BMRB Entry 11556

Name: Sequential backbone HN, N, Ca and Cb assignments of E.coli dihydrofolate reductase G67V mutant-folate binary complex
Published: 2015-11-23

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR11556

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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:

Sequential backbone HN, N, Ca and Cb assignments of E.coli dihydrofolate reductase G67V mutant-folate binary complex

Deposition date:

2014-03-13

Original release date:

2015-11-23

Authors:

Puthenpurackal Narayanan, Sunilkumar; Maeno, Akihiro; Wada, Yuji; Tate, Shin-ichi; Akasaka, Kazuyuki

Citation:

Citation: Puthenpurackal Narayanan, Sunilkumar; Maeno, Akihiro; Wada, Yuji; Tate, Shin-ichi; Akasaka, Kazuyuki. "Sequential backbone resonance assignments of the E. coli dihydrofolate reductase Gly67Val mutant: folate complex" Biomol. NMR Assign. ., .-. (2015).
PubMed: 26482924

Assembly members:

Assembly members:
DHFR, polymer, 159 residues, 18041.4 Da.
FOLIC ACID, non-polymer, 441.397 Da.

Natural source:

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

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pTP64-1

Entity Sequences (FASTA):

Entity Sequences (FASTA):
DHFR: MISLIAALAVDRVIGMENAM PWNLPADLAWFKRNTLNKPV IMGRHTWESIGRPLPGRKNI ILSSQPVTDDRVTWVKSVDE AIAACGDVPEIMVIGGGRVY EQFLPKAQKLYLTHIDAEVE GDTHFPDYEPDDWESVFSEF HDADAQNSHSYCFEILERR

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	292
15N chemical shifts	137
1H chemical shifts	137

Time Domain Data

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	DHFR(G67V)	1
2	Folate	2

Entities:

Entity 1, DHFR(G67V) 159 residues - 18041.4 Da.

1

MET

ILE

SER

LEU

ILE

ALA

LEU

ALA

VAL

2

ASP

ARG

VAL

ILE

GLY

MET

GLU

ASN

ALA

MET

3

PRO

TRP

ASN

LEU

PRO

ALA

ASP

LEU

ALA

TRP

4

PHE

LYS

ARG

ASN

THR

LEU

ASN

LYS

PRO

VAL

5

ILE

MET

GLY

ARG

HIS

THR

TRP

GLU

SER

ILE

6

GLY

ARG

PRO

LEU

PRO

GLY

ARG

LYS

ASN

ILE

7

ILE

LEU

SER

GLN

PRO

VAL

THR

ASP

8

ARG

VAL

THR

TRP

VAL

LYS

SER

VAL

ASP

GLU

9

ALA

ILE

ALA

CYS

GLY

ASP

VAL

PRO

GLU

10

ILE

MET

VAL

ILE

GLY

ARG

VAL

TYR

11

GLU

GLN

PHE

LEU

PRO

LYS

ALA

GLN

LYS

LEU

12

TYR

LEU

THR

HIS

ILE

ASP

ALA

GLU

VAL

GLU

13

GLY

ASP

THR

HIS

PHE

PRO

ASP

TYR

GLU

PRO

14

ASP

TRP

GLU

SER

VAL

PHE

SER

GLU

PHE

15

HIS

ASP

ALA

ASP

ALA

GLN

ASN

SER

HIS

SER

16

TYR

CYS

PHE

GLU

ILE

LEU

GLU

ARG

Entity 2, Folate - C19 H19 N7 O6 - 441.397 Da.

1

FOL

Samples:

sample_1: DHFR, [U-100% 13C; U-100% 15N], 1.2 mM; Folate 4.5 mM; D2O, [U-100% 2H], 5%; H2O 95%; DSS 0.01 mM; TRIS 0.01715 M

sample_conditions_1: ionic strength: 0.01715 M; pH: 7; pressure: 1 atm; temperature: 308 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1

Software:

CCPNMR_Analysis, CCPN - chemical shift assignment

NMR spectrometers:

Bruker DMX 600 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks