BMRB Entry 50369

Name: Human AK3 apo-form
Published: 2020-08-25

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50369

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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:

Human AK3 apo-form

Deposition date:

2020-06-29

Original release date:

2020-08-25

Authors:

Rogne, Per; Goodman, Jack; Wolf-Watz, Magnus

Citation:

Citation: Rogne, Per; Dulko-Smith, Beata; Goodman, Jack; Rosselin, Marie; Grundstrom, Christin; Hedberg, Christian; Nam, Kwangho; Sauer-Eriksson, Elisabeth; Wolf-Watz, Magnus. "Structural basis for GTP versus ATP selectivity in the NMP kinase AK3" Biochemistry 59, 3570-3581 (2020).
PubMed: 32822537

Assembly members:

Assembly members:
entity_1, polymer, 227 residues, 25565 Da.
entity_MG, non-polymer, 24.305 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: recombinant technology Host organism: Escherichia coli Vector: pET24d-AK3

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MGASARLLRAVIMGAPGSGK GTVSSRITTHFELKHLSSGD LLRDNMLRGTEIGVLAKAFI DQGKLIPDDVMTRLALHELK NLTQYSWLLDGFPRTLPQAE ALDRAYQIDTVINLNVPFEV IKQRLTARWIHPASGRVYNI EFNPPKTVGIDDLTGEPLIQ REDDKPETVIKRLKAYEDQT KPVLEYYQKKGVLETFSGTE TNKIWPYVYAFLQTKVPQRS QKASVTP

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	545
15N chemical shifts	191
1H chemical shifts	191

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	AK3	1
2	Mg2+	2

Entities:

Entity 1, AK3 227 residues - 25565 Da.

1

MET

GLY

ALA

SER

ALA

ARG

LEU

ARG

ALA

2

VAL

ILE

MET

GLY

ALA

PRO

GLY

SER

GLY

LYS

3

GLY

THR

VAL

SER

ARG

ILE

THR

HIS

4

PHE

GLU

LEU

LYS

HIS

LEU

SER

GLY

ASP

5

LEU

ARG

ASP

ASN

MET

LEU

ARG

GLY

THR

6

GLU

ILE

GLY

VAL

LEU

ALA

LYS

ALA

PHE

ILE

7

ASP

GLN

GLY

LYS

LEU

ILE

PRO

ASP

VAL

8

MET

THR

ARG

LEU

ALA

LEU

HIS

GLU

LEU

LYS

9

ASN

LEU

THR

GLN

TYR

SER

TRP

LEU

ASP

10

GLY

PHE

PRO

ARG

THR

LEU

PRO

GLN

ALA

GLU

11

ALA

LEU

ASP

ARG

ALA

TYR

GLN

ILE

ASP

THR

12

VAL

ILE

ASN

LEU

ASN

VAL

PRO

PHE

GLU

VAL

13

ILE

LYS

GLN

ARG

LEU

THR

ALA

ARG

TRP

ILE

14

HIS

PRO

ALA

SER

GLY

ARG

VAL

TYR

ASN

ILE

15

GLU

PHE

ASN

PRO

LYS

THR

VAL

GLY

ILE

16

ASP

LEU

THR

GLY

GLU

PRO

LEU

ILE

GLN

17

ARG

GLU

ASP

LYS

PRO

GLU

THR

VAL

ILE

18

LYS

ARG

LEU

LYS

ALA

TYR

GLU

ASP

GLN

THR

19

LYS

PRO

VAL

LEU

GLU

TYR

GLN

LYS

20

GLY

VAL

LEU

GLU

THR

PHE

SER

GLY

THR

GLU

21

THR

ASN

LYS

ILE

TRP

PRO

TYR

VAL

TYR

ALA

22

PHE

LEU

GLN

THR

LYS

VAL

PRO

GLN

ARG

SER

23

GLN

LYS

ALA

SER

VAL

THR

PRO

Entity 2, Mg2+ - Mg - 24.305 Da.

1

MG

Samples:

sample_1: Human AK3, [U-100% 13C; U-100% 15N; U-80% 2H], 700 uM; MOPS 30 mM; sodium chloride 50 mM

sample_conditions_1: ionic strength: 0.05 M; pH: 7; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D HNCO	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	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 HNCACB	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN v3.6 - collection

MddNMR - processing

CYANA - chemical shift assignment

CARA - chemical shift assignment

NMR spectrometers:

Bruker AVANCE III 800 MHz

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