BMRB Entry 26011

Name: Apo solution structure of Hop TPR2A
Published: 2017-03-23

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PDB ID: 2nc9
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR26011
MolProbity Validation Chart

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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:

Apo solution structure of Hop TPR2A

Deposition date:

2016-03-23

Original release date:

2017-03-23

Authors:

Darby, John; Vidler, Lewis; Simpson, Peter; Matthews, Steven; Sharp, Swee; Pearl, Laurence; Hoelder, Swen; Workman, Paul

Citation:

Citation: Darby, John; Vidler, Lewis; Simpson, Peter; Matthews, Steven; Sharp, Swee; Pearl, Laurence; Hoelder, Swen; Workman, Paul. "Solution structure of the Hop TPR 2A domain and validation of novel approaches to inhibitor indentification by NMR, biochemical and in silico screening" .

Assembly members:

Assembly members:
entity, polymer, 139 residues, 15569.708 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: pTWO-E

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: GPHMASLPENKKQALKEKEL GNDAYKKKDFDTALKHYDKA KELDPTNMTYITNQAAVYFE KGDYNKCRELCEKAIEVGRE NREDYRQIAKAYARIGNSYF KEEKYKDAIHFYNKSLAEHR TPDVLKKCQQAEKILKEQE

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1
spectral_peak_list
- spectral_peak_list_1
- spectral_peak_list_2

Data type	Count
13C chemical shifts	607
15N chemical shifts	131
1H chemical shifts	934

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity	1

Entities:

Entity 1, entity 139 residues - 15569.708 Da.

1

GLY

PRO

HIS

MET

ALA

SER

LEU

PRO

GLU

ASN

2

LYS

GLN

ALA

LEU

LYS

GLU

LYS

GLU

LEU

3

GLY

ASN

ASP

ALA

TYR

LYS

ASP

PHE

4

ASP

THR

ALA

LEU

LYS

HIS

TYR

ASP

LYS

ALA

5

LYS

GLU

LEU

ASP

PRO

THR

ASN

MET

THR

TYR

6

ILE

THR

ASN

GLN

ALA

VAL

TYR

PHE

GLU

7

LYS

GLY

ASP

TYR

ASN

LYS

CYS

ARG

GLU

LEU

8

CYS

GLU

LYS

ALA

ILE

GLU

VAL

GLY

ARG

GLU

9

ASN

ARG

GLU

ASP

TYR

ARG

GLN

ILE

ALA

LYS

10

ALA

TYR

ALA

ARG

ILE

GLY

ASN

SER

TYR

PHE

11

LYS

GLU

LYS

TYR

LYS

ASP

ALA

ILE

HIS

12

PHE

TYR

ASN

LYS

SER

LEU

ALA

GLU

HIS

ARG

13

THR

PRO

ASP

VAL

LEU

LYS

CYS

GLN

14

ALA

GLU

LYS

ILE

LEU

LYS

GLU

GLN

GLU

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D (H)CCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D H(CCCO)NH-TOCSY	sample_1	isotropic	sample_conditions_1
3D (H)C(CCO)NH-TOCSY	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_2	isotropic	sample_conditions_1
2D (HB)CB(CGCD)H-TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aromatic	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1

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

BMRB Entry 26011

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers: