BMRB Entry 15253

Name: NMR assignments of the binary hvDHFR1:folate complex
Published: 2008-08-25

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR15253

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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 of the binary hvDHFR1:folate complex

Deposition date:

2007-05-17

Original release date:

2008-08-25

Authors:

Boroujerdi, Arezue; K., John

Citation:

Citation: Boroujerdi, Arezue; Young, John. "NMR-derived folate-bound structure of dihydrofolate reductase 1 from the halophile Haloferax volcanii" Biopolymers 91, 140-4 (2009).
PubMed: 18825778

Assembly members:

Assembly members:
hvDHFR1, polymer, 162 residues, 17965.8 Da.
FOL, non-polymer, 441.397 Da.

Natural source:

Natural source: Common Name: Haloferax volcanii Taxonomy ID: 2246 Superkingdom: Archaea Kingdom: not available Genus/species: Haloferax volcanii

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET-11d

Entity Sequences (FASTA):

Entity Sequences (FASTA):
hvDHFR1: MELVSVAALAENRVIGRDGE LPWPSIPADKKQYRSRVADD PVVLGRTTFESMRDDLPGSA QIVMSRSERSFSVDTAHRAA SVEEAVDIAASLDAETAYVI GGAAIYALFQPHLDRMVLSR VPGEYEGDTYYPEWDAAEWE LDAETDHEGFTLQEWVRSAS SR

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	553
15N chemical shifts	143
1H chemical shifts	861

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	dihydrofolate reductase	1
2	folate	2

Entities:

Entity 1, dihydrofolate reductase 162 residues - 17965.8 Da.

1

MET

GLU

LEU

VAL

SER

VAL

ALA

LEU

ALA

2

GLU

ASN

ARG

VAL

ILE

GLY

ARG

ASP

GLY

GLU

3

LEU

PRO

TRP

PRO

SER

ILE

PRO

ALA

ASP

LYS

4

LYS

GLN

TYR

ARG

SER

ARG

VAL

ALA

ASP

5

PRO

VAL

LEU

GLY

ARG

THR

PHE

GLU

6

SER

MET

ARG

ASP

LEU

PRO

GLY

SER

ALA

7

GLN

ILE

VAL

MET

SER

ARG

SER

GLU

ARG

SER

8

PHE

SER

VAL

ASP

THR

ALA

HIS

ARG

ALA

9

SER

VAL

GLU

ALA

VAL

ASP

ILE

ALA

10

SER

LEU

ASP

ALA

GLU

THR

ALA

TYR

VAL

ILE

11

GLY

ALA

ILE

TYR

ALA

LEU

PHE

GLN

12

PRO

HIS

LEU

ASP

ARG

MET

VAL

LEU

SER

ARG

13

VAL

PRO

GLY

GLU

TYR

GLU

GLY

ASP

THR

TYR

14

TYR

PRO

GLU

TRP

ASP

ALA

GLU

TRP

GLU

15

LEU

ASP

ALA

GLU

THR

ASP

HIS

GLU

GLY

PHE

16

THR

LEU

GLN

GLU

TRP

VAL

ARG

SER

ALA

SER

17

SER

ARG

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

1

FOL

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C 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
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D C(CO)NH	sample_1	isotropic	sample_conditions_1
3D H(CCO)NH	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1

PDB	1VDR 2ITH 2JYB
GB	AAA72219 ADE04659 ELK54743 ELY28035 ELZ74269
REF	WP_004043660 WP_004063628
SP	P15093
AlphaFold	P15093

BMRB Entry 15253

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers:

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