BMRB Entry 25014

Name: holo_YqcA_dynamics
Published: 2014-09-18

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR25014

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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_YqcA_dynamics

Deposition date:

2014-06-12

Original release date:

2014-09-18

Authors:

Jin, Changwen; Hu, Yunfei; Ye, Qian

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:
YqcA, polymer, 149 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):
YqcA: MAEIGIFVGTMYGNSLLVAE EAEAILTAQGHKATVFEDPE LSDWLPYQDKYVLVVTSTTG QGDLPDSIVPLFQGIKDSLG FQPNLRYGVIALGDSSYVNF CNGGKQFDALLQEQSAQRVG EMLLIDASENPEPETESNPW VEQWGTLLS

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	135
T1 relaxation values	136
T2 relaxation values	136

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	YqcA	1

Entities:

Entity 1, YqcA 149 residues - Formula weight is not available

1

MET

ALA

GLU

ILE

GLY

ILE

PHE

VAL

GLY

THR

2

MET

TYR

GLY

ASN

SER

LEU

VAL

ALA

GLU

3

GLU

ALA

GLU

ALA

ILE

LEU

THR

ALA

GLN

GLY

4

HIS

LYS

ALA

THR

VAL

PHE

GLU

ASP

PRO

GLU

5

LEU

SER

ASP

TRP

LEU

PRO

TYR

GLN

ASP

LYS

6

TYR

VAL

LEU

VAL

THR

SER

THR

GLY

7

GLN

GLY

ASP

LEU

PRO

ASP

SER

ILE

VAL

PRO

8

LEU

PHE

GLN

GLY

ILE

LYS

ASP

SER

LEU

GLY

9

PHE

GLN

PRO

ASN

LEU

ARG

TYR

GLY

VAL

ILE

10

ALA

LEU

GLY

ASP

SER

TYR

VAL

ASN

PHE

11

CYS

ASN

GLY

LYS

GLN

PHE

ASP

ALA

LEU

12

LEU

GLN

GLU

GLN

SER

ALA

GLN

ARG

VAL

GLY

13

GLU

MET

LEU

ILE

ASP

ALA

SER

GLU

ASN

14

PRO

GLU

PRO

GLU

THR

GLU

SER

ASN

PRO

TRP

15

VAL

GLU

GLN

TRP

GLY

THR

LEU

SER

Samples:

sample_1: YqcA, [U-15N], 1 mM; DTT 20 mM; sodium phosphate 30 mM; sodium chloride 30 mM; H2O 90%; D2O 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	18154 19151 19152 25013
PDB	2M6R 2M6S
DBJ	BAB37073 BAE76862 BAG78574 BAI27051 BAI32080
EMBL	CAP77223 CAQ33114 CAQ99718 CAR04300 CAR09403
GB	AAB40440 AAC75832 AAG57904 AAN44291 AAN81803
REF	NP_311677 NP_417270 NP_708584 WP_000229279 WP_000807726
SP	P65367 P65368 P65369
AlphaFold	P65367 P65368 P65369