BMRB Entry 6578

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR6578

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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 1H, 13C, and 15N Chemical Shift Assignments for Bcl-xl/Bad BH3 peptide complex PubMed: 16132832

Deposition date: 2005-04-01 Original release date: 2005-09-01

Authors: Petros, Andrew; Fesik, Stephen; Olejniczak, Edward

Citation: Petros, Andrew; Fesik, Stephen; Olejniczak, Edward. "1H, 13C and 15N Resonance Assignments of a Bcl-xL/Bad Peptide Complex" J. Biomol. NMR 32, 260-260 (2005).

Assembly members:
bcl-xl, polymer, 171 residues, Formula weight is not available
Bad-BH3, polymer, 25 residues, Formula weight is not available

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

Experimental source: Production method: recombinant technology

Entity Sequences (FASTA):
bcl-xl: MSQSNRELVVDFLSYKLSQK GYSWSQFSDVEENRTEAPEG TESEAVKQALREAGDEFELR YRRAFSDLTSQLHITPGTAY QSFEQVVNELFRDGVNWGRI VAFFSFGGALCVESVDKKMQ VLVSRIAAWMATYLNDHLEP WIQENGGWDTFVELYGNNAA AESRKGQERLE
Bad-BH3: NLWAAQRYGRELRRMSDEFV DSFKK

Data sets:

assigned_chemical_shifts
- chem_shift_list_1

Data type	Count
13C chemical shifts	632
15N chemical shifts	162
1H chemical shifts	983

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	bcl-xl	1
2	Bad-BH3	2

Entities:

Entity 1, bcl-xl 171 residues - Formula weight is not available

1

MET

SER

GLN

SER

ASN

ARG

GLU

LEU

VAL

2

ASP

PHE

LEU

SER

TYR

LYS

LEU

SER

GLN

LYS

3

GLY

TYR

SER

TRP

SER

GLN

PHE

SER

ASP

VAL

4

GLU

ASN

ARG

THR

GLU

ALA

PRO

GLU

GLY

5

THR

GLU

SER

GLU

ALA

VAL

LYS

GLN

ALA

LEU

6

ARG

GLU

ALA

GLY

ASP

GLU

PHE

GLU

LEU

ARG

7

TYR

ARG

ALA

PHE

SER

ASP

LEU

THR

SER

8

GLN

LEU

HIS

ILE

THR

PRO

GLY

THR

ALA

TYR

9

GLN

SER

PHE

GLU

GLN

VAL

ASN

GLU

LEU

10

PHE

ARG

ASP

GLY

VAL

ASN

TRP

GLY

ARG

ILE

11

VAL

ALA

PHE

SER

PHE

GLY

ALA

LEU

12

CYS

VAL

GLU

SER

VAL

ASP

LYS

MET

GLN

13

VAL

LEU

VAL

SER

ARG

ILE

ALA

TRP

MET

14

ALA

THR

TYR

LEU

ASN

ASP

HIS

LEU

GLU

PRO

15

TRP

ILE

GLN

GLU

ASN

GLY

TRP

ASP

THR

16

PHE

VAL

GLU

LEU

TYR

GLY

ASN

ALA

17

ALA

GLU

SER

ARG

LYS

GLY

GLN

GLU

ARG

LEU

18

GLU

Entity 2, Bad-BH3 25 residues - Formula weight is not available

1

ASN

LEU

TRP

ALA

GLN

ARG

TYR

GLY

ARG

2

GLU

LEU

ARG

MET

SER

ASP

GLU

PHE

VAL

3

ASP

SER

PHE

LYS

Samples:

sample_1: bcl-xl, [U-13C; U-15N], 0.5 – 1.0 mM; Bad-BH30.5 – 1.0 mM; sodium phosphate 40 mM

conditions_1: pH: 7; temperature: 303 K

Experiments:

Name	Sample	Sample state	Sample conditions
HNCA	sample_1	not available	conditions_1
HNCOCA	sample_1	not available	conditions_1
HNCACB	sample_1	not available	conditions_1
HNCOCACB	sample_1	not available	conditions_1
HNCO	sample_1	not available	conditions_1
HCCH Tocsy	sample_1	not available	conditions_1
13C seperated Noesy	sample_1	not available	conditions_1

Software:

No software information available

NMR spectrometers:

Bruker DRX 500 MHz
Bruker DRX 800 MHz

PDB	1G5J
DBJ	BAE72969 BAF84552 BAG64171 BAG70068 BAG70192
EMBL	CAG46733 CAG46757
GB	AAB36516 AAB72092 AAB88124 AAH01901 AAH95431
REF	NP_001238857 NP_001252885 NP_004313 NP_116784 XP_002755519
SP	Q92934

Biological Magnetic Resonance Data Bank