Chlorine in PDB 6d1z: Crystal Structure of Tyrosine-Protein Kinase Receptor in Complex with 5-(4-Fluorophenyl)Thieno[2,3-D]Pyrimidin-4(3H)-One Inhibitor

Enzymatic activity of Crystal Structure of Tyrosine-Protein Kinase Receptor in Complex with 5-(4-Fluorophenyl)Thieno[2,3-D]Pyrimidin-4(3H)-One Inhibitor

All present enzymatic activity of Crystal Structure of Tyrosine-Protein Kinase Receptor in Complex with 5-(4-Fluorophenyl)Thieno[2,3-D]Pyrimidin-4(3H)-One Inhibitor:
2.7.10.1;

Protein crystallography data

The structure of Crystal Structure of Tyrosine-Protein Kinase Receptor in Complex with 5-(4-Fluorophenyl)Thieno[2,3-D]Pyrimidin-4(3H)-One Inhibitor, PDB code: 6d1z was solved by S.E.Greasley, E.Johnson, M.L.Kraus, C.N.Cronin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.15 / 1.87
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 113.150, 45.660, 78.880, 90.00, 126.88, 90.00
R / Rfree (%) 17.8 / 21

Other elements in 6d1z:

The structure of Crystal Structure of Tyrosine-Protein Kinase Receptor in Complex with 5-(4-Fluorophenyl)Thieno[2,3-D]Pyrimidin-4(3H)-One Inhibitor also contains other interesting chemical elements:

Fluorine (F) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Tyrosine-Protein Kinase Receptor in Complex with 5-(4-Fluorophenyl)Thieno[2,3-D]Pyrimidin-4(3H)-One Inhibitor (pdb code 6d1z). 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 Crystal Structure of Tyrosine-Protein Kinase Receptor in Complex with 5-(4-Fluorophenyl)Thieno[2,3-D]Pyrimidin-4(3H)-One Inhibitor, PDB code: 6d1z:

Chlorine binding site 1 out of 1 in 6d1z

Go back to Chlorine Binding Sites List in 6d1z
Chlorine binding site 1 out of 1 in the Crystal Structure of Tyrosine-Protein Kinase Receptor in Complex with 5-(4-Fluorophenyl)Thieno[2,3-D]Pyrimidin-4(3H)-One Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Tyrosine-Protein Kinase Receptor in Complex with 5-(4-Fluorophenyl)Thieno[2,3-D]Pyrimidin-4(3H)-One Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl803

b:21.7
occ:1.00
 CL1 A:FQM803 0.0 21.7 1.0
C16 A:FQM803 1.7 21.1 1.0
C8 A:FQM803 2.7 19.2 1.0
C14 A:FQM803 2.7 19.8 1.0
C21 A:FQM803 3.0 23.1 1.0
O29 A:FQM803 3.1 23.1 1.0
O A:HIS648 3.2 18.4 1.0
O A:HOH989 3.3 20.8 1.0
CA A:GLY485 3.5 28.2 1.0
CE1 A:HIS648 3.6 18.0 1.0
NE2 A:HIS648 3.6 18.3 1.0
N A:GLY485 3.7 29.4 1.0
CG A:HIS648 3.7 17.7 1.0
CD2 A:HIS648 3.7 18.5 1.0
ND1 A:HIS648 3.7 18.8 1.0
CE1 A:PHE646 3.8 23.5 1.0
CZ A:PHE646 3.8 25.3 1.0
CA A:HIS648 3.9 15.7 1.0
C A:HIS648 4.0 20.5 1.0
C5 A:FQM803 4.0 17.7 1.0
N A:LEU486 4.0 27.1 1.0
C11 A:FQM803 4.0 18.3 1.0
N28 A:FQM803 4.1 22.0 1.0
C A:GLY485 4.1 30.9 1.0
O A:HOH1002 4.2 27.1 1.0
CB A:HIS648 4.3 15.1 1.0
C13 A:FQM803 4.5 18.6 1.0
O A:HOH939 4.9 17.0 1.0
O A:VAL647 4.9 22.2 1.0
C A:SER484 4.9 34.0 1.0
OD2 A:ASP668 5.0 22.5 1.0
C20 A:FQM803 5.0 26.5 1.0

Reference:

S.K.Bagal, K.Omoto, D.C.Blakemore, P.J.Bungay, J.G.Bilsland, P.J.Clarke, M.S.Corbett, C.N.Cronin, J.J.Cui, R.Dias, N.J.Flanagan, S.E.Greasley, R.Grimley, E.Johnson, D.Fengas, L.Kitching, M.L.Kraus, I.Mcalpine, A.Nagata, G.J.Waldron, J.S.Warmus. Discovery of Allosteric, Potent, Subtype Selective, and Peripherally Restricted Trka Kinase Inhibitors. J. Med. Chem. V. 62 247 2019.
ISSN: ISSN 1520-4804
PubMed: 29672039
DOI: 10.1021/ACS.JMEDCHEM.8B00280
Page generated: Sat Dec 12 12:51:59 2020

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