BMRB Entry 52559

Name: BcX E78Q W9A
Published: 2024-09-30

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52559

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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:

BcX E78Q W9A

Deposition date:

2024-07-18

Original release date:

2024-09-30

Authors:

Saberi, Mahin; Ubbink, Marcellus

Citation:

Citation: Saberi, Mahin; Chikunova, Aleksandra; Ben Bdira, Fredj; Cramer-Blok, Anneloes; Timmer, Monika; Voskamp, Patrick; Ubbink, Marcellus. "Bimodal substrate binding in the active site of the glycosidase BcX" FEBS J. ., .-. (2024).
PubMed: 39185686

Assembly members:

Assembly members:
entity_1, polymer, 185 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Niallia circulans Taxonomy ID: 1397 Superkingdom: Bacteria Kingdom: not available Genus/species: Niallia circulans

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET28a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: ASTDYWQNATDGGGIVNAVN GSGGNYSVNWSNTGNFVVGK GWTTGSPFRTINYNAGVWAP NGNGYLTLYGWTRSPLIQYY VVDSWGTYRPTGTYKGTVKS DGGTYDIYTTTRYNAPSIDG DRTTFTQYWSVRQSKRPTGS NATITFTNHVNAWKSHGMNL GSNWAYQVMATEGYQSSGSS NVTVW

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	184
15N chemical shifts	175
1H chemical shifts	175

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	BcX E78Q W9A	1

Entities:

Entity 1, BcX E78Q W9A 185 residues - Formula weight is not available

1

ALA

SER

THR

ASP

TYR

TRP

GLN

ASN

ALA

THR

2

ASP

GLY

ILE

VAL

ASN

ALA

VAL

ASN

3

GLY

SER

GLY

ASN

TYR

SER

VAL

ASN

TRP

4

SER

ASN

THR

GLY

ASN

PHE

VAL

GLY

LYS

5

GLY

TRP

THR

GLY

SER

PRO

PHE

ARG

THR

6

ILE

ASN

TYR

ASN

ALA

GLY

VAL

TRP

ALA

PRO

7

ASN

GLY

ASN

GLY

TYR

LEU

THR

LEU

TYR

GLY

8

TRP

THR

ARG

SER

PRO

LEU

ILE

GLN

TYR

9

VAL

ASP

SER

TRP

GLY

THR

TYR

ARG

PRO

10

THR

GLY

THR

TYR

LYS

GLY

THR

VAL

LYS

SER

11

ASP

GLY

THR

TYR

ASP

ILE

TYR

THR

12

THR

ARG

TYR

ASN

ALA

PRO

SER

ILE

ASP

GLY

13

ASP

ARG

THR

PHE

THR

GLN

TYR

TRP

SER

14

VAL

ARG

GLN

SER

LYS

ARG

PRO

THR

GLY

SER

15

ASN

ALA

THR

ILE

THR

PHE

THR

ASN

HIS

VAL

16

ASN

ALA

TRP

LYS

SER

HIS

GLY

MET

ASN

LEU

17

GLY

SER

ASN

TRP

ALA

TYR

GLN

VAL

MET

ALA

18

THR

GLU

GLY

TYR

GLN

SER

GLY

SER

19

ASN

VAL

THR

VAL

TRP

Samples:

sample_1: BcX E78Q W9A, [U-100% 13C; U-100% 15N], 1 mM; sodium acetate 25 mM

sample_conditions_1: pH: 5.8; pressure: 1 atm; temperature: 293 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D HNCA	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN v4.1.3 - collection, processing

CcpNMR v2.4.2 - chemical shift assignment, peak picking

NMR spectrometers:

Bruker Avance 850 MHz

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