BMRB Entry 50235

Name: Backbone assignments of the cIAP1-Bir3 domain
Published: 2021-01-25

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50235

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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:

Backbone assignments of the cIAP1-Bir3 domain

Deposition date:

2020-04-14

Original release date:

2021-01-25

Authors:

Horst, Reto; Schiemer, James; Fennell, Kim

Citation:

Citation: Schiemer, James; Horst, Reto; Meng, Yilin; Montgomery, Justin; Xu, Yingrong; Feng, Xidong; Borzilleri, Kris; Uccello, Daniel; Leverett, Carolyn; Brown, Stephen; Che, Ye; Brown, Matthew; Hayward, Matthew; Gilbert, Adam; Noe, Mark; Calabrese, Matthew. "Snapshots and ensembles of BTK and cIAP1 protein degrader ternary complexes." Nat. Chem. Biol. 17, 152-160 (2021).
PubMed: 33199914

Assembly members:

Assembly members:
entity_1, polymer, 99 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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GSGPGSSISNLSMQTHAARM RTFMYWPSSVPVQPEQLASA GFYYVGRNDDVKCFCCDGGL RCWESGDDPWVEHAKWFPRC EFLIRMKGQEFVDEIQGRY

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	266
15N chemical shifts	92
1H chemical shifts	92

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	cIAP1	1

Entities:

Entity 1, cIAP1 99 residues - Formula weight is not available

1

GLY

SER

GLY

PRO

GLY

SER

ILE

SER

ASN

2

LEU

SER

MET

GLN

THR

HIS

ALA

ARG

MET

3

ARG

THR

PHE

MET

TYR

TRP

PRO

SER

VAL

4

PRO

VAL

GLN

PRO

GLU

GLN

LEU

ALA

SER

ALA

5

GLY

PHE

TYR

VAL

GLY

ARG

ASN

ASP

6

VAL

LYS

CYS

PHE

CYS

ASP

GLY

LEU

7

ARG

CYS

TRP

GLU

SER

GLY

ASP

PRO

TRP

8

VAL

GLU

HIS

ALA

LYS

TRP

PHE

PRO

ARG

CYS

9

GLU

PHE

LEU

ILE

ARG

MET

LYS

GLY

GLN

GLU

10

PHE

VAL

ASP

GLU

ILE

GLN

GLY

ARG

TYR

Samples:

sample_1: cIAP1 - Bir3, [U-100% 13C; U-100% 15N], 300 uM; TRIS, [U-2H], 20 mM; glycerol, [U-2H], 2.5%; sodium chloride 50 mM; TCEP 2 mM; PF-06993964 450 uM; D2O 10%

sample_conditions_1: ionic strength: 50 mM; pH: 7.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN v3.5 - collection

CARA - chemical shift assignment

NMR spectrometers:

Bruker Avance 600 MHz

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