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Magnesium in PDB 6qf4: X-Ray Structure of Human Serine/Threonine Kinase 17B (STK17B) Aka DRAK2 in Complex with Adp Obtained By on-Chip Soaking

Enzymatic activity of X-Ray Structure of Human Serine/Threonine Kinase 17B (STK17B) Aka DRAK2 in Complex with Adp Obtained By on-Chip Soaking

All present enzymatic activity of X-Ray Structure of Human Serine/Threonine Kinase 17B (STK17B) Aka DRAK2 in Complex with Adp Obtained By on-Chip Soaking:
2.7.11.1;

Protein crystallography data

The structure of X-Ray Structure of Human Serine/Threonine Kinase 17B (STK17B) Aka DRAK2 in Complex with Adp Obtained By on-Chip Soaking, PDB code: 6qf4 was solved by J.Lieske, M.Cerv, S.Kreida, M.Barthelmess, P.Fischer, T.Pakendorf, O.Yefanov, V.Mariani, T.Seine, B.H.Ross, E.Crosas, O.Lorbeer, A.Burkhardt, T.J.Lane, S.Guenther, J.Bergtholdt, S.Schoen, S.Tornroth-Horsefield, H.N.Chapman, A.Meents, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.74 / 2.50
Space group P 41 2 2
Cell size a, b, c (Å), α, β, γ (°) 85.479, 85.479, 118.073, 90.00, 90.00, 90.00
R / Rfree (%) 18.3 / 22.7

Other elements in 6qf4:

The structure of X-Ray Structure of Human Serine/Threonine Kinase 17B (STK17B) Aka DRAK2 in Complex with Adp Obtained By on-Chip Soaking also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the X-Ray Structure of Human Serine/Threonine Kinase 17B (STK17B) Aka DRAK2 in Complex with Adp Obtained By on-Chip Soaking (pdb code 6qf4). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the X-Ray Structure of Human Serine/Threonine Kinase 17B (STK17B) Aka DRAK2 in Complex with Adp Obtained By on-Chip Soaking, PDB code: 6qf4:

Magnesium binding site 1 out of 1 in 6qf4

Go back to Magnesium Binding Sites List in 6qf4
Magnesium binding site 1 out of 1 in the X-Ray Structure of Human Serine/Threonine Kinase 17B (STK17B) Aka DRAK2 in Complex with Adp Obtained By on-Chip Soaking


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of X-Ray Structure of Human Serine/Threonine Kinase 17B (STK17B) Aka DRAK2 in Complex with Adp Obtained By on-Chip Soaking within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg401

b:30.2
occ:1.00
 OD2 A:ASP179 1.9 54.8 1.0
O1A A:ADP405 2.1 33.1 1.0
O3B A:ADP405 2.1 39.0 1.0
O A:HOH547 2.2 31.7 1.0
O A:HOH586 2.2 31.7 1.0
OD1 A:ASN163 2.3 35.8 1.0
HD21 A:ASN163 2.8 42.2 1.0
CG A:ASP179 3.1 45.5 1.0
CG A:ASN163 3.1 34.6 1.0
ND2 A:ASN163 3.3 35.1 1.0
PB A:ADP405 3.4 41.5 1.0
HB2 A:ASP179 3.4 48.7 1.0
PA A:ADP405 3.5 35.2 1.0
O A:HOH534 3.7 64.0 1.0
CB A:ASP179 3.7 40.6 1.0
O3A A:ADP405 3.7 41.3 1.0
HB3 A:ASP179 3.9 48.7 1.0
O2B A:ADP405 4.0 42.6 1.0
H5'2 A:ADP405 4.0 43.7 1.0
O A:HOH614 4.1 48.1 1.0
OD1 A:ASP179 4.1 48.1 1.0
HD22 A:ASN163 4.1 42.2 1.0
O2A A:ADP405 4.4 33.5 1.0
O A:HOH555 4.5 63.0 1.0
CB A:ASN163 4.6 33.2 1.0
O5' A:ADP405 4.6 36.0 1.0
O1B A:ADP405 4.6 41.2 1.0
HA A:ASN163 4.7 42.8 1.0
O A:HOH616 4.7 58.9 1.0
C5' A:ADP405 4.7 36.4 1.0
O A:HOH574 4.7 51.1 1.0
H3' A:ADP405 4.8 52.0 1.0
HB3 A:ASN163 4.8 39.8 1.0
O A:HOH506 4.9 47.4 1.0
OD2 A:ASP158 4.9 43.0 1.0
HE2 A:LYS160 4.9 75.2 1.0

Reference:

J.Lieske, M.Cerv, S.Kreida, D.Komadina, J.Fischer, M.Barthelmess, P.Fischer, T.Pakendorf, O.Yefanov, V.Mariani, T.Seine, B.H.Ross, E.Crosas, O.Lorbeer, A.Burkhardt, T.J.Lane, S.Guenther, J.Bergtholdt, S.Schoen, S.Tornroth-Horsefield, H.N.Chapman, A.Meents. On-Chip Crystallization For Serial Crystallography Experiments and on-Chip Ligand-Binding Studies. Iucrj V. 6 714 2019.
ISSN: ESSN 2052-2525
PubMed: 31316815
DOI: 10.1107/S2052252519007395
Page generated: Tue Oct 1 15:28:05 2024

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