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Fluorine in PDB 6mob: Crystal Structure of KIT1 in Complex with DP2976 Via Co- Crystallization

Enzymatic activity of Crystal Structure of KIT1 in Complex with DP2976 Via Co- Crystallization

All present enzymatic activity of Crystal Structure of KIT1 in Complex with DP2976 Via Co- Crystallization:
2.7.10.1;

Protein crystallography data

The structure of Crystal Structure of KIT1 in Complex with DP2976 Via Co- Crystallization, PDB code: 6mob was solved by T.E.Edwards, J.Abendroth, K.Safford, L.Chun, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 1.80
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 80.699, 80.699, 145.020, 90.00, 90.00, 90.00
R / Rfree (%) 18.1 / 21

Other elements in 6mob:

The structure of Crystal Structure of KIT1 in Complex with DP2976 Via Co- Crystallization also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of KIT1 in Complex with DP2976 Via Co- Crystallization (pdb code 6mob). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Crystal Structure of KIT1 in Complex with DP2976 Via Co- Crystallization, PDB code: 6mob:

Fluorine binding site 1 out of 1 in 6mob

Go back to Fluorine Binding Sites List in 6mob
Fluorine binding site 1 out of 1 in the Crystal Structure of KIT1 in Complex with DP2976 Via Co- Crystallization


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of KIT1 in Complex with DP2976 Via Co- Crystallization within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1015

b:14.6
occ:1.00
 F10 A:JWY1015 0.0 14.6 1.0
C6 A:JWY1015 1.4 14.2 1.0
C4 A:JWY1015 2.4 14.6 1.0
C5 A:JWY1015 2.4 13.2 1.0
N7 A:JWY1015 2.7 14.1 1.0
OE2 A:GLU640 3.1 16.3 1.0
CG1 A:VAL668 3.5 14.5 1.0
CD1 A:LEU644 3.5 19.9 1.0
C3 A:JWY1015 3.6 14.7 1.0
C1 A:JWY1015 3.7 14.0 1.0
CB A:GLU640 3.7 16.0 1.0
O A:HOH1217 3.8 14.5 1.0
C23 A:JWY1015 4.0 15.6 1.0
C2 A:JWY1015 4.2 13.2 1.0
CD A:GLU640 4.2 17.8 1.0
O A:GLU640 4.2 15.2 1.0
C A:GLU640 4.3 15.8 1.0
CG2 A:THR670 4.3 15.7 1.0
CB A:VAL668 4.4 13.2 1.0
CG A:LEU644 4.4 18.5 1.0
CG A:GLU640 4.5 17.4 1.0
N24 A:JWY1015 4.5 13.3 1.0
CA A:GLU640 4.6 15.7 1.0
N A:LEU641 4.7 16.3 1.0
CD A:LYS623 4.8 13.8 1.0
NZ A:LYS623 4.8 13.7 1.0
O31 A:JWY1015 4.8 13.4 1.0
CE A:LYS623 4.9 14.0 1.0
CG2 A:VAL668 5.0 15.5 1.0

Reference:

B.D.Smith, M.D.Kaufman, W.P.Lu, A.Gupta, C.B.Leary, S.C.Wise, T.J.Rutkoski, Y.M.Ahn, G.Al-Ani, S.L.Bulfer, T.M.Caldwell, L.Chun, C.L.Ensinger, M.M.Hood, A.Mckinley, W.C.Patt, R.Ruiz-Soto, Y.Su, H.Telikepalli, A.Town, B.A.Turner, L.Vogeti, S.Vogeti, K.Yates, F.Janku, A.R.Abdul Razak, O.Rosen, M.C.Heinrich, D.L.Flynn. Ripretinib (Dcc-2618) Is A Switch Control Kinase Inhibitor of A Broad Spectrum of Oncogenic and Drug-Resistant Kit and Pdgfra Variants. Cancer Cell V. 35 738 2019.
ISSN: ISSN 1535-6108
PubMed: 31085175
DOI: 10.1016/J.CCELL.2019.04.006
Page generated: Thu Aug 1 22:19:02 2024

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