BMRB Entry 4809

Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR4809

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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:

1H, 13C and 15N chemical shifts of bovine ferrous cytochrome b5-N17D in complex with horse heart ferrous cytochrome c

Deposition date:

2000-08-14

Original release date:

2000-11-15

Authors:

Hom, Kellie; Ma, Qi-Feng; Wolfe, Gary; Zhang, Hong; Storch, Elizabeth; Daggett, Valerie; Basus, Vladimir; Waskell, Lucy

Citation:

Citation: Hom, Kellie; Ma, Qi-Feng; Wolfe, Gary; Zhang, Hong; Storch, Elizabeth; Daggett, Valerie; Basus, Vladimir; Waskell, Lucy. "NMR Studies of the Association of Cytochrome b5 with Cytochrome c" Biochemistry ., .-..

Assembly members:

Assembly members:
ferrous cytochrome b5, polymer, 82 residues, Formula weight is not available
cytochrome c, polymer, 104 residues, Formula weight is not available
HEM, non-polymer, 616.487 Da.
HEC, non-polymer, 618.503 Da.

Natural source:

Natural source: Common Name: bovine Taxonomy ID: 9913 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Bos taurus

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pUC19

Entity Sequences (FASTA):

Entity Sequences (FASTA):
ferrous cytochrome b5: AVKYYTLEEIQKHNDSKSTW LILHYKVYDLTKFLEEHPGG EEVLREQAGGDATENFEDVG HSTDARELSKTFIIGELHPD DR
cytochrome c: GDVEKGKKIFVQKCAQCHTV EKGGKHKTGPNLHGLFGRKT GQAPGFTYTDANKNKGITWK EETLMEYLENPKKYIPGTKM IFAGIKKKTEREDLIAYLKK ATNE

Data sets:

assigned_chemical_shifts
- shift_set_1

Data type	Count
1H chemical shifts	484
13C chemical shifts	211
15N chemical shifts	78

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	cytb5-N17D	1
2	cytc	2
3	heme	3
4	heme c	4

Entities:

Entity 1, cytb5-N17D 82 residues - Formula weight is not available

1

ALA

VAL

LYS

TYR

THR

LEU

GLU

ILE

2

GLN

LYS

HIS

ASN

ASP

SER

LYS

SER

THR

TRP

3

LEU

ILE

LEU

HIS

TYR

LYS

VAL

TYR

ASP

LEU

4

THR

LYS

PHE

LEU

GLU

HIS

PRO

GLY

5

GLU

VAL

LEU

ARG

GLU

GLN

ALA

GLY

6

ASP

ALA

THR

GLU

ASN

PHE

GLU

ASP

VAL

GLY

7

HIS

SER

THR

ASP

ALA

ARG

GLU

LEU

SER

LYS

8

THR

PHE

ILE

GLY

GLU

LEU

HIS

PRO

ASP

9

ASP

ARG

Entity 2, cytc 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 3, heme - C34 H32 Fe N4 O4 - 616.487 Da.

1

HEM

Entity 4, heme c - C34 H34 Fe N4 O4 - 618.503 Da.

1

HEC

Samples:

sample_1: ferrous cytochrome b5, [U-90% 13C; U-90% 15N], 0.8 mM; PROTOPORPHYRIN IX CONTAINING FE mM; cytochrome c mM

ex-cond_1: pH*: 6.5; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
15N-1H HSQC	sample_1	not available	ex-cond_1
13C-1H HSQC	sample_1	not available	ex-cond_1
HNCA	sample_1	not available	ex-cond_1
HCCH-TOCSY	sample_1	not available	ex-cond_1
2D-version of ct-HCACO	sample_1	not available	ex-cond_1
2D-version of HNCOCA	sample_1	not available	ex-cond_1
mq-HNCO	sample_1	not available	ex-cond_1

Software:

Striker - FID transformation

nmrPipe - FID transformation

Sparky v3.3.2 - Spectral analysis

NMR spectrometers:

Varian INOVA 600 MHz
Varian Unity plus 600 MHz

Related Database Links:

BMRB	1058 1107 1108 1109 1110 1111 1112 1113 1114 1116 1170 1171 1404 16759 17120 17215 17340 1736 1783 17847 17848 1785 1787 1789 216 220 224 2366 2367 2368 243 244 274 285 286 316 317 336 4189 436 437 438 439 4805 4808 4810 499 5026 5372 543 544 545 546 5660 5827 5828 5829 5830 630 645 649 665 672 673 944 946 947 948 948 947 946 944 673 672 665 645 630 5830 5829 5828 5827 5660 546 545 544 543 5372 5026 499 4810 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
PDB	1AKK 1CRC 1FI7 1FI9 1GIW 1HRC 1I5T 1LC1 1LC2 1M60 1OCD 1U75 1WEJ 2B4Z 2FRC 2GIW 2PCB 2YBB 3J2T 3NBS 3NBT 3O1Y 3O20 3WC8 3WUI 4NFG 4RSZ 2PCB 2GIW 2FRC 1WEJ 1U75 1OCD 1M60 1LC2 1LC1 1I5T 1HRC 1GIW 1FI9 1FI7 1CRC 1AKK
GB	AAB33495 AAI05398 AAX77008 ABA06541 AEB61027
PRF	610169A 711086A 610169A
REF	NP_001039526 NP_001123442 NP_001157486 XP_004007999 XP_004418964 XP_001498872
SP	P00004 P62894 P62895 P62896 P68096
TPG	DAA30512
SWISS-PROT	P68097 P68096 P00004
GenBank	AAB33495
AlphaFold	P00004 P62894 P62895 P62896 P68096

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