BMRB Entry 25015

Name: holo_FldA_dynamics
Published: 2014-09-18

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR25015

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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:

holo_FldA_dynamics

Deposition date:

2014-06-12

Original release date:

2014-09-18

Authors:

Jin, Changwen; Ye, Qian; Hu, Yunfei

Citation:

Citation: Ye, Qian; Hu, Yunfei; Jin, Changwen. "Conformational Dynamics of Escherichia coli Flavodoxins in Apo- and Holo-States by Solution NMR Spectroscopy." PLoS ONE 9, e103936-e103936 (2014).
PubMed: 25093851

Assembly members:

Assembly members:
entity, polymer, 176 residues, Formula weight is not available

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: pET21a(+)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: MAITGIFFGSDTGNTENIAK MIQKQLGKDVADVHDIAKSS KEDLEAYDILLLGIPTWYYG EAQCDWDDFFPTLEEIDFNG KLVALFGCGDQEDYAEYFCD ALGTIRDIIEPRGATIVGHW PTAGYHFEASKGLADDDHFV GLAIDEDRQPELTAERVEKW VKQISEELHLDEILNA

Data sets:

heteronucl_NOEs
- heteronuclear_noe_list_1
heteronucl_T1_relaxation
- heteronuclear_T1_list_1
heteronucl_T2_relaxation
- heteronuclear_T2_list_1

Data type	Count
heteronuclear NOE values	163
T1 relaxation values	163
T2 relaxation values	163

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	FldA	1

Entities:

Entity 1, FldA 176 residues - Formula weight is not available

1

MET

ALA

ILE

THR

GLY

ILE

PHE

GLY

SER

2

ASP

THR

GLY

ASN

THR

GLU

ASN

ILE

ALA

LYS

3

MET

ILE

GLN

LYS

GLN

LEU

GLY

LYS

ASP

VAL

4

ALA

ASP

VAL

HIS

ASP

ILE

ALA

LYS

SER

5

LYS

GLU

ASP

LEU

GLU

ALA

TYR

ASP

ILE

LEU

6

LEU

GLY

ILE

PRO

THR

TRP

TYR

GLY

7

GLU

ALA

GLN

CYS

ASP

TRP

ASP

PHE

8

PRO

THR

LEU

GLU

ILE

ASP

PHE

ASN

GLY

9

LYS

LEU

VAL

ALA

LEU

PHE

GLY

CYS

GLY

ASP

10

GLN

GLU

ASP

TYR

ALA

GLU

TYR

PHE

CYS

ASP

11

ALA

LEU

GLY

THR

ILE

ARG

ASP

ILE

GLU

12

PRO

ARG

GLY

ALA

THR

ILE

VAL

GLY

HIS

TRP

13

PRO

THR

ALA

GLY

TYR

HIS

PHE

GLU

ALA

SER

14

LYS

GLY

LEU

ALA

ASP

HIS

PHE

VAL

15

GLY

LEU

ALA

ILE

ASP

GLU

ASP

ARG

GLN

PRO

16

GLU

LEU

THR

ALA

GLU

ARG

VAL

GLU

LYS

TRP

17

VAL

LYS

GLN

ILE

SER

GLU

LEU

HIS

LEU

18

ASP

GLU

ILE

LEU

ASN

ALA

Samples:

sample_1: holo FldA, [U-15N], 1 mM; DTT 20 mM; sodium phosphate 30 mM; sodium chloride 30 mM; H2O 90%; D20 10%

sample_conditions_1: temperature: 298 K; pH: 7.0; pressure: 1 atm

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
T1 measurement	sample_1	isotropic	sample_conditions_1
T2 measurement	sample_1	isotropic	sample_conditions_1

Software:

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - collection

NMR spectrometers:

Bruker Avance 800 MHz

BMRB	19945
PDB	1AG9 1AHN 2MOK
DBJ	BAA35333 BAB34138 BAG76270 BAI24076 BAI29544
EMBL	CAD05157 CAP75173 CAQ31149 CAQ89923 CAQ97531
GB	AAA23789 AAC73778 AAG55007 AAL19638 AAN79244
PIR	AC0586
REF	NP_308742 NP_415210 NP_455255 NP_459679 WP_000321745
SP	P61949 P61950 P61951 Q8ZQX1
AlphaFold	P61949 P61950 P61951 Q8ZQX1