Fluorine in PDB 6sd9: Crystal Structure of Wild-Type Cmet Bound By Foretinib

Enzymatic activity of Crystal Structure of Wild-Type Cmet Bound By Foretinib

All present enzymatic activity of Crystal Structure of Wild-Type Cmet Bound By Foretinib:
2.7.10.1;

Protein crystallography data

The structure of Crystal Structure of Wild-Type Cmet Bound By Foretinib, PDB code: 6sd9 was solved by G.W.Collie, C.Phillips, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 28.70 / 2.35
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 41.880, 73.730, 91.470, 90.00, 90.00, 90.00
R / Rfree (%) 21 / 27

Other elements in 6sd9:

The structure of Crystal Structure of Wild-Type Cmet Bound By Foretinib also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Wild-Type Cmet Bound By Foretinib (pdb code 6sd9). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Wild-Type Cmet Bound By Foretinib, PDB code: 6sd9:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 6sd9

Go back to Fluorine Binding Sites List in 6sd9
Fluorine binding site 1 out of 2 in the Crystal Structure of Wild-Type Cmet Bound By Foretinib


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 Wild-Type Cmet Bound By Foretinib within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1402

b:42.3
occ:1.00
F21 A:88Z1402 0.0 42.3 1.0
C20 A:88Z1402 1.3 39.3 1.0
C19 A:88Z1402 2.3 37.3 1.0
C15 A:88Z1402 2.3 38.6 1.0
O14 A:88Z1402 2.7 35.1 1.0
CG2 A:VAL1092 3.2 52.9 1.0
CG1 A:VAL1092 3.4 52.7 1.0
C10 A:88Z1402 3.5 33.5 1.0
C18 A:88Z1402 3.6 39.0 1.0
C16 A:88Z1402 3.6 41.5 1.0
C9 A:88Z1402 3.7 30.0 1.0
CG A:LYS1110 4.0 41.4 1.0
CB A:VAL1092 4.0 53.1 1.0
CB A:LYS1110 4.0 35.3 1.0
CD2 A:LEU1157 4.0 43.6 1.0
C17 A:88Z1402 4.1 42.6 1.0
CD A:LYS1110 4.5 45.3 1.0
C5 A:88Z1402 4.6 32.2 1.0
CA A:LYS1110 4.7 33.6 1.0
N22 A:88Z1402 4.8 38.7 1.0
CG A:LEU1157 4.8 41.4 1.0
CE2 A:PHE1223 4.8 47.8 1.0
O36 A:88Z1402 4.9 46.2 1.0
CB A:ALA1108 4.9 36.2 1.0
CD2 A:PHE1223 4.9 45.4 1.0
C8 A:88Z1402 5.0 33.7 1.0

Fluorine binding site 2 out of 2 in 6sd9

Go back to Fluorine Binding Sites List in 6sd9
Fluorine binding site 2 out of 2 in the Crystal Structure of Wild-Type Cmet Bound By Foretinib


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Wild-Type Cmet Bound By Foretinib within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1402

b:43.5
occ:1.00
F44 A:88Z1402 0.0 43.5 1.0
C41 A:88Z1402 1.4 41.4 1.0
C42 A:88Z1402 2.3 41.2 1.0
C40 A:88Z1402 2.3 42.0 1.0
CD1 A:LEU1195 3.1 32.1 1.0
C43 A:88Z1402 3.6 40.6 1.0
C39 A:88Z1402 3.6 39.8 1.0
O A:VAL1220 3.6 33.0 1.0
CG1 A:VAL1220 3.7 29.0 1.0
CG1 A:VAL1139 3.8 34.3 1.0
CD2 A:LEU1195 3.8 32.8 1.0
CD2 A:HIS1202 3.8 35.0 1.0
C A:VAL1220 4.0 31.7 1.0
CG A:LEU1195 4.1 33.2 1.0
C38 A:88Z1402 4.1 38.1 1.0
CE2 A:PHE1134 4.1 49.1 1.0
NE2 A:HIS1202 4.2 34.9 1.0
CE2 A:PHE1200 4.2 36.3 1.0
CB A:VAL1220 4.4 28.6 1.0
CD2 A:PHE1134 4.4 46.6 1.0
N A:ALA1221 4.5 28.4 1.0
CA A:ALA1221 4.5 29.3 1.0
CD2 A:PHE1200 4.7 34.6 1.0
CB A:VAL1139 4.8 35.2 1.0
CZ A:PHE1134 4.9 46.9 1.0
CA A:VAL1220 4.9 25.9 1.0
C A:ALA1221 4.9 35.4 1.0
CG2 A:VAL1139 4.9 34.9 1.0
CG A:HIS1202 4.9 34.1 1.0
CZ A:PHE1200 5.0 34.5 1.0
O A:ALA1221 5.0 34.4 1.0

Reference:

G.W.Collie, C.M.Koh, D.J.O'neill, C.J.Stubbs, P.Khurana, A.Eddershaw, A.Snijder, F.Mauritzson, L.Barlind, I.L.Dale, J.Shaw, C.Phillips, E.J.Hennessy, T.Cheung, A.J.Narvaez. Structural and Molecular Insight Into Resistance Mechanisms of First Generation Cmet Inhibitors. Acs Med.Chem.Lett. V. 10 1322 2019.
ISSN: ISSN 1948-5875
PubMed: 31531204
DOI: 10.1021/ACSMEDCHEMLETT.9B00276
Page generated: Sun Dec 13 13:11:58 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy