BMRB Entry 51106

Name: 1H, 13C and 15N resonance assignments of the first BIR domain of cellular inhibitor of apoptosis protein 1
Published: 2022-02-18

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51106

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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: 1H, 13C and 15N resonance assignments of the first BIR domain of cellular inhibitor of apoptosis protein 1 PubMed: 35061233

Deposition date: 2021-09-27 Original release date: 2022-02-18

Authors: Ng, Hui Qi; Kang, Congbao

Citation: Ng, Hui Qi; Li, Qingxin; Kang, Congbao. "1H, 13C and 15N resonance assignments of the first BIR domain of cellular inhibitor of apoptosis protein 1" Biomol. NMR Assignments 16, 91-95 (2022).

Assembly members:
entity_1, polymer, 82 residues, Formula weight is not available
entity_ZN, non-polymer, 65.409 Da.

Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET29b

Entity Sequences (FASTA):
entity_1: MKYDFSCELYRMSTYSTFPA GVPVSERSLARAGFYYTGVN DKVKCFCCGLMLDNWKLGDS PIHKHKQLYPSCSFIQNLVS AS

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	290
15N chemical shifts	79
1H chemical shifts	322

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	BIR1-cIAP	1
2	Zinc ion	2

Entities:

Entity 1, BIR1-cIAP 82 residues - Formula weight is not available

M39-S120 of human cIAP

1

MET

LYS

TYR

ASP

PHE

SER

CYS

GLU

LEU

TYR

2

ARG

MET

SER

THR

TYR

SER

THR

PHE

PRO

ALA

3

GLY

VAL

PRO

VAL

SER

GLU

ARG

SER

LEU

ALA

4

ARG

ALA

GLY

PHE

TYR

THR

GLY

VAL

ASN

5

ASP

LYS

VAL

LYS

CYS

PHE

CYS

GLY

LEU

6

MET

LEU

ASP

ASN

TRP

LYS

LEU

GLY

ASP

SER

7

PRO

ILE

HIS

LYS

HIS

LYS

GLN

LEU

TYR

PRO

8

SER

CYS

SER

PHE

ILE

GLN

ASN

LEU

VAL

SER

9

ALA

SER

Entity 2, Zinc ion - Zn - 65.409 Da.

1

ZN

Samples:

sample_1: BIR1-cIAP, [U-100% 13C; U-100% 15N], 0.75 mM; BIR1-cIAP, [U-100% 15N], 0.75 mM; sodium phosphate 20 mM; NaCl 150 mM; DTT 1 mM

sample_conditions_1: ionic strength: 0.17 M; pH: 7.2; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HBHCONH	sample_1	isotropic	sample_conditions_1
3D C(CO)NH	sample_1	isotropic	sample_conditions_1
3D H(CCO)NH	sample_1	isotropic	sample_conditions_1

Software:

NMRPipe - processing

NMRView - chemical shift assignment

TALOS+ - data analysis

NMRFAM-SPARKY - data analysis

NMR spectrometers:

Bruker Avance 700 MHz
Bruker Avance 600 MHz

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