BMRB Entry 4761

Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR4761

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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:

Magnetic Susceptibility Tensor and Heme Contact Shifts Determinations in the Rhodobacter capsulatus Ferricytochrome c': NMR and Magnetic Susceptibility Studies

Deposition date:

2000-06-14

Original release date:

2001-08-09

Authors:

Tsan, Pascale; Caffrey, Michael; Lawson Daku, Max; Cusanovich, Michael; Marion, Dominique; Gans, Pierre

Citation:

Citation: Tsan, Pascale; Caffrey, Michael; Lawson Daku, Max; Cusanovich, Michael; Marion, Dominique; Gans, Pierre. "Magnetic Susceptibility Tensor and Heme Contact Shifts Determinations in the Rhodobacter capsulatus Ferricytochrome c': NMR and Magnetic Susceptibility Studies" J. Am. Chem. Soc. 123, 2231-2242 (2001).

Assembly members:

Assembly members:
cytochrome c', polymer, 129 residues, Formula weight is not available
HEC, non-polymer, 618.503 Da.

Natural source:

Natural source: Common Name: not available Taxonomy ID: 1061 Superkingdom: Bacteria Kingdom: not available Genus/species: Rhodobacter capsulatus

Experimental source:

Experimental source: Production method: purified from the natural source

Entity Sequences (FASTA):

Entity Sequences (FASTA):
cytochrome c': ADTKEVLEAREAYFKSLGGS MKAMTGVAKAFDAEAAKAEA AKLEKILATDVAPLFPAGTS STDLPGQTEAKAAIWANMDD FGAKGKAMHEAGGAVIAAAN AGDGAAFGAALQKLGGTCKA CHDDYREED

Data sets:

assigned_chemical_shifts
- cs_set_1

Data type	Count
15N chemical shifts	130
1H chemical shifts	725

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	apocytochrome c'	1
2	protoporphyrin IX, heme	2

Entities:

Entity 1, apocytochrome c' 129 residues - Formula weight is not available

1

ALA

ASP

THR

LYS

GLU

VAL

LEU

GLU

ALA

ARG

2

GLU

ALA

TYR

PHE

LYS

SER

LEU

GLY

SER

3

MET

LYS

ALA

MET

THR

GLY

VAL

ALA

LYS

ALA

4

PHE

ASP

ALA

GLU

ALA

LYS

ALA

GLU

ALA

5

ALA

LYS

LEU

GLU

LYS

ILE

LEU

ALA

THR

ASP

6

VAL

ALA

PRO

LEU

PHE

PRO

ALA

GLY

THR

SER

7

SER

THR

ASP

LEU

PRO

GLY

GLN

THR

GLU

ALA

8

LYS

ALA

ILE

TRP

ALA

ASN

MET

ASP

9

PHE

GLY

ALA

LYS

GLY

LYS

ALA

MET

HIS

GLU

10

ALA

GLY

ALA

VAL

ILE

ALA

ASN

11

ALA

GLY

ASP

GLY

ALA

PHE

GLY

ALA

12

LEU

GLN

LYS

LEU

GLY

THR

CYS

LYS

ALA

13

CYS

HIS

ASP

TYR

ARG

GLU

ASP

Entity 2, protoporphyrin IX, heme - C34 H34 Fe N4 O4 - 618.503 Da.

1

HEC

Samples:

sample_1: cytochrome c', [U-95 % 15N], 7 mM; potassium phosphate 100 mM; sodium hydrosulfite mM; carbon monoxide mM

cond_1: pH: .; temperature: . K

Experiments:

Name	Sample	Sample state	Sample conditions
not available	sample_1	not available	cond_1

Software:

No software information available

NMR spectrometers:

unknown unknown 0 MHz

PDB	1CPQ 1CPR 1EKY 1NBB 1RCP
GB	AAF37605 ADE86412 ETD00662 ETD75294 ETD82072
REF	WP_013068391 WP_023921469 YP_003578819