Fluorine in PDB 8c0a: Crystal Structure of JAK2 JH2-R683S

All present enzymatic activity of Crystal Structure of JAK2 JH2-R683S:
2.7.10.2;

The structure of Crystal Structure of JAK2 JH2-R683S, PDB code: 8c0a was solved by T.Haikarainen, O.Silvennoinen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	53.61 / 1.70
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	45.98, 56.695, 60.619, 89.9, 79.58, 71.31
R / Rfree (%)	19.4 / 23.8

The binding sites of Fluorine atom in the Crystal Structure of JAK2 JH2-R683S (pdb code 8c0a). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Crystal Structure of JAK2 JH2-R683S, PDB code: 8c0a:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in the Crystal Structure of JAK2 JH2-R683S


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 JAK2 JH2-R683S within 5.0Å range: probe atom residue distance (Å) B Occ A:F902 b:24.6 occ:1.00 FAR A:T7I902 0.0 24.6 1.0 CAQ A:T7I902 1.3 23.3 1.0 FAT A:T7I902 2.1 25.0 1.0 FAS A:T7I902 2.3 22.8 1.0 CAO A:T7I902 2.4 20.0 1.0 HAZ A:T7I902 2.4 28.6 1.0 HG A:SER698 2.9 34.1 1.0 HD21 A:LEU680 3.0 24.7 1.0 HD11 A:LEU680 3.1 28.5 1.0 NAP A:T7I902 3.2 19.8 1.0 CAN A:T7I902 3.2 19.0 1.0 CAZ A:T7I902 3.3 23.8 1.0 HAP A:T7I902 3.3 23.8 1.0 HB3 A:SER698 3.5 24.7 1.0 HB2 A:SER698 3.5 24.7 1.0 HA A:ASN678 3.6 27.5 1.0 CAU A:T7I902 3.6 20.9 1.0 OG A:SER698 3.6 28.4 1.0 CB A:SER698 3.7 20.6 1.0 HZ3 A:LYS581 3.9 41.7 1.0 HE2 A:LYS581 3.9 46.6 1.0 CD2 A:LEU680 3.9 20.6 1.0 CD1 A:LEU680 4.0 23.7 1.0 O A:HOH1193 4.0 40.0 1.0 OD1 A:ASN678 4.2 28.9 1.0 O A:LYS677 4.2 20.8 1.0 HD13 A:LEU680 4.2 28.5 1.0 NAK A:T7I902 4.3 20.9 1.0 HG A:LEU680 4.3 26.2 1.0 HD22 A:LEU680 4.3 24.7 1.0 CG A:LEU680 4.3 21.9 1.0 CAL A:T7I902 4.4 19.0 1.0 CAY A:T7I902 4.4 27.2 1.0 HE3 A:LYS581 4.4 46.6 1.0 CE A:LYS581 4.4 38.8 1.0 HD23 A:LEU680 4.5 24.7 1.0 CA A:ASN678 4.5 22.9 1.0 NZ A:LYS581 4.5 34.7 1.0 HAY A:T7I902 4.6 32.6 1.0 HD12 A:LEU680 4.6 28.5 1.0 HG A:SER633 4.8 29.0 1.0 HD11 A:LEU579 4.8 24.0 1.0 OE1 A:GLN626 4.8 19.3 0.6 HZ2 A:LYS581 4.8 41.7 1.0 CAV A:T7I902 4.9 22.3 1.0 O A:ASN678 5.0 25.4 1.0 O A:HOH1017 5.0 21.6 1.0

Fluorine binding site 2 out of 6 in the Crystal Structure of JAK2 JH2-R683S


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 JAK2 JH2-R683S within 5.0Å range: probe atom residue distance (Å) B Occ A:F902 b:22.8 occ:1.00 FAS A:T7I902 0.0 22.8 1.0 CAQ A:T7I902 1.4 23.3 1.0 FAT A:T7I902 2.1 25.0 1.0 FAR A:T7I902 2.3 24.6 1.0 CAO A:T7I902 2.4 20.0 1.0 HE2 A:LYS581 2.4 46.6 1.0 HD12 A:ILE559 3.0 39.8 1.0 CAN A:T7I902 3.0 19.0 1.0 HG21 A:ILE559 3.2 26.5 1.0 HD11 A:LEU579 3.2 24.0 1.0 HAZ A:T7I902 3.2 28.6 1.0 CAU A:T7I902 3.2 20.9 1.0 CE A:LYS581 3.2 38.8 1.0 HE3 A:LYS581 3.3 46.6 1.0 CAZ A:T7I902 3.3 23.8 1.0 NAP A:T7I902 3.4 19.8 1.0 O A:HOH1193 3.5 40.0 1.0 HG13 A:ILE559 3.6 32.9 1.0 HAP A:T7I902 3.8 23.8 1.0 HZ3 A:LYS581 3.8 41.7 1.0 CD1 A:ILE559 3.9 33.2 1.0 HG A:SER698 3.9 34.1 1.0 HD21 A:LEU579 4.0 23.8 1.0 NZ A:LYS581 4.0 34.7 1.0 CG2 A:ILE559 4.0 22.1 1.0 CAV A:T7I902 4.1 22.3 1.0 CD1 A:LEU579 4.1 20.0 1.0 HG23 A:ILE559 4.1 26.5 1.0 HG2 A:LYS581 4.2 32.0 1.0 HG A:LEU579 4.2 22.7 1.0 CG1 A:ILE559 4.2 27.4 1.0 CAL A:T7I902 4.2 19.0 1.0 HD11 A:ILE559 4.2 39.8 1.0 CAY A:T7I902 4.3 27.2 1.0 HZ2 A:LYS581 4.3 41.7 1.0 CD A:LYS581 4.3 24.8 1.0 NAK A:T7I902 4.4 20.9 1.0 HAV A:T7I902 4.5 26.8 1.0 HD3 A:LYS581 4.5 29.7 1.0 HD13 A:ILE559 4.6 39.8 1.0 HD12 A:LEU579 4.6 24.0 1.0 CG A:LEU579 4.6 18.9 1.0 HD13 A:LEU579 4.7 24.0 1.0 CG A:LYS581 4.7 26.6 1.0 CB A:ILE559 4.7 23.6 1.0 HD21 A:LEU680 4.7 24.7 1.0 HG22 A:ILE559 4.7 26.5 1.0 OG A:SER698 4.7 28.4 1.0 CD2 A:LEU579 4.7 19.8 1.0 HD11 A:LEU680 4.8 28.5 1.0 HAY A:T7I902 4.8 32.6 1.0 HZ1 A:LYS581 4.8 41.7 1.0 HG3 A:LYS581 4.9 32.0 1.0 CAW A:T7I902 4.9 23.6 1.0 OE1 A:GLN626 4.9 19.3 0.6 CAX A:T7I902 5.0 23.2 1.0

