BMRB Entry 50786

Name: N-terminal domain of human HSP90 alpha1 form
Published: 2021-05-27

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50786

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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:

N-terminal domain of human HSP90 alpha1 form

Deposition date:

2021-02-23

Original release date:

2021-05-27

Authors:

Henot, Faustine; Kerfah, Rime; Gans, Pierre; Boisbouvier, Jerome

Citation:

Citation: Henot, Faustine; Kerfah, Rime; Torner, Ricarda; Macek, Pavel; Crublet, Elodie; Gans, Pierre; Frech, Matthias; Hamelin, Olivier; Boisbouvier, Jerome. "Optimized precursor to simplify assignment transfer between backbone resonances and stereospecifically labelled valine and leucine methyl groups: application to human Hsp90 N-terminal domain" J. Biomol. NMR 75, 221-232 (2021).
PubMed: 34041691

Assembly members:

Assembly members:
entity_1, polymer, 236 residues, Formula weight is not available

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: pET-28

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: FENLYFQGDQPMEEEEVETF AFQAEIAQLMSLIINTFYSN KEIFLRELISNSSDALDKIR YESLTDPSKLDSGKELHINL IPNKQDRTLTIVDTGIGMTK ADLINNLGTIAKSGTKAFME ALQAGADISMIGQFGVGFYS AYLVAEKVTVITKHNDDEQY AWESSAGGSFTVRTDTGEPM GRGTKVILHLKEDQTEYLEE RRIKEIVKKHSQFIGYPITL FVEKERDKEVSDDEAE

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	626
15N chemical shifts	167
1H chemical shifts	428

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	N-terminal domain	1

Entities:

Entity 1, N-terminal domain 236 residues - Formula weight is not available

1

PHE

GLU

ASN

LEU

TYR

PHE

GLN

GLY

ASP

GLN

2

PRO

MET

GLU

VAL

GLU

THR

PHE

3

ALA

PHE

GLN

ALA

GLU

ILE

ALA

GLN

LEU

MET

4

SER

LEU

ILE

ASN

THR

PHE

TYR

SER

ASN

5

LYS

GLU

ILE

PHE

LEU

ARG

GLU

LEU

ILE

SER

6

ASN

SER

ASP

ALA

LEU

ASP

LYS

ILE

ARG

7

TYR

GLU

SER

LEU

THR

ASP

PRO

SER

LYS

LEU

8

ASP

SER

GLY

LYS

GLU

LEU

HIS

ILE

ASN

LEU

9

ILE

PRO

ASN

LYS

GLN

ASP

ARG

THR

LEU

THR

10

ILE

VAL

ASP

THR

GLY

ILE

GLY

MET

THR

LYS

11

ALA

ASP

LEU

ILE

ASN

LEU

GLY

THR

ILE

12

ALA

LYS

SER

GLY

THR

LYS

ALA

PHE

MET

GLU

13

ALA

LEU

GLN

ALA

GLY

ALA

ASP

ILE

SER

MET

14

ILE

GLY

GLN

PHE

GLY

VAL

GLY

PHE

TYR

SER

15

ALA

TYR

LEU

VAL

ALA

GLU

LYS

VAL

THR

VAL

16

ILE

THR

LYS

HIS

ASN

ASP

GLU

GLN

TYR

17

ALA

TRP

GLU

SER

ALA

GLY

SER

PHE

18

THR

VAL

ARG

THR

ASP

THR

GLY

GLU

PRO

MET

19

GLY

ARG

GLY

THR

LYS

VAL

ILE

LEU

HIS

LEU

20

LYS

GLU

ASP

GLN

THR

GLU

TYR

LEU

GLU

21

ARG

ILE

LYS

GLU

ILE

VAL

LYS

HIS

22

SER

GLN

PHE

ILE

GLY

TYR

PRO

ILE

THR

LEU

23

PHE

VAL

GLU

LYS

GLU

ARG

ASP

LYS

GLU

VAL

24

SER

ASP

GLU

ALA

GLU

Samples:

sample_1: N-terminal domain of HSP90-alpha, [U-100% 13C; U-100% 15N; U-80% 2H], 0.5 mM; HEPES 20 mM; sodium chloride 150 mM; TCEP 1 mM

sample_2: TCEP 1 mM; HEPES 20 mM; sodium chloride 150 mM; N-terminal domain of HSP90-alpha, U-[2H, 15N, 12C], Ala-[13C1H3]b, Met-[13C1H3]e, Leu/Val-[13C1H3]proS, Ile-[13C1H3]d1, Thr-[13C1H3]g, 0.5 mM

sample_3: N-terminal domain of HSP90-alpha, U-[2H, 15N, 13C], Val-[1,2,3-13C, 13C1H3-proS], Leu-[1,2,3,4-13C, 13C1H3-proS], Ile-[1,2,3,4-13C, 13C1H3- d1], 0.5 mM; HEPES 20 mM; sodium chloride 150 mM; TCEP 1 mM

sample_4: N-terminal domain of HSP90-alpha, U-[2H, 15N, 12C]-Ala-[13C1H3]b, 0.15 – 0.18 mM; HEPES 20 mM; sodium chloride 150 mM; TCEP 1 mM

sample_5: N-terminal domain of HSP90-alpha, U-[2H, 15N, 12C]-Met-[13C1H3]e, 0.07 – 0.38 mM; HEPES 20 mM; sodium chloride 150 mM; TCEP 1 mM

sample_6: N-terminal domain of HSP90-alpha, U-[2H, 15N, 12C]-Ile-[13C1H3]d1, 0.17 – 0.41 mM; HEPES 20 mM; sodium chloride 150 mM; TCEP 1 mM

sample_8: N-terminal domain of HSP90-alpha, U-[2H, 15N, 12C]-Thr-[13C1H3]g, 0.11 – 0.35 mM; HEPES 20 mM; sodium chloride 150 mM; TCEP 1 mM

sample_9: N-terminal domain of HSP90-alpha, U-[2H, 15N, 12C]-Leu/Val-[13C1H3]proS, 0.1 – 0.28 mM; HEPES 20 mM; sodium chloride 150 mM; TCEP 1 mM

sample_conditions_1: ionic strength: 0.15 M; pH: 7.5; pressure: 1 atm; temperature: 298 K

sample_conditions_2: ionic strength: 0.15 M; pH*: 7.8; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N TROSY	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HN(CA)CB	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HN(COCA)CB	sample_1	isotropic	sample_conditions_1
3D HN(CA)CO	sample_1	isotropic	sample_conditions_1
2D 1H-13C HMQC	sample_2	isotropic	sample_conditions_2
3D CCH HMQC-NOESY-HMQC	sample_2	isotropic	sample_conditions_2
2D 1H-13C HMQC	sample_3	isotropic	sample_conditions_2
3D HCC	sample_3	isotropic	sample_conditions_2
3D HC(C)C	sample_3	isotropic	sample_conditions_2
3D HC(CC)C	sample_3	isotropic	sample_conditions_2
2D 1H-13C HMQC	sample_4	isotropic	sample_conditions_2
2D 1H-13C HMQC	sample_5	isotropic	sample_conditions_2
2D 1H-13C HMQC	sample_6	isotropic	sample_conditions_2
2D 1H-13C HMQC	sample_8	isotropic	sample_conditions_2
2D 1H-13C HMQC	sample_9	isotropic	sample_conditions_2

Software:

TOPSPIN v3.5 - collection

NMRPipe - processing

CcpNMR v2 - data analysis

MAGIC - methyl assignment

NMR spectrometers:

Bruker AVANCE III 950 MHz
Bruker AVANCE III 850 MHz
Bruker AVANCE III 600 MHz

UNIPROT	P07900
AlphaFold	Q9BVQ5