Chlorine in PDB 7khg: Crystal Structure of Kit Kinase Domain with A Small Molecule Inhibitor, PLX3397

Enzymatic activity of Crystal Structure of Kit Kinase Domain with A Small Molecule Inhibitor, PLX3397

All present enzymatic activity of Crystal Structure of Kit Kinase Domain with A Small Molecule Inhibitor, PLX3397:
2.7.10.1;

Protein crystallography data

The structure of Crystal Structure of Kit Kinase Domain with A Small Molecule Inhibitor, PLX3397, PDB code: 7khg was solved by Y.Zhang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 64.82 / 2.15
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 111.133, 81.961, 50.061, 90, 107.6, 90
R / Rfree (%) 18.2 / 20.3

Other elements in 7khg:

The structure of Crystal Structure of Kit Kinase Domain with A Small Molecule Inhibitor, PLX3397 also contains other interesting chemical elements:

Fluorine (F) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Kit Kinase Domain with A Small Molecule Inhibitor, PLX3397 (pdb code 7khg). 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 Kit Kinase Domain with A Small Molecule Inhibitor, PLX3397, PDB code: 7khg:

Chlorine binding site 1 out of 1 in 7khg

Go back to Chlorine Binding Sites List in 7khg
Chlorine binding site 1 out of 1 in the Crystal Structure of Kit Kinase Domain with A Small Molecule Inhibitor, PLX3397


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 Kit Kinase Domain with A Small Molecule Inhibitor, PLX3397 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1001

b:34.1
occ:1.00
CL1 A:P311001 0.0 34.1 1.0
C1 A:P311001 1.7 27.5 1.0
C5 A:P311001 2.7 24.5 1.0
C2 A:P311001 2.7 26.4 1.0
O A:HOH1114 3.6 36.1 1.0
CA A:GLY676 3.8 28.7 1.0
CB A:LEU595 4.0 28.2 1.0
C7 A:P311001 4.0 24.1 1.0
N4 A:P311001 4.0 27.2 1.0
CD2 A:LEU595 4.0 34.6 1.0
CG A:LEU595 4.3 33.0 1.0
CD1 A:LEU595 4.4 29.9 1.0
O A:LEU595 4.4 30.4 1.0
C8 A:P311001 4.4 25.5 1.0
O A:CYS673 4.6 31.5 1.0
CZ A:PHE811 4.6 29.5 1.0
C A:GLY676 4.6 27.9 1.0
N A:GLY676 4.7 31.4 1.0
CE2 A:PHE811 4.8 26.2 1.0
N A:ASP677 4.8 27.0 1.0
CA A:LEU595 4.8 30.7 1.0
C A:LEU595 5.0 32.4 1.0

Reference:

A.J.Wagner, P.L.Severson, A.F.Shields, A.Patnaik, R.Chugh, G.Tinoco, G.Wu, M.Nespi, J.Lin, Y.Zhang, T.Ewing, G.Habets, E.A.Burton, B.Matusow, J.Tsai, G.Tsang, R.Shellooe, H.Carias, K.Chan, H.Rezaei, L.Sanftner, A.Marimuthu, W.Spevak, P.N.Ibrahim, K.Inokuchi, O.Alcantar, G.Michelson, A.C.Tsiatis, C.Zhang, G.Bollag, J.C.Trent, W.D.Tap. Association of Combination of Conformation-Specific Kit Inhibitors with Clinical Benefit in Patients with Refractory Gastrointestinal Stromal Tumors Jama Oncol 2021.
Page generated: Mon Jul 29 23:32:52 2024

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