BMRB Entry 5026

Name: Solution structure of cyanoferricytochrome C
Published: 2002-08-22

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PDB ID: 1i5t
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR5026
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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 cyanoferricytochrome C

Deposition date:

2001-05-21

Original release date:

2002-08-22

Authors:

Yao, Yong; Qian, Chengmin; Ye, Keqong; Wang, Jinfeng; Bai, Zhipin; Tang, Wenxia

Citation:

Citation: Yao, Yong; Qian, Chengmin; Ye, Keqong; Wang, Jinfeng; Bai, Zhipin; Tang, Wenxia. "Solution Structure of Cyanoferricytochrome C: Ligand-controlled Conformational Flexibility and Electronic Structure of the Heme Moiety" J. Biol. Inorg. Chem. 7, 539-547 (2002).
PubMed: 11941512

Assembly members:

Assembly members:
cytochrome C, polymer, 104 residues, Formula weight is not available
HEC, non-polymer, 618.503 Da.
CYANIDE ION, non-polymer, 26.017 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: purified from the natural source

Entity Sequences (FASTA):

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

Data sets:

assigned_chemical_shifts
- chemical_shift_set_1
- chemical_shift_set_2

Data type	Count
1H chemical shifts	722

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
3	CN	3

Entities:

Entity 1, cytochrome C 104 residues - Formula weight is not available

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 H34 Fe N4 O4 - 618.503 Da.

1

HEC

Entity 3, CN - C N - 26.017 Da.

1

CYN

Samples:

sample_1: cytochrome C 5 mM; potassium cyanide 50 mM; H2O 90%; D2O 10%

sample_2: cytochrome C 5 mM; potassium cyanide 50 mM; D2O 100%

sample_cond_1: pH: 7.0; temperature: 303 K

Experiments:

Name	Sample	Sample state	Sample conditions
not available	not available	not available	sample_cond_1

Software:

XWINNMR v2.6 - processing

DYANA v1.5 - structure solution

AMBER v5.0 - refinement

NMR spectrometers:

Bruker DRX 500 MHz

BMRB	1058 1107 1108 1109 1110 1111 1112 1113 1114 1116 1170 1171 1404 1736 1783 1785 1787 1789 216 220 224 2366 2367 2368 243 244 274 285 286 316 317 336 4189 436 437 438 439 4805 4808 4809 4810 499 5372 543 544 545 546 5660 5827 5828 5829 5830 630 645 665 672 673 944 946 947 948
PDB	1AKK 1CRC 1FI7 1FI9 1GIW 1HRC 1I5T 1LC1 1LC2 1M60 1OCD 1U75 1WEJ 2FRC 2GIW 2PCB
GenBank	AAB33495
PRF	610169A
REF	XP_001498872
SWISS-PROT	P00004 P68096 P68097