BMRB Entry 53002

Name: Comprehensive NMR Data Set for Protein ZLBT-C: Chemical Shifts and RDCs
Published: 2025-04-17

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR53002

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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Comprehensive NMR Data Set for Protein ZLBT-C: Chemical Shifts and RDCs

Deposition date:

2025-04-03

Original release date:

2025-04-17

Authors:

Qi, Yang; Martin, Jeffrey; Barb, Adam; Thelot, Francois; Yan, Anthony; Donald, Bruce; Oas, Terrence

Citation:

Citation: Qi, Yang; Martin, Jeffrey; Barb, Adam; Thelot, Francois; Yan, Anthony; Donald, Bruce; Oas, Terrence. "Continuous Interdomain Orientation Distributions Reveal Components of Binding Thermodynamics." J. Mol. Biol. 430, 3412-3426 (2018).
PubMed: 29924964

Assembly members:

Assembly members:
entity_1, polymer, . residues, Formula weight is not available
entity_LU, non-polymer, 174.967 Da.

Natural source:

Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli

Experimental source:

Experimental source: Production method: purified from the natural source

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: VDNKFNKEQQNAFYEILHLP NLNEEQRNAFIQSLKDYIDT NNDGAYEGDELQSANLLAEA KKLNDAQAPKADNKFNKEQQ NAFYEILHLPNLTEEQRNGF IQSLKDDPSVSKEILAEAKK LNDAQAPK

Data sets:

RDCs
- RDCs_1
- RDCs_2
assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	153
15N chemical shifts	84
1H chemical shifts	191

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	ZLBT-C	1
2	Lutetium ion	2

Entities:

Entity 1, ZLBT-C - Formula weight is not available

1

VAL

ASP

ASN

LYS

PHE

ASN

LYS

GLU

GLN

2

ASN

ALA

PHE

TYR

GLU

ILE

LEU

HIS

LEU

PRO

3

ASN

LEU

ASN

GLU

GLN

ARG

ASN

ALA

PHE

4

ILE

GLN

SER

LEU

LYS

ASP

TYR

ILE

ASP

THR

5

ASN

ASP

GLY

ALA

TYR

GLU

GLY

ASP

GLU

6

LEU

GLN

SER

ALA

ASN

LEU

ALA

GLU

ALA

7

LYS

LEU

ASN

ASP

ALA

GLN

ALA

PRO

LYS

8

ALA

ASP

ASN

LYS

PHE

ASN

LYS

GLU

GLN

9

ASN

ALA

PHE

TYR

GLU

ILE

LEU

HIS

LEU

PRO

10

ASN

LEU

THR

GLU

GLN

ARG

ASN

GLY

PHE

11

ILE

GLN

SER

LEU

LYS

ASP

PRO

SER

VAL

12

SER

LYS

GLU

ILE

LEU

ALA

GLU

ALA

LYS

13

LEU

ASN

ASP

ALA

GLN

ALA

PRO

LYS

Entity 2, Lutetium ion - Lu - 174.967 Da.

1

LU

Samples:

sample_1: ZLBT-C, [U-99% 13C; U-99% 15N], 375 uM; MOPS 25 mM; KCl 100 mM

sample_conditions_1: pH: 7.2; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
15N HSQC IPAP	sample_1	anisotropic	sample_conditions_1
15N HSQC IPAP	sample_1	anisotropic	sample_conditions_1
15N HSQC IPAP	sample_1	isotropic	sample_conditions_1

Software:

NMRPipe - processing

NMR spectrometers:

Varian/Agilent INOVA 800 MHz

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