BMRB Entry 27737

Name: 15N, 13C and 1H backbone resonance assignments of FKBP12 protein from the pathogenic fungi Mucor circinelloides bound to FK506
Published: 2019-03-08

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR27737

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

Select model:

I am color blind

Download raw data. Direct link to this display. Help

Title:

15N, 13C and 1H backbone resonance assignments of FKBP12 protein from the pathogenic fungi Mucor circinelloides bound to FK506

Deposition date:

2018-12-20

Original release date:

2019-03-08

Authors:

Gobeil, Sophie; Bobay, Benjamin; Spicer, Leonard; Venters, Ronald

Citation:

Citation: Gobeil, Sophie; Bobay, Benjamin; Spicer, Leonard; Venters, Ronald. "15N, 13C and 1H resonance assignments of FKBP12 proteins from the pathogenic fungi Mucor circinelloides and Aspergillus fumigatus" Biomol. NMR Assignments 13, 207-212 (2019).
PubMed: 30707421

Assembly members:

Assembly members:
FKBP12, polymer, 108 residues, Formula weight is not available
8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, non-polymer, 804.018 Da.

Natural source:

Natural source: Common Name: Mucor circinelloides Taxonomy ID: 36080 Superkingdom: Eukaryota Kingdom: Fungi Genus/species: Mucor circinelloides

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET-15b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
FKBP12: MGVTVERIAPGDGKNFPKKG DKVTIHYVGTLENGDKFDSS RDRGSPFQCTIGVGQVIKGW DEGVTQLSVGEKARLICTHD YAYGERGYPGLIPPKATLNF EVELIKIN

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	353
15N chemical shifts	100
1H chemical shifts	438

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	FKBP12	1
2	Tacrolimus	2

Entities:

Entity 1, FKBP12 108 residues - Formula weight is not available

1

MET

GLY

VAL

THR

VAL

GLU

ARG

ILE

ALA

PRO

2

GLY

ASP

GLY

LYS

ASN

PHE

PRO

LYS

GLY

3

ASP

LYS

VAL

THR

ILE

HIS

TYR

VAL

GLY

THR

4

LEU

GLU

ASN

GLY

ASP

LYS

PHE

ASP

SER

5

ARG

ASP

ARG

GLY

SER

PRO

PHE

GLN

CYS

THR

6

ILE

GLY

VAL

GLY

GLN

VAL

ILE

LYS

GLY

TRP

7

ASP

GLU

GLY

VAL

THR

GLN

LEU

SER

VAL

GLY

8

GLU

LYS

ALA

ARG

LEU

ILE

CYS

THR

HIS

ASP

9

TYR

ALA

TYR

GLY

GLU

ARG

GLY

TYR

PRO

GLY

10

LEU

ILE

PRO

LYS

ALA

THR

LEU

ASN

PHE

11

GLU

VAL

GLU

LEU

ILE

LYS

ILE

ASN

Entity 2, Tacrolimus - C44 H69 N O12 - 804.018 Da.

1

FK5

Samples:

sample_1: FKBP12, [U-98% 13C; U-98% 15N], 0.5 mM; Tacrolimus 1.0 mM; sodium phosphate 20 mM; sodium chloride 100 mM; sodium azide 0.02%

sample_conditions_1: ionic strength: 100 mM; pH: 6.0; pressure: 1 atm; temperature: 273 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	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 HNHA	sample_1	isotropic	sample_conditions_1
3D HN(COCA)CB	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1

Software:

AutoAssign, Zimmerman, Moseley, Kulikowski and Montelione - chemical shift assignment

NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMRView, Johnson, One Moon Scientific - chemical shift assignment, peak picking

PINE, Bahrami, Markley, Assadi, and Eghbalnia - chemical shift assignment

SPARKY, Goddard - data analysis, peak picking

TOPSPIN, Bruker Biospin - collection

VNMRJ, Varian - collection

NMR spectrometers:

Bruker Avance 600 MHz