BMRB Entry 18992

Name: Backbone resonance assignment of [2Fe-2S]-ferredoxin in its reduced state
Published: 2014-02-14

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR18992

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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:

Backbone resonance assignment of [2Fe-2S]-ferredoxin in its reduced state

Deposition date:

2013-01-30

Original release date:

2014-02-14

Authors:

Kim, Jin Hae; Markley, John

Citation:

Citation: Kim, Jin Hae; Frederick, Ronnie; Reinen, Nichole; Troupis, Andrew; Markley, John. "[2Fe-2S]-Ferredoxin Binds Directly to Cysteine Desulfurase and Supplies an Electron for Iron-Sulfur Cluster Assembly but Is Displaced by the Scaffold Protein or Bacterial Frataxin." J. Am. Chem. Soc. 135, 8117-8120 (2013).
PubMed: 23682711

Assembly members:

Assembly members:
ferredoxin, polymer, 111 residues, Formula weight is not available
entity_FES, non-polymer, 175.820 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: pDEST42

Entity Sequences (FASTA):

Entity Sequences (FASTA):
ferredoxin: MPKIVILPHQDLCPDGAVLE ANSGETILDAALRNGIEIEH ACEKSCACTTCHCIVREGFD SLPESSEQEDDMLDKAWGLE PESRLSCQARVTDEDLVVEI PRYTINHAREH

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	174
15N chemical shifts	79
1H chemical shifts	79

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	ferredoxin	1
2	2Fe-2S cluster	2

Entities:

Entity 1, ferredoxin 111 residues - Formula weight is not available

1

MET

PRO

LYS

ILE

VAL

ILE

LEU

PRO

HIS

GLN

2

ASP

LEU

CYS

PRO

ASP

GLY

ALA

VAL

LEU

GLU

3

ALA

ASN

SER

GLY

GLU

THR

ILE

LEU

ASP

ALA

4

ALA

LEU

ARG

ASN

GLY

ILE

GLU

ILE

GLU

HIS

5

ALA

CYS

GLU

LYS

SER

CYS

ALA

CYS

THR

6

CYS

HIS

CYS

ILE

VAL

ARG

GLU

GLY

PHE

ASP

7

SER

LEU

PRO

GLU

SER

GLU

GLN

GLU

ASP

8

ASP

MET

LEU

ASP

LYS

ALA

TRP

GLY

LEU

GLU

9

PRO

GLU

SER

ARG

LEU

SER

CYS

GLN

ALA

ARG

10

VAL

THR

ASP

GLU

ASP

LEU

VAL

GLU

ILE

11

PRO

ARG

TYR

THR

ILE

ASN

HIS

ALA

ARG

GLU

12

HIS

Entity 2, 2Fe-2S cluster - Fe2 S2 - 175.820 Da.

1

FES

Samples:

sample_1: ferredoxin, [U-13C; U-15N], 1 mM; 2Fe-2S cluster 1 mM; TRIS 20 mM; EDTA 0.5 mM; sodium chloride 150 mM; DTT 5 mM; sodium azide 0.02%; DSS 0.7 mM; sodium dithionite 2 mM

sample_conditions_1: ionic strength: 0.15 M; pH: 7.5; pressure: 1 atm; temperature: 298 K

Experiments:

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

Software:

VNMRJ, Varian - collection

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

SPARKY, Goddard - chemical shift assignment, data analysis, peak picking

NMR spectrometers:

Varian INOVA 600 MHz

BMRB	18991 19273
PDB	1I7H
DBJ	BAA16415 BAB36814 BAG78335 BAI26770 BAI31799
EMBL	CAP76977 CAQ32898 CAQ88191 CAQ99416 CAR03967
GB	AAA23755 AAC75578 AAG57639 AAN44071 AAN81500
REF	NP_311418 NP_417020 NP_708364 WP_001124467 WP_001124468
SP	P0A9R4 P0A9R5 P0A9R6
AlphaFold	P0A9R4 P0A9R5 P0A9R6