BMRB Entry 25660

Name: NMR structure of the Y48pCMF variant of human cytochrome c in its reduced state
Published: 2016-12-08

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PDB ID: 2n3y
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25660
MolProbity Validation Chart

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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:

NMR structure of the Y48pCMF variant of human cytochrome c in its reduced state

Deposition date:

2015-06-15

Original release date:

2016-12-08

Authors:

Moreno-Beltran, Blas; Del Conte, Rebecca; Diaz-Quintana, Antonio; De la Rosa, Miguel; Turano, Paola; Diaz-Moreno, Irene

Citation:

Citation: Diaz-Moreno, Irene. "NMR structure of the Y48pCMF variant of human cytochrome c in its reduced state" Nat. Struct. Biol. ., .-..

Assembly members:

Assembly members:
entity, polymer, 104 residues, 12504.514 Da.
PROTOPORPHYRIN IX CONTAINING FE, non-polymer, 616.487 Da.

Natural source:

Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pCcY48AMBER

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: GDVEKGKKIFIMKCSQCHTV EKGGKHKTGPNLHGLFGRKT GQAPGYSXTAANKNKGIIWG EDTLMEYLENPKKYIPGTKM IFVGIKKKEERADLIAYLKK ATNE

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	423
15N chemical shifts	95
1H chemical shifts	745

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity	1
2	PROTOPORPHYRIN IX CONTAINING FE	2

Entities:

Entity 1, entity 104 residues - 12504.514 Da.

1

GLY

ASP

VAL

GLU

LYS

GLY

LYS

ILE

PHE

2

ILE

MET

LYS

CYS

SER

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

TYR

SER

CMF

THR

ALA

6

ALA

ASN

LYS

ASN

LYS

GLY

ILE

TRP

GLY

7

GLU

ASP

THR

LEU

MET

GLU

TYR

LEU

GLU

ASN

8

PRO

LYS

TYR

ILE

PRO

GLY

THR

LYS

MET

9

ILE

PHE

VAL

GLY

ILE

LYS

GLU

10

ARG

ALA

ASP

LEU

ILE

ALA

TYR

LEU

LYS

11

ALA

THR

ASN

GLU

Entity 2, PROTOPORPHYRIN IX CONTAINING FE - C34 H32 Fe N4 O4 - 616.487 Da.

1

HEM

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_2	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_2	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_2	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H COSY	sample_3	isotropic	sample_conditions_1
2D 1H-13C HSQC aromatic	sample_3	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_1	isotropic	sample_conditions_1

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks

BMRB Entry 25660

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers: