BMRB Entry 50576

Name: NfsB + nicotinate
Published: 2021-01-25

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50576

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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:

NfsB + nicotinate

Deposition date:

2020-11-18

Original release date:

2021-01-25

Authors:

Hyde, Eva; Chau, Alex; Smith, Lorna

Citation:

Citation: Hyde, Eva; Chau, Alex; Smith, Lorna. "Backbone assignment of E. coli NfsB and the effects of addition of the cofactor analogue nicotinic acid" Biomol. NMR Assignments 15, 143-151 (2021).
PubMed: 33423170

Assembly members:

Assembly members:
entity_1, polymer, 217 residues, Formula weight is not available
entity_NIO, non-polymer, 123.109 Da.
entity_FMN, non-polymer, 456.344 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: recombinant technology Host organism: Escherichia coli Vector: pET11c-NfsB

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MDIISVALKRHSTKAFDASK KLTPEQAEQIKTLLQYSPSS TNSQPWHFIVASTEEGKARV AKSAAGNYVFNERKMLDASH VVVFCAKTAMDDVWLKLVVD QEDADGRFATPEAKAANDKG RKFFADMHRKDLHDDAEWMA KQVYLNVGNFLLGVAALGLD AVPIEGFDAAILDAEFGLKE KGYTSLVVVPVGHHSVEDFN ATLPKSRLPQNITLTEV

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
15N chemical shifts	199
1H chemical shifts	199

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	E. coli NfsB, chain 1	1
2	E. coli NfsB, chain 2	1
3	NIO, 1	2
4	NIO, 2	2
5	FMN, 1	3
6	FMN, 2	3

Entities:

Entity 1, E. coli NfsB, chain 1 217 residues - Formula weight is not available

1

MET

ASP

ILE

SER

VAL

ALA

LEU

LYS

ARG

2

HIS

SER

THR

LYS

ALA

PHE

ASP

ALA

SER

LYS

3

LYS

LEU

THR

PRO

GLU

GLN

ALA

GLU

GLN

ILE

4

LYS

THR

LEU

GLN

TYR

SER

PRO

SER

5

THR

ASN

SER

GLN

PRO

TRP

HIS

PHE

ILE

VAL

6

ALA

SER

THR

GLU

GLY

LYS

ALA

ARG

VAL

7

ALA

LYS

SER

ALA

GLY

ASN

TYR

VAL

PHE

8

ASN

GLU

ARG

LYS

MET

LEU

ASP

ALA

SER

HIS

9

VAL

PHE

CYS

ALA

LYS

THR

ALA

MET

10

ASP

VAL

TRP

LEU

LYS

LEU

VAL

ASP

11

GLN

GLU

ASP

ALA

ASP

GLY

ARG

PHE

ALA

THR

12

PRO

GLU

ALA

LYS

ALA

ASN

ASP

LYS

GLY

13

ARG

LYS

PHE

ALA

ASP

MET

HIS

ARG

LYS

14

ASP

LEU

HIS

ASP

ALA

GLU

TRP

MET

ALA

15

LYS

GLN

VAL

TYR

LEU

ASN

VAL

GLY

ASN

PHE

16

LEU

GLY

VAL

ALA

LEU

GLY

LEU

ASP

17

ALA

VAL

PRO

ILE

GLU

GLY

PHE

ASP

ALA

18

ILE

LEU

ASP

ALA

GLU

PHE

GLY

LEU

LYS

GLU

19

LYS

GLY

TYR

THR

SER

LEU

VAL

PRO

20

VAL

GLY

HIS

SER

VAL

GLU

ASP

PHE

ASN

21

ALA

THR

LEU

PRO

LYS

SER

ARG

LEU

PRO

GLN

22

ASN

ILE

THR

LEU

THR

GLU

VAL

Entity 2, NIO, 1 - C6 H5 N O2 - 123.109 Da.

1

NIO

Entity 3, FMN, 1 - C17 H21 N4 O9 P - 456.344 Da.

1

FMN

Samples:

sample_1: NfsB, [U-100% 15N], 0.53 mM; Nicotinic acid 8.9 mM; D2O, [U-2H], 10%; sodium phosphate 20 mM; EDTA 0.05 mM; sodium azide 1 uM; AEBSF protease inhibitor 1 uM

sample_conditions_1: ionic strength: 0.06 M; pH: 7.0; pressure: 1 atm; temperature: 308 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
1D 1H	sample_1	isotropic	sample_conditions_1

Software:

ANALYSIS v2 - data analysis

NMRPipe - processing

NMR spectrometers:

Varian Avance 600 MHz

UNP	P38489
AlphaFold	P19575