BMRB Entry 5059

Name: Chemical shift assignments for EC005 from E. coli
Published: 2002-08-22

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PDB ID: 1je3
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR5059
MolProbity Validation Chart

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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:

Chemical shift assignments for EC005 from E. coli

Deposition date:

2001-06-15

Original release date:

2002-08-22

Authors:

Yee, Adelinda; Chang, X.; Pineda_Lucena, A.; Wu, B.; Semesi, A.; Le, B.; Ramelot, T.; Lee, G.; Bhattacharyya, S.; Gutierrez, P.; Denisov, A.; Lee, C.; Cort, J.; Kozlov, G.; Liao, J.; Finak, G.; Chen, L.; Wishart, D.; Lee, W.; McIntosh, L.; Gehring, Kalle; Kennedy, M.; Edwards, A.; Arrowsmith, Cheryl

Citation:

Citation: Yee, Adelinda; Chang, X.; Pineda_Lucena, A.; Wu, B.; Semesi, A.; Le, B.; Ramelot, T.; Lee, G.; Bhattacharyya, S.; Gutierrez, P.; Denisov, A.; Lee, C.; Cort, J.; Kozlov, G.; Liao, J.; Finak, G.; Chen, L.; Wishart, D.; Lee, W.; McIntosh, L.; Gehring, Kalle; Kennedy, M.; Edwards, A.; Arrowsmith, Cheryl. "An NMR Approach to Stuctural Proteomics" Proc. Natl. Acad. Sci. U.S.A. 99, 1825-1830 (2002).
PubMed: 11854485

Assembly members:

Assembly members:
EC005, polymer, 97 residues, 10802.3 Da.

Natural source:

Natural source: Common Name: Escherichia coli Taxonomy ID: 562 Superkingdom: Eubacteria Kingdom: not available Genus/species: Escherichia coli

Experimental source:

Experimental source: Production method: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
EC005: MGSSHHHHHHSSGLVPRGSH MKNIVPDYRLDMVGEPCPYP AVATLEAMPQLKKGEILEVV SDCPQSINNIPLDARNHGYT VLDIQQDGPTIRYLIQK

Data sets:

assigned_chemical_shifts
- shifts_set_1

Data type	Count
1H chemical shifts	350
13C chemical shifts	126
15N chemical shifts	59

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	EC005	1

Entities:

Entity 1, EC005 97 residues - 10802.3 Da.

1

MET

GLY

SER

HIS

2

SER

GLY

LEU

VAL

PRO

ARG

GLY

SER

HIS

3

MET

LYS

ASN

ILE

VAL

PRO

ASP

TYR

ARG

LEU

4

ASP

MET

VAL

GLY

GLU

PRO

CYS

PRO

TYR

PRO

5

ALA

VAL

ALA

THR

LEU

GLU

ALA

MET

PRO

GLN

6

LEU

LYS

GLY

GLU

ILE

LEU

GLU

VAL

7

SER

ASP

CYS

PRO

GLN

SER

ILE

ASN

ILE

8

PRO

LEU

ASP

ALA

ARG

ASN

HIS

GLY

TYR

THR

9

VAL

LEU

ASP

ILE

GLN

ASP

GLY

PRO

THR

10

ILE

ARG

TYR

LEU

ILE

GLN

LYS

Samples:

sample_1: EC005, [U-15N], 2.0 mM; phosphate buffer 50 mM; NaCl 0.15 M; DTT 1 mM; NaN3 1 mM

sample_2: EC005, [U-15N; U-13C], 2.0 mM; phosphate buffer 50 mM; NaCl 0.15 M; DTT 1 mM; NaN3 1 mM

sample_3: EC005 2.0 mM; phosphate buffer 50 mM; NaCl 0.15 M; DTT 1 mM; NaN3 1 mM

Ex-cond_1: pH: 7.5; temperature: 310 K; ionic strength: 0.3 M

Experiments:

Name	Sample	Sample state	Sample conditions
1H-15N TOCSY	not available	not available	Ex-cond_1
1H-15N NOESY	not available	not available	Ex-cond_1
1H-13C TOCSY	not available	not available	Ex-cond_1
1H-13C NOESY	not available	not available	Ex-cond_1
HNCACB	not available	not available	Ex-cond_1
CBCA(CO)NH	not available	not available	Ex-cond_1

Software:

XWINNMR v2.1 - collection of data

GIFA v4.31 - data processing

XEASY v1.3.13 - data analysis

NMR spectrometers:

Bruker DRX 500 MHz

PDB	1JE3
DBJ	BAA15758 BAB36092 BAG77685 BAI26061 BAI30978
EMBL	CAD05714 CAP76412 CAQ88691 CAQ98867 CAR03284
GB	AAA71973 AAA82578 AAC74997 AAG56945 AAL20878
PIR	AG0751
REF	NP_288391 NP_310696 NP_416440 NP_456527 NP_460919
SP	P0AA31 P0AA32 P0AA33 P0AA34 P0AA35
AlphaFold	P0AA31 P0AA32 P0AA33 P0AA34 P0AA35