Fluorine binding site 3 out of 6 in the Crystal Structure of JAK2 JH2-R683S


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 JAK2 JH2-R683S within 5.0Å range: probe atom residue distance (Å) B Occ A:F902 b:25.0 occ:1.00 FAT A:T7I902 0.0 25.0 1.0 CAQ A:T7I902 1.3 23.3 1.0 FAR A:T7I902 2.1 24.6 1.0 FAS A:T7I902 2.1 22.8 1.0 HG A:SER698 2.3 34.1 1.0 CAO A:T7I902 2.3 20.0 1.0 HAP A:T7I902 2.3 23.8 1.0 NAP A:T7I902 2.5 19.8 1.0 HE3 A:LYS581 2.7 46.6 1.0 HE2 A:LYS581 2.9 46.6 1.0 OE1 A:GLN626 3.0 19.3 0.6 HD11 A:LEU579 3.0 24.0 1.0 HZ3 A:LYS581 3.1 41.7 1.0 OG A:SER698 3.1 28.4 1.0 CE A:LYS581 3.1 38.8 1.0 HD11 A:LEU680 3.2 28.5 1.0 HG A:LEU579 3.3 22.7 1.0 O A:HOH1017 3.4 21.6 1.0 CAN A:T7I902 3.6 19.0 1.0 NZ A:LYS581 3.6 34.7 1.0 HB2 A:SER698 3.6 24.7 1.0 CD1 A:LEU579 3.8 20.0 1.0 HD12 A:LEU579 3.8 24.0 1.0 CB A:SER698 3.9 20.6 1.0 CD A:GLN626 3.9 28.6 0.6 NAK A:T7I902 3.9 20.9 1.0 HD13 A:LEU680 4.0 28.5 1.0 CD1 A:LEU680 4.0 23.7 1.0 CG A:LEU579 4.0 18.9 1.0 HB3 A:SER698 4.1 24.7 1.0 HE21 A:GLN626 4.1 33.8 0.4 HD21 A:LEU680 4.1 24.7 1.0 HZ1 A:LYS581 4.1 41.7 1.0 HAZ A:T7I902 4.2 28.6 1.0 HE22 A:GLN626 4.2 33.8 0.4 HE22 A:GLN626 4.2 31.9 0.6 HZ2 A:LYS581 4.2 41.7 1.0 HD21 A:LEU579 4.3 23.8 1.0 NE2 A:GLN626 4.4 26.6 0.6 NE2 A:GLN626 4.4 28.1 0.4 CAL A:T7I902 4.5 19.0 1.0 CAU A:T7I902 4.5 20.9 1.0 HD12 A:LEU680 4.5 28.5 1.0 CD A:LYS581 4.5 24.8 1.0 HD12 A:ILE559 4.6 39.8 1.0 HD13 A:LEU579 4.6 24.0 1.0 O A:HOH1193 4.6 40.0 1.0 HG21 A:ILE559 4.6 26.5 1.0 CAZ A:T7I902 4.7 23.8 1.0 CD2 A:LEU579 4.7 19.8 1.0 CD2 A:LEU680 4.9 20.6 1.0 HG2 A:LYS581 4.9 32.0 1.0 HG3 A:LYS581 4.9 32.0 1.0 CAI A:T7I902 4.9 22.0 1.0 CG A:GLN626 4.9 23.7 0.6 OAJ A:T7I902 4.9 20.3 1.0 HG2 A:GLN626 4.9 28.5 0.6 HG3 A:GLN626 4.9 28.5 0.6 CG A:LEU680 5.0 21.9 1.0 HD22 A:LEU680 5.0 24.7 1.0 HG11 A:VAL610 5.0 31.2 1.0 HD23 A:LEU579 5.0 23.8 1.0

