BMRB Entry 4566

Name: Assignment of 1H,13C and 15N signals of Bovine Adrenodoxin
Published: 2000-09-25

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PDB ID: 1l6u
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR4566
MolProbity Validation Chart

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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Assignment of 1H,13C and 15N signals of Bovine Adrenodoxin

Deposition date:

1999-12-14

Original release date:

2000-09-25

Authors:

Weiss, Roland; Brachais, Laurent; Loehr, Frank; Hartleib, Judith; Bernhardt, Rita; Rueterjans, Heinz

Citation:

Citation: Weiss, Roland; Brachais, Laurent; Lohr, Frank; Hartleib, Judith; Bernhardt, Rita; Rueterjans, Heinz. "Letter to the Editor: Assignment of 1H, 13C and 15N signals of bovine adrenodoxin" J. Biomol. NMR 17, 355-356 (2000).

Assembly members:

Assembly members:
bovine adrenodoxin, polymer, 128 residues, Formula weight is not available
FES, non-polymer, 175.820 Da.

Natural source:

Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli

Experimental source:

Experimental source: Production method: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
bovine adrenodoxin: SSSEDKITVHFINRDGETLT TKGKIGDSLLDVVVQNNLDI DGFGACEGTLACSTCHLIFE QHIFEKLEAITDEENDMLDL AYGLTDRSRLGCQICLTKAM DNMTVRVPDAVSDARESIDM GMNSSKIE

Data sets:

assigned_chemical_shifts
- bAdx1

Data type	Count
1H chemical shifts	576
13C chemical shifts	415
15N chemical shifts	106

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	bovine adrenodoxin	1
2	2[FeS]	2

Entities:

Entity 1, bovine adrenodoxin 128 residues - Formula weight is not available

1

SER

GLU

ASP

LYS

ILE

THR

VAL

HIS

2

PHE

ILE

ASN

ARG

ASP

GLY

GLU

THR

LEU

THR

3

THR

LYS

GLY

LYS

ILE

GLY

ASP

SER

LEU

4

ASP

VAL

GLN

ASN

LEU

ASP

ILE

5

ASP

GLY

PHE

GLY

ALA

CYS

GLU

GLY

THR

LEU

6

ALA

CYS

SER

THR

CYS

HIS

LEU

ILE

PHE

GLU

7

GLN

HIS

ILE

PHE

GLU

LYS

LEU

GLU

ALA

ILE

8

THR

ASP

GLU

ASN

ASP

MET

LEU

ASP

LEU

9

ALA

TYR

GLY

LEU

THR

ASP

ARG

SER

ARG

LEU

10

GLY

CYS

GLN

ILE

CYS

LEU

THR

LYS

ALA

MET

11

ASP

ASN

MET

THR

VAL

ARG

VAL

PRO

ASP

ALA

12

VAL

SER

ASP

ALA

ARG

GLU

SER

ILE

ASP

MET

13

GLY

MET

ASN

SER

LYS

ILE

GLU

Entity 2, 2[FeS] - Fe2 S2 - 175.820 Da.

1

FES

Samples:

sample_1: bovine adrenodoxin, [U-100% 13C; U-100% 15N], 1.0 – 4.0 mM; D2O 5%

sample_2: bovine adrenodoxin, [U-100% 15N], 1.0 – 4.0 mM; D2O 5%

cond_1: pH: 7.4; temperature: 300 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D-TOCSY-(15N,1H)HSQC	not available	not available	cond_1
3D-NOESY-(15N,1H)HSQC	not available	not available	cond_1
3D-HNHB	not available	not available	cond_1
HNCA	not available	not available	cond_1
HN(CO)CA	not available	not available	cond_1
H(N)CA,CO	not available	not available	cond_1
HNCACB	not available	not available	cond_1
HCACO	not available	not available	cond_1
HNCO	not available	not available	cond_1
(HCA)CO(CA)NH	not available	not available	cond_1
HBHA(CO)NH	not available	not available	cond_1
HCCH-TOCSY	not available	not available	cond_1
HCCC(O)NH	not available	not available	cond_1

Software:

No software information available

NMR spectrometers:

Bruker DMX 500 MHz
Bruker DMX Avance 600 MHz

PDB	1AYF 1CJE 1E6E 1L6U 1L6V 2BT6 2JQR
DBJ	BAA00362 BAA00363
GB	AAA30357 AAA30358 AAB21264 AAI09850 ABQ13041
REF	NP_851354 XP_004329468 XP_005889885 XP_006072637 XP_010861227
SP	P00257
TPG	DAA22428
AlphaFold	P00257 P00257