BMRB Entry 52725

Name: The methyl assignment of ADP-bound state of E. coli Hsp90 N domain
Published: 2025-11-19

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52725

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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

The methyl assignment of ADP-bound state of E. coli Hsp90 N domain

Deposition date:

2024-11-26

Original release date:

2025-11-19

Authors:

Qu, Xiaozhan

Citation:

Citation: Qu, Xiaozhan; Wang, Simin; Zhao, Shuo; Wan, Chanjuan; Xu, Weiya; Huang, Chengdong. "The dynamic triage interplay of Hsp90 with its chaperone cycle and client binding" Nat. Commun. 15, 10661-10661 (2024).
PubMed: 39663352

Assembly members:

Assembly members:
entity_1, polymer, 215 residues, Formula weight is not available
entity_ADP, non-polymer, 427.201 Da.

Natural source:

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

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET-16a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MKGQETRGFQSEVKQLLHLM IHSLYSNKEIFLRELISNAS DAADKLRFRALSNPDLYEGD GELRVRVSFDKDKRTLTISD NGVGMTRDEVIDHLGTIAKS GTKSFLESLGSDQAKDSQLI GQFGVGFYSAFIVADKVTVR TRAAGEKPENGVFWESAGEG EYTVADITKEDRGTEITLHL REGEDEFLDDWRVRSIISKY SDHIALPVEIEKREE

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	103
1H chemical shifts	309

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	The E coli Hsp90 N domain	1
2	ADP	2

Entities:

Entity 1, The E coli Hsp90 N domain 215 residues - Formula weight is not available

1

MET

LYS

GLY

GLN

GLU

THR

ARG

GLY

PHE

GLN

2

SER

GLU

VAL

LYS

GLN

LEU

HIS

LEU

MET

3

ILE

HIS

SER

LEU

TYR

SER

ASN

LYS

GLU

ILE

4

PHE

LEU

ARG

GLU

LEU

ILE

SER

ASN

ALA

SER

5

ASP

ALA

ASP

LYS

LEU

ARG

PHE

ARG

ALA

6

LEU

SER

ASN

PRO

ASP

LEU

TYR

GLU

GLY

ASP

7

GLY

GLU

LEU

ARG

VAL

ARG

VAL

SER

PHE

ASP

8

LYS

ASP

LYS

ARG

THR

LEU

THR

ILE

SER

ASP

9

ASN

GLY

VAL

GLY

MET

THR

ARG

ASP

GLU

VAL

10

ILE

ASP

HIS

LEU

GLY

THR

ILE

ALA

LYS

SER

11

GLY

THR

LYS

SER

PHE

LEU

GLU

SER

LEU

GLY

12

SER

ASP

GLN

ALA

LYS

ASP

SER

GLN

LEU

ILE

13

GLY

GLN

PHE

GLY

VAL

GLY

PHE

TYR

SER

ALA

14

PHE

ILE

VAL

ALA

ASP

LYS

VAL

THR

VAL

ARG

15

THR

ARG

ALA

GLY

GLU

LYS

PRO

GLU

ASN

16

GLY

VAL

PHE

TRP

GLU

SER

ALA

GLY

GLU

GLY

17

GLU

TYR

THR

VAL

ALA

ASP

ILE

THR

LYS

GLU

18

ASP

ARG

GLY

THR

GLU

ILE

THR

LEU

HIS

LEU

19

ARG

GLU

GLY

GLU

ASP

GLU

PHE

LEU

ASP

20

TRP

ARG

VAL

ARG

SER

ILE

SER

LYS

TYR

21

SER

ASP

HIS

ILE

ALA

LEU

PRO

VAL

GLU

ILE

22

GLU

LYS

ARG

GLU

Entity 2, ADP - C10 H15 N5 O10 P2 - 427.201 Da.

1

ADP

Samples:

sample_1: The ADP-bound state of E coli Hsp90 N domain, [U-2H, 15N; Ala- 13CH3; Met- 13CH3; Ile-d1- 13CH3; Leu, Val- 13CH3/ 13CH3; Thr- 13CH3], 600 uM

sample_conditions_1: ionic strength: 100 mM; pH: 7.0; pressure: 1 atm; temperature: 303 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-13C HMQC	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1

Software:

SPARKY - collection

NMRViewJ - chemical shift assignment

NMR spectrometers:

Bruker AVANCE III 600 MHz