BMRB Entry 6303

Name: Solution structure of a diiron protein model
Published: 2005-05-19

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PDB ID: 1u7j
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR6303
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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:

Solution structure of a diiron protein model

Deposition date:

2004-08-26

Original release date:

2005-05-19

Authors:

Maglio, O.; Nastri, F.; Calhoun, J.; Lahr, S.; Pavone, V.; DeGrado, W.; Lombardi, A.

Citation:

Citation: Calhoun, J.; Nastri, F.; Maglio, O.; Pavone, V.; Lombardi, A.; DeGrado, W.. "Artificial diiron proteins: From structure to function" Biopolymers 80, 264-278 (2005).
PubMed: 15700297

Assembly members:

Assembly members:
Four-helix bundle, polymer, 49 residues, Formula weight is not available
ZN, non-polymer, 65.409 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: Plasmid PET15B

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Four-helix bundle: MDYLRELYKLEQQAMKLYRE ASERVGDPVLAKILEDEEKH IEWLETING

Data sets:

assigned_chemical_shifts
- chemical_shift_set_1

Data type	Count
1H chemical shifts	363

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Four-helix bundle chain A	1
2	Four-helix bundle chain B	1
3	ZINC (II) ION 1	2
4	ZINC (II) ION 2	2

Entities:

Entity 1, Four-helix bundle chain A 49 residues - Formula weight is not available

1

MET

ASP

TYR

LEU

ARG

GLU

LEU

TYR

LYS

LEU

2

GLU

GLN

ALA

MET

LYS

LEU

TYR

ARG

GLU

3

ALA

SER

GLU

ARG

VAL

GLY

ASP

PRO

VAL

LEU

4

ALA

LYS

ILE

LEU

GLU

ASP

GLU

LYS

HIS

5

ILE

GLU

TRP

LEU

GLU

THR

ILE

ASN

GLY

Entity 2, ZINC (II) ION 1 - Zn - 65.409 Da.

1

ZN

Samples:

sample_1: Four-helix bundle 0.5 mM; phosphate buffer 50 mM; H2O 90%; D2O 10%

sample_cond_1: pH: 6.1; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D TOCSY	sample_1	not available	sample_cond_1
DQF-COSY	sample_1	not available	sample_cond_1
2D NOESY	sample_1	not available	sample_cond_1

Software:

NMRPipe v1.7 - processing

DYANA v1.5 - structure solution

AMBER v7.0 - refinement

NMR spectrometers:

Bruker AVANCE 800 MHz