BMRB Entry 7296

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PDB ID: 2i8f
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR7296
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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 Conformation of the His 47 to Ala 47 Mutant of Pseudomonas stutzeri ZoBell Ferrocytochrome c-551 PubMed: 17496029

Deposition date: 2006-09-14 Original release date: 2007-10-09

Authors: Liang, Qiaoli; Miller, Gregory; Beeghley, Chanda; Graf, Coyner; Timkovich, Russell

Citation: Liang, Qiaoli; Miller, Gregory; Beeghley, Chanda; Graf, Coyner; Timkovich, Russell. "Solution conformation of the His-47 to Ala-47 mutant of Pseudomonas stutzeri ZoBell ferrocytochrome c-551." Biophys. J. 93, 1700-1706 (2007).

Assembly members:
H47A peptide chain, polymer, 82 residues, 9500 Da.
HEM, non-polymer, 616.487 Da.

Natural source: Common Name: Pseudomonas stutzeri Zobell Taxonomy ID: 316 Superkingdom: Eubacteria Kingdom: not available Genus/species: Pseudomonas stutzeri

Experimental source: Production method: recombinant technology

Entity Sequences (FASTA):
H47A peptide chain: QDGEALFKSKPCAACHSVDT KMVGPALKEVAAKNAGVEGA ADTLALAIKNGSQGVWGPIP MPPNPVTEEEAKILAEWVLS LK

Data sets:

assigned_chemical_shifts
- chem_shift_list_1

Data type	Count
1H chemical shifts	596

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	H47A cyt c-551	1
2	PROTOPORPHYRIN_IX_CONTAINING_FE	2

Entities:

Entity 1, H47A cyt c-551 82 residues - 9500 Da.

1

GLN

ASP

GLY

GLU

ALA

LEU

PHE

LYS

SER

LYS

2

PRO

CYS

ALA

CYS

HIS

SER

VAL

ASP

THR

3

LYS

MET

VAL

GLY

PRO

ALA

LEU

LYS

GLU

VAL

4

ALA

LYS

ASN

ALA

GLY

VAL

GLU

GLY

ALA

5

ALA

ASP

THR

LEU

ALA

LEU

ALA

ILE

LYS

ASN

6

GLY

SER

GLN

GLY

VAL

TRP

GLY

PRO

ILE

PRO

7

MET

PRO

ASN

PRO

VAL

THR

GLU

8

ALA

LYS

ILE

LEU

ALA

GLU

TRP

VAL

LEU

SER

9

LEU

LYS

Entity 2, PROTOPORPHYRIN_IX_CONTAINING_FE - C34 H32 Fe N4 O4 - 616.487 Da.

1

HEM

Samples:

sample_1: H47A c-551 1.5 mM; H2O 10%; D2O 90%; sodium phosphate buffer 50 mM; sodium dithionite 10 mM

conditions_1: pH: 7.00; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
NOESY	sample_1	not available	conditions_1
DQF-COSY	sample_1	not available	conditions_1
TOCSY	sample_1	not available	conditions_1

Software:

NMRView v6.2.10 -

NMRPipe vJuly, 2004 -

ARIA v2.0alpha -

CNS v1.1 -

NMR spectrometers:

Bruker AVANCE 600 MHz