one	not available	sample_conditions
[15N,13C]-edited NOESY	sample_one	not available	sample_conditions
[15N]-edited TOCSY	sample_one	not available	sample_conditions

Software:

FELIX v97.0 -

NMR spectrometers:

Varian Unity 500 MHz
Varian Unity 600 MHz

PDB	1NYA
EMBL	CAM02479
GB	AAA26481 EQD82838
PRF	1311341A
REF	WP_009945618
SP	P06495
AlphaFold	P06495