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Chlorine in PDB 6i82: Crystal Structure of Partially Phosphorylated Ret V804M Tyrosine Kinase Domain Complexed with PDD00018412

Enzymatic activity of Crystal Structure of Partially Phosphorylated Ret V804M Tyrosine Kinase Domain Complexed with PDD00018412

All present enzymatic activity of Crystal Structure of Partially Phosphorylated Ret V804M Tyrosine Kinase Domain Complexed with PDD00018412:
2.7.10.1;

Protein crystallography data

The structure of Crystal Structure of Partially Phosphorylated Ret V804M Tyrosine Kinase Domain Complexed with PDD00018412, PDB code: 6i82 was solved by D.Burschowsky, C.Seewooruthun, R.Bayliss, M.D.Carr, A.Echalier, A.M.Jordan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.89 / 2.05
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 50.675, 80.336, 79.740, 90.00, 99.87, 90.00
R / Rfree (%) 17.6 / 22.9

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Partially Phosphorylated Ret V804M Tyrosine Kinase Domain Complexed with PDD00018412 (pdb code 6i82). 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 Partially Phosphorylated Ret V804M Tyrosine Kinase Domain Complexed with PDD00018412, PDB code: 6i82:

Chlorine binding site 1 out of 1 in 6i82

Go back to Chlorine Binding Sites List in 6i82
Chlorine binding site 1 out of 1 in the Crystal Structure of Partially Phosphorylated Ret V804M Tyrosine Kinase Domain Complexed with PDD00018412


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 Partially Phosphorylated Ret V804M Tyrosine Kinase Domain Complexed with PDD00018412 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1101

b:42.3
occ:1.00
 OE2 B:GLU775 2.7 40.1 1.0
N2 B:H6W1102 3.1 27.7 1.0
N B:ASP892 3.1 21.6 1.0
C5 B:H6W1102 3.3 27.7 1.0
CE B:MET804 3.4 50.1 1.0
CD B:GLU775 3.6 39.4 1.0
C4 B:H6W1102 3.8 25.1 1.0
CA B:ASP892 3.8 23.0 1.0
CB B:SER891 3.9 22.3 1.0
NZ B:LYS758 4.0 48.8 1.0
SD B:MET804 4.0 45.7 1.0
OE1 B:GLU775 4.0 48.0 1.0
C B:SER891 4.1 22.0 1.0
CA B:SER891 4.2 21.7 1.0
CD B:LYS758 4.2 35.9 1.0
C6 B:H6W1102 4.2 23.9 1.0
CG2 B:ILE788 4.5 23.6 1.0
C7 B:H6W1102 4.6 27.8 1.0
CG B:ASP892 4.6 24.4 1.0
N B:PHE893 4.6 22.1 1.0
OD2 B:ASP892 4.7 26.1 1.0
CE B:LYS758 4.7 38.4 1.0
OG B:SER891 4.7 23.2 1.0
OD1 B:ASP892 4.8 26.7 1.0
C B:ASP892 4.8 21.9 1.0
CG B:GLU775 4.8 33.8 1.0
CB B:ASP892 4.9 23.6 1.0
C3 B:H6W1102 5.0 23.8 1.0

Reference:

A.M.Jordan, R.Newton, B.Waszkowycz, R.Bayliss, H.Begum, D.Burschowsky, A.Echalier, E.French, N.Hamilton, S.Hitchin, C.Hutton, S.Jones, L.Lin, M.Richards, C.Seewooruthun, I.Waddell, M.Watson, D.Ogilvie. Discovery and Optimisation of Wt-Ret/Kdr-Selective Inhibitors of RETV804M Kinase Acs Med.Chem.Lett. 2020.
ISSN: ISSN 1948-5875
DOI: 10.1021/ACSMEDCHEMLETT.9B00615
Page generated: Sun Jul 28 01:36:58 2024

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