BMRB Entry 18278

Name: Solution Structure of FKBP12 from Aedes aegypti
Published: 2013-02-05

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PDB ID: 2lpv
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18278
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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 FKBP12 from Aedes aegypti

Deposition date:

2012-02-20

Original release date:

2013-02-05

Authors:

Chakraborty, Goutam; Shin, Joon

Citation:

Citation: Chakraborty, Goutam; Shin, Joon; Nguyen, Q.; Harikishore, A.; Baek, K.; Yoon, H.. "Solution structure of FK506-binding protein 12 from Aedes aegypti" Proteins 80, 2476-2481 (2012).
PubMed: 22806993

Assembly members:

Assembly members:
FKBP12, polymer, 108 residues, 11553.165 Da.

Natural source:

Natural source: Common Name: flies Taxonomy ID: 7159 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Aedes aegypti

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
FKBP12: MGVQVVTLAAGDEATYPKAG QVAVVHYTGTLADGKVFDSS RTRGKPFRFTVGRGEVIRGW DEGVAQMSVGQRAKLVCSPD YAYGSRGHPGVIPPNATLTF DVELLRVE

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	423
15N chemical shifts	104
1H chemical shifts	715

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	FKBP12 from Aedes aegypti	1

Entities:

Entity 1, FKBP12 from Aedes aegypti 108 residues - 11553.165 Da.

1

MET

GLY

VAL

GLN

VAL

THR

LEU

ALA

2

GLY

ASP

GLU

ALA

THR

TYR

PRO

LYS

ALA

GLY

3

GLN

VAL

ALA

VAL

HIS

TYR

THR

GLY

THR

4

LEU

ALA

ASP

GLY

LYS

VAL

PHE

ASP

SER

5

ARG

THR

ARG

GLY

LYS

PRO

PHE

ARG

PHE

THR

6

VAL

GLY

ARG

GLY

GLU

VAL

ILE

ARG

GLY

TRP

7

ASP

GLU

GLY

VAL

ALA

GLN

MET

SER

VAL

GLY

8

GLN

ARG

ALA

LYS

LEU

VAL

CYS

SER

PRO

ASP

9

TYR

ALA

TYR

GLY

SER

ARG

GLY

HIS

PRO

GLY

10

VAL

ILE

PRO

ASN

ALA

THR

LEU

THR

PHE

11

ASP

VAL

GLU

LEU

ARG

VAL

GLU

Samples:

sample_1: FKBP12, [U-15N], 0.5 mM; H2O 90%; D2O 10%

sample_2: FKBP12, [U-100% 13C; U-100% 15N], 0.5 mM; H2O 90%; D2O 10%

sample_3: FKBP12, [U-100% 13C; U-100% 15N], 0.5 mM; D2O 100%

sample_conditions_1: pH: 7; pressure: 1 atm; temperature: 298 K

Experiments:

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

Software:

TOPSPIN, Bruker Biospin - collection

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

SPARKY, Goddard - chemical shift assignment, data analysis, peak picking

CYANA, Guntert, Mumenthaler and Wuthrich - refinement, structure solution

Molmol, Koradi, Billeter and Wuthrich - Structure Visualization

NMR spectrometers:

Bruker Avance 700 MHz
Bruker Avance 600 MHz

PDB	2LPV 3UQI
GB	ABF18244 EAT40395 EJY57709 EJY57710
REF	XP_001652969 XP_011493401 XP_011493402