BMRB Entry 17621

Name: Solution structure of the EF-hand domain of Human Polycystin 2
Published: 2011-12-20

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PDB ID: 2y4q
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17621
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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 the EF-hand domain of Human Polycystin 2

Deposition date:

2011-05-04

Original release date:

2011-12-20

Authors:

Allen, Mark; Qamar, S.; Sandford, R.

Citation:

Citation: Allen, Mark; Qamar, S.; Sandford, R.. "Solution structure of the EF-hand domain of Human Polycystin 2" To Be Published ., .-..

Assembly members:

Assembly members:
POLYCYSTIN-2, polymer, 79 residues, 9036.6057 Da.
CA, non-polymer, 40.078 Da.

Natural source:

Natural source: Common Name: human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source:

Experimental source: Production method: chemical synthesis Host organism: unknown

Entity Sequences (FASTA):

Entity Sequences (FASTA):
POLYCYSTIN-2: GGSLKKNTVDDISESLRQGG GKLNFDELRQDLKGKGHTDA EIEAIFTKYDQDGDQELTEH EHQQMRDDLEKEREDLDLD

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list

Data type	Count
13C chemical shifts	152
15N chemical shifts	69
1H chemical shifts	360

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	POLYCYSTIN-2	1
2	Calcium Ion	2

Entities:

Entity 1, POLYCYSTIN-2 79 residues - 9036.6057 Da.

1

GLY

SER

LEU

LYS

ASN

THR

VAL

ASP

2

ASP

ILE

SER

GLU

SER

LEU

ARG

GLN

GLY

3

GLY

LYS

LEU

ASN

PHE

ASP

GLU

LEU

ARG

GLN

4

ASP

LEU

LYS

GLY

LYS

GLY

HIS

THR

ASP

ALA

5

GLU

ILE

GLU

ALA

ILE

PHE

THR

LYS

TYR

ASP

6

GLN

ASP

GLY

ASP

GLN

GLU

LEU

THR

GLU

HIS

7

GLU

HIS

GLN

MET

ARG

ASP

LEU

GLU

8

LYS

GLU

ARG

GLU

ASP

LEU

ASP

LEU

ASP

Entity 2, Calcium Ion - Ca - 40.078 Da.

1

CA

Samples:

sample_1: POLYCYSTIN-2, [U-13C; U-15N], 1.5 mM; H2O 95%; D2O 5%; Potassium phosphate 20 mM; NaCl 100 mM

sample_conditions_1: ionic strength: 150.000 mM; pH: 6.500; pressure: 1 atm; temperature: 298.000 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D NOESY	sample_1	solution	sample_conditions_1
2D TOCSY	sample_1	solution	sample_conditions_1
2D DQF COSY	sample_1	solution	sample_conditions_1
2D HSQC 15N	sample_1	solution	sample_conditions_1
2D HSQC 13C	sample_1	solution	sample_conditions_1
3D HNCACB	sample_1	solution	sample_conditions_1
3D CBCACONH	sample_1	solution	sample_conditions_1
3D HNCO	sample_1	solution	sample_conditions_1
3D HNCACO	sample_1	solution	sample_conditions_1
3D HBHACONH	sample_1	solution	sample_conditions_1
3D HNHB	sample_1	solution	sample_conditions_1

Software:

AutoDep v4.3, PDBe - collection

CNS vany, Brunger, Adams, Clore, Gros, Nilges and Read - chemical shift assignment

CNS v1.2, BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- - chemical shift assignment

NMR spectrometers:

Bruker Avance 800 MHz

UNP	PKD2_HUMAN
BMRB	16191 16590 18268
PDB	2KLD 2KLE 2KQ6 2Y4Q
DBJ	BAG56956 BAG57494
EMBL	CAG31243 CAI38797
GB	AAC16004 AAC50520 AAC50933 AAI11455 AAI12262
REF	NP_000288 NP_001026311 NP_001039777 NP_001232908 XP_001099242
SP	Q13563 Q4GZT3
TPG	DAA28806
AlphaFold	Q2M1Q5 Q13563 Q4GZT3