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Chlorine 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:

Magnesium (Mg) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total only one binding site of Chlorine 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:

Chlorine binding site 1 out of 1 in 6qf4

Go back to Chlorine Binding Sites List in 6qf4
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl402

b:77.3
occ:1.00
 HE A:ARG48 3.2 44.7 1.0
HG11 A:VAL46 3.8 43.1 1.0
HD2 A:ARG48 4.0 45.2 1.0
NE A:ARG48 4.0 37.2 1.0
HD13 A:LEU34 4.2 51.8 1.0
HB A:VAL46 4.3 42.6 1.0
CE1 A:PHE63 4.4 35.1 1.0
HH21 A:ARG48 4.4 49.2 1.0
HB2 A:ARG48 4.4 38.9 1.0
HG12 A:VAL46 4.4 43.1 1.0
CG1 A:VAL46 4.5 35.9 1.0
HE1 A:PHE63 4.5 42.1 1.0
CD1 A:PHE63 4.5 32.2 1.0
CD A:ARG48 4.5 37.7 1.0
CZ A:PHE63 4.6 34.6 1.0
HB3 A:ARG48 4.6 38.9 1.0
O A:HOH530 4.7 36.8 1.0
HD1 A:PHE63 4.8 38.6 1.0
HD11 A:LEU34 4.8 51.8 1.0
HZ A:PHE63 4.8 41.6 1.0
HG21 A:VAL46 4.8 49.0 1.0
CG A:PHE63 4.9 32.5 1.0
CB A:VAL46 4.9 35.5 1.0
CE2 A:PHE63 4.9 32.6 1.0
CD1 A:LEU34 4.9 43.1 1.0
CB A:ARG48 4.9 32.4 1.0
CZ A:ARG48 5.0 39.1 1.0
HH22 A:ARG41 5.0 59.1 1.0
NH2 A:ARG48 5.0 41.0 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: Mon Jul 29 13:55:52 2024

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