Fluorine binding site 4 out of 6 in the Crystal Structure of JAK2 JH2-R683S


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of JAK2 JH2-R683S within 5.0Å range: probe atom residue distance (Å) B Occ B:F902 b:25.8 occ:1.00 FAR B:T7I902 0.0 25.8 1.0 CAQ B:T7I902 1.4 29.4 1.0 FAS B:T7I902 2.2 24.4 1.0 FAT B:T7I902 2.3 27.1 1.0 CAO B:T7I902 2.4 25.4 1.0 HE2 B:LYS581 2.4 40.4 1.0 HD13 B:ILE559 2.7 37.7 1.0 CAN B:T7I902 3.0 20.6 1.0 HAV B:T7I902 3.1 30.0 1.0 HD11 B:LEU579 3.2 29.5 1.0 HG21 B:ILE559 3.2 24.6 1.0 CE B:LYS581 3.2 33.7 1.0 CAU B:T7I902 3.2 21.7 1.0 HE3 B:LYS581 3.3 40.4 1.0 CAV B:T7I902 3.3 25.0 1.0 NAP B:T7I902 3.4 21.2 1.0 HZ3 B:LYS581 3.4 40.6 1.0 O B:HOH1186 3.5 37.6 1.0 CD1 B:ILE559 3.5 31.4 1.0 HD11 B:ILE559 3.6 37.7 1.0 HG12 B:ILE559 3.7 28.3 1.0 HAP B:T7I902 3.8 25.4 1.0 NZ B:LYS581 3.8 33.9 1.0 O B:HOH1051 4.0 33.2 1.0 HZ2 B:LYS581 4.1 40.6 1.0 CG1 B:ILE559 4.1 23.6 1.0 CD1 B:LEU579 4.1 24.6 1.0 CG2 B:ILE559 4.1 20.5 1.0 CAZ B:T7I902 4.1 22.7 1.0 HG B:LEU579 4.2 26.2 1.0 CAL B:T7I902 4.2 19.4 1.0 HD21 B:LEU579 4.2 26.8 1.0 HG2 B:LYS581 4.3 31.5 1.0 HD12 B:ILE559 4.3 37.7 1.0 CAW B:T7I902 4.3 23.5 1.0 HG23 B:ILE559 4.3 24.6 1.0 NAK B:T7I902 4.4 22.1 1.0 CD B:LYS581 4.5 29.1 1.0 HD12 B:LEU579 4.5 29.5 1.0 HAZ B:T7I902 4.6 27.2 1.0 HZ1 B:LYS581 4.6 40.6 1.0 CG B:LEU579 4.6 21.8 1.0 CB B:ILE559 4.7 22.5 1.0 HD13 B:LEU579 4.7 29.5 1.0 HG3 B:LYS581 4.7 31.5 1.0 HD3 B:LYS581 4.7 34.9 1.0 CG B:LYS581 4.7 26.3 1.0 HD21 B:LEU680 4.7 28.9 1.0 HG22 B:ILE559 4.8 24.6 1.0 HAW B:T7I902 4.8 28.2 1.0 O B:HOH1060 4.9 35.5 1.0 CD2 B:LEU579 4.9 22.4 1.0 HG13 B:ILE559 4.9 28.3 1.0 HD11 B:LEU680 5.0 31.3 1.0 CAY B:T7I902 5.0 25.2 1.0 HB B:ILE559 5.0 27.0 1.0 O B:HOH1003 5.0 26.2 1.0

Fluorine binding site 5 out of 6 in the Crystal Structure of JAK2 JH2-R683S


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Crystal Structure of JAK2 JH2-R683S within 5.0Å range: probe atom residue distance (Å) B Occ B:F902 b:24.4 occ:1.00 FAS B:T7I902 0.0 24.4 1.0 CAQ B:T7I902 1.4 29.4 1.0 FAT B:T7I902 2.2 27.1 1.0 FAR B:T7I902 2.2 25.8 1.0 HAP B:T7I902 2.2 25.4 1.0 CAO B:T7I902 2.4 25.4 1.0 NAP B:T7I902 2.5 21.2 1.0 HZ3 B:LYS581 2.6 40.6 1.0 HE3 B:LYS581 2.8 40.4 1.0 HE2 B:LYS581 3.0 40.4 1.0 O B:HOH1003 3.0 26.2 1.0 CE B:LYS581 3.1 33.7 1.0 NZ B:LYS581 3.2 33.9 1.0 HD11 B:LEU579 3.2 29.5 1.0 HD11 B:LEU680 3.3 31.3 1.0 O B:HOH1106 3.4 22.6 1.0 HG B:LEU579 3.4 26.2 1.0 HB2 B:SER698 3.4 31.1 1.0 HB3 B:SER698 3.5 31.1 1.0 CAN B:T7I902 3.6 20.6 1.0 HZ1 B:LYS581 3.7 40.6 1.0 O B:HOH1051 3.8 33.2 1.0 CB B:SER698 3.8 25.9 1.0 NAK B:T7I902 3.9 22.1 1.0 HZ2 B:LYS581 3.9 40.6 1.0 HD12 B:LEU579