BMRB Entry 50299

Name: Identification of Phenothiazine Derivatives as UHM-Binding Inhibitors of Early Spliceosome Assembly
Published: 2020-09-28

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50299

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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:

Identification of Phenothiazine Derivatives as UHM-Binding Inhibitors of Early Spliceosome Assembly

Deposition date:

2020-05-26

Original release date:

2020-09-28

Authors:

Jagtap, Pravin Kumar Ankush; Kubelka, Tomas; Soni, Komal; Sattler, Michael

Citation:

Citation: Jagtap, Pravin Kumar Ankush; Kubelka, Tomas; Soni, Komal; Will, Cindy; Garg, Divita; Sippel, Claudia; Kapp, Tobias; Potukuchi, Harish Kumar; Schorpp, Kenji; Hadian, Kamyar; Kessler, Horst; Luhrmann, Reinhard; Hausch, Felix; Bach, Thorsten; Sattler, Michael. "Identification of phenothiazine derivatives as UHM-binding inhibitors of early spliceosome assembly" Nat. Commun. 11, 5621-5621 (2020).
PubMed: 33159082

Assembly members:

Assembly members:
entity_1, polymer, 105 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-M

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GAMGKCPTKVVLLRNMVGAG EVDEDLEVETKEECEKYGKV GKCVIFEIPGAPDDEAVRIF LEFERVESAIKAVVDLNGRY FGGRVVKACFYNLDKFRVLD LAEQV

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	63
15N chemical shifts	100
1H chemical shifts	216

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	SPF45 UHM domain	1

Entities:

Entity 1, SPF45 UHM domain 105 residues - Formula weight is not available

1

GLY

ALA

MET

GLY

LYS

CYS

PRO

THR

LYS

VAL

2

VAL

LEU

ARG

ASN

MET

VAL

GLY

ALA

GLY

3

GLU

VAL

ASP

GLU

ASP

LEU

GLU

VAL

GLU

THR

4

LYS

GLU

CYS

GLU

LYS

TYR

GLY

LYS

VAL

5

GLY

LYS

CYS

VAL

ILE

PHE

GLU

ILE

PRO

GLY

6

ALA

PRO

ASP

GLU

ALA

VAL

ARG

ILE

PHE

7

LEU

GLU

PHE

GLU

ARG

VAL

GLU

SER

ALA

ILE

8

LYS

ALA

VAL

ASP

LEU

ASN

GLY

ARG

TYR

9

PHE

GLY

ARG

VAL

LYS

ALA

CYS

PHE

10

TYR

ASN

LEU

ASP

LYS

PHE

ARG

VAL

LEU

ASP

11

LEU

ALA

GLU

GLN

VAL

Samples:

sample_1: SPF45, [U-100% 15N], 50 uM; 7, 8 dimethoxy perphenazine 100 uM

sample_2: SPF45, [U-100% 13C; U-100% 15N], 650 uM; 7, 8 dimethoxy perphenazine 1.3 mM

sample_conditions_1: ionic strength: 0.15 M; pH: 6.8; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_2	isotropic	sample_conditions_1

Software:

TOPSPIN - collection

CcpNmr Analysis - chemical shift assignment, data analysis

HADDOCK - structure solution

NMR spectrometers:

Bruker Avance 600 MHz
Bruker Avance 800 MHz

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