Fluorine in PDB 3jbz: Crystal Structure of Mtor Docked Into Em Map of Dimeric Atm Kinase

All present enzymatic activity of Crystal Structure of Mtor Docked Into Em Map of Dimeric Atm Kinase:
2.7.11.1;

The structure of Crystal Structure of Mtor Docked Into Em Map of Dimeric Atm Kinase also contains other interesting chemical elements:

Magnesium

(Mg)

3 atoms

The binding sites of Fluorine atom in the Crystal Structure of Mtor Docked Into Em Map of Dimeric Atm Kinase (pdb code 3jbz). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of Mtor Docked Into Em Map of Dimeric Atm Kinase, PDB code: 3jbz:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Crystal Structure of Mtor Docked Into Em Map of Dimeric Atm Kinase


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 Mtor Docked Into Em Map of Dimeric Atm Kinase within 5.0Å range: probe atom residue distance (Å) B Occ A:F2604 b:75.1 occ:1.00 F1 A:MGF2604 0.0 75.1 1.0 MG A:MGF2604 1.8 78.7 1.0 MG A:MG2602 2.2 74.5 1.0 NE2 A:HIS2340 2.9 53.6 1.0 CE1 A:HIS2340 3.0 54.1 1.0 O3B A:ADP2601 3.0 78.5 1.0 OD1 A:ASN2343 3.0 68.2 1.0 F2 A:MGF2604 3.1 79.3 1.0 F3 A:MGF2604 3.1 76.8 1.0 O2B A:ADP2601 3.6 81.5 1.0 CG A:ASN2343 3.8 60.7 1.0 PB A:ADP2601 3.9 81.9 1.0 O1A A:ADP2601 4.0 79.6 1.0 OD2 A:ASP2357 4.0 69.3 1.0 ND2 A:ASN2343 4.1 61.2 1.0 ND1 A:HIS2340 4.3 53.6 1.0 CD2 A:HIS2340 4.3 53.2 1.0 CB A:SER2342 4.5 49.0 1.0 O A:SER2342 4.7 49.4 1.0 CG A:ASP2357 4.7 65.8 1.0 C A:SER2342 4.8 49.9 1.0 MG A:MG2603 4.9 72.6 1.0 O3A A:ADP2601 4.9 82.5 1.0 CB A:ASN2343 5.0 56.2 1.0 O1B A:ADP2601 5.0 78.6 1.0 CG A:HIS2340 5.0 52.9 1.0

Fluorine binding site 2 out of 3 in the Crystal Structure of Mtor Docked Into Em Map of Dimeric Atm Kinase


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 Mtor Docked Into Em Map of Dimeric Atm Kinase within 5.0Å range: probe atom residue distance (Å) B Occ A:F2604 b:79.3 occ:1.00 F2 A:MGF2604 0.0 79.3 1.0 MG A:MGF2604 1.8 78.7 1.0 F1 A:MGF2604 3.1 75.1 1.0 F3 A:MGF2604 3.1 76.8 1.0 O3B A:ADP2601 3.2 78.5 1.0 O2B A:ADP2601 3.3 81.5 1.0 PB A:ADP2601 3.4 81.9 1.0 O1B A:ADP2601 3.5 78.6 1.0 MG A:MG2603 4.5 72.6 1.0 MG A:MG2602 4.5 74.5 1.0 OD2 A:ASP2357 4.8 69.3 1.0 O3A A:ADP2601 5.0 82.5 1.0

Fluorine binding site 3 out of 3 in the Crystal Structure of Mtor Docked Into Em Map of Dimeric Atm Kinase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Mtor Docked Into Em Map of Dimeric Atm Kinase within 5.0Å range: probe atom residue distance (Å) B Occ A:F2604 b:76.8 occ:1.00 F3 A:MGF2604 0.0 76.8 1.0 MG A:MGF2604 1.8 78.7 1.0 MG A:MG2603 1.9 72.6 1.0 F2 A:MGF2604 3.1 79.3 1.0 F1 A:MGF2604 3.1 75.1 1.0 OD2 A:ASP2357 3.2 69.3 1.0 O3B A:ADP2601 3.2 78.5 1.0 OD1 A:ASP2357 3.2 69.0 1.0 OD2 A:ASP2338 3.2 52.3 1.0 CG A:ASP2357 3.4 65.8 1.0 ND2 A:ASN2343 3.7 61.2 1.0 NE2 A:HIS2340 4.1 53.6 1.0 OD1 A:ASN2343 4.1 68.2 1.0 MG A:MG2602 4.3 74.5 1.0 CG A:ASP2338 4.3 52.4 1.0 CG A:ASN2343 4.4 60.7 1.0 PB A:ADP2601 4.4 81.9 1.0 CB A:ASP2357 4.6 61.8 1.0 O1B A:ADP2601 4.8 78.6 1.0 OD1 A:ASP2338 4.8 53.0 1.0 CD2 A:HIS2340 5.0 53.2 1.0

W.C.Lau, Y.Li, Z.Liu, Y.Gao, Q.Zhang, M.S.Huen. Structure of the Human Dimeric Atm Kinase. Cell Cycle V. 15 1117 2016.
ISSN: ESSN 1551-4005
PubMed: 27097373
DOI: 10.1080/15384101.2016.1158362