BMRB Entry 51192

Name: Hydrogen exchange rates of human DHFR
Published: 2022-05-18

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51192

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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:

Hydrogen exchange rates of human DHFR

Deposition date:

2021-11-24

Original release date:

2022-05-18

Authors:

Wagnkilde, Morten; Teilum, Kaare

Citation:

Citation: Kampmeyer, Caroline; Larsen-Ledet, Sven; Wagnkilde, Morten; Michelsen, Mathias; Iversen, Henriette; Nielsen, Sofie; Lindemose, Soren; Caregnato, Alberto; Ravid, Tommer; Stein, Amelie; Teilum, Kaare; Lindorff-Larsen, Kresten; Hartmann-Petersen, Rasmus. "Disease-linked mutations cause exposure of a protein quality control degron" Structure 30, 1245-1253 (2022).
PubMed: 35700725

Assembly members:

Assembly members:
entity_1, polymer, . residues, Formula weight is not available
entity_FOL, non-polymer, 441.397 Da.

Natural source:

Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pSUMO_DHFR

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MVGSLNCIVAVSQNMGIGKN GDLPWPPLRNEFRYFQRMTT TSSVEGKQNLVIMGKKTWFS IPEKNRPLKGRINLVLSREL KEPPQGAHFLSRSLDDALKL TEQPELANKVDMVWIVGGSS VYKEAMNHPGHLKLFVTRIM QDFESDTFFPEIDLEKYKLL PEYPGVLSDVQEEKGIKYKF EVYEKND

Data sets:

H_exch_rates
- H_exch_rates_1

Data type	Count
H exchange rates	104

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Protein	1
2	ligand	2

Entities:

Entity 1, Protein - Formula weight is not available

1

MET

VAL

GLY

SER

LEU

ASN

CYS

ILE

VAL

ALA

2

VAL

SER

GLN

ASN

MET

GLY

ILE

GLY

LYS

ASN

3

GLY

ASP

LEU

PRO

TRP

PRO

LEU

ARG

ASN

4

GLU

PHE

ARG

TYR

PHE

GLN

ARG

MET

THR

5

THR

SER

VAL

GLU

GLY

LYS

GLN

ASN

LEU

6

VAL

ILE

MET

GLY

LYS

THR

TRP

PHE

SER

7

ILE

PRO

GLU

LYS

ASN

ARG

PRO

LEU

LYS

GLY

8

ARG

ILE

ASN

LEU

VAL

LEU

SER

ARG

GLU

LEU

9

LYS

GLU

PRO

GLN

GLY

ALA

HIS

PHE

LEU

10

SER

ARG

SER

LEU

ASP

ALA

LEU

LYS

LEU

11

THR

GLU

GLN

PRO

GLU

LEU

ALA

ASN

LYS

VAL

12

ASP

MET

VAL

TRP

ILE

VAL

GLY

SER

13

VAL

TYR

LYS

GLU

ALA

MET

ASN

HIS

PRO

GLY

14

HIS

LEU

LYS

LEU

PHE

VAL

THR

ARG

ILE

MET

15

GLN

ASP

PHE

GLU

SER

ASP

THR

PHE

PRO

16

GLU

ILE

ASP

LEU

GLU

LYS

TYR

LYS

LEU

17

PRO

GLU

TYR

PRO

GLY

VAL

LEU

SER

ASP

VAL

18

GLN

GLU

LYS

GLY

ILE

LYS

TYR

LYS

PHE

19

GLU

VAL

TYR

GLU

LYS

ASN

ASP

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

1

FOL

Samples:

sample_1: dihydrofolate reductase, [U-100% 15N], 0.4 mM; folate 425 uM; D2O 55 M; K-phosphate 50 mM; KCl 50 mM; DTT 1 mM

sample_conditions_1: ionic strength: 100 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1

Software:

NMRPipe v9.9 - data analysis

NMR spectrometers:

Bruker AVANCE III HD 750 MHz

UniProt	P00374
AlphaFold	Q6IRW8