BMRB Entry 5660

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PDB ID: 1akk
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR5660
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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:

Partial proton resonance assignements for the different conformers of ferricytochrome c produced in 30% acetonitrile and 70% water solution

Deposition date:

2003-01-14

Original release date:

2003-02-25

Authors:

Sivakolundu, Sivashankar; Mabrouk, Patricia

Citation:

Citation: Sivakolundu, Sivashankar; Mabrouk, Patricia. "Insights into the Alkaline Transformation of Ferricyt c from 1H NMR Study in 30% Acetonitrile-Water" Protein Sci. 10, 2291-2300 (2001).

Assembly members:

Assembly members:
oxidized cytochrome c, polymer, 104 residues, 12384 Da.
HEM, non-polymer, 616.487 Da.

Natural source:

Natural source: Common Name: Horse Taxonomy ID: 9796 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Equus caballus

Experimental source:

Experimental source: Production method: vendor

Entity Sequences (FASTA):

Entity Sequences (FASTA):
oxidized cytochrome c: GDVEKGKKIFVQKCAQCHTV EKGGKHKTGPNLHGLFGRKT GQAPGFTYTDANKNKGITWK EETLMEYLENPKKYIPGTKM IFAGIKKKTEREDLIAYLKK ATNE

Data sets:

assigned_chemical_shifts

Data type	Count
1H chemical shifts	39

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	cytochrome c	1
2	HEME C	2

Entities:

Entity 1, cytochrome c 104 residues - 12384 Da.

1

GLY

ASP

VAL

GLU

LYS

GLY

LYS

ILE

PHE

2

VAL

GLN

LYS

CYS

ALA

GLN

CYS

HIS

THR

VAL

3

GLU

LYS

GLY

LYS

HIS

LYS

THR

GLY

PRO

4

ASN

LEU

HIS

GLY

LEU

PHE

GLY

ARG

LYS

THR

5

GLY

GLN

ALA

PRO

GLY

PHE

THR

TYR

THR

ASP

6

ALA

ASN

LYS

ASN

LYS

GLY

ILE

THR

TRP

LYS

7

GLU

THR

LEU

MET

GLU

TYR

LEU

GLU

ASN

8

PRO

LYS

TYR

ILE

PRO

GLY

THR

LYS

MET

9

ILE

PHE

ALA

GLY

ILE

LYS

THR

GLU

10

ARG

GLU

ASP

LEU

ILE

ALA

TYR

LEU

LYS

11

ALA

THR

ASN

GLU

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

1

HEM

Samples:

sample_1: oxidized cytochrome c 2 mM; PROTOPORPHYRIN IX CONTAINING FE 2 mM; acetonitrile 30%; H2O 70%

Ex-cond_1: pH*: 7.2; temperature: 293 K

Ex-cond_2: pH*: 7.2; temperature: 313 K

Experiments:

Name	Sample	Sample state	Sample conditions
1H NOESY	sample_1	not available	not available

Software:

FELIX v2000 - spectral processing, spectral analysis

NMR spectrometers:

Varian Mercury 300 MHz
home made . 500 MHz
home made . 600 MHz

SWISS-PROT	P68097 P68096 P00004
REF	XP_001498872
PRF	610169A
GenBank	AAB33495
PDB	2PCB 2GIW 2FRC 1WEJ 1U75 1OCD 1M60 1LC2 1LC1 1I5T 1HRC 1GIW 1FI9 1FI7 1CRC 1AKK
BMRB	948 947 946 944 673 672 665 645 630 5830 5829 5828 5827 546 545 544 543 5372 5026 499 4810 4809 4808 4805 439 438 437 436 4189 336 317 316 286 285 274 244 243 2368 2367 2366 224 220 216 1789 1787 1785 1783 1736 1404 1171 1170 1116 1114 1113 1112 1111 1110 1109 1108 1107 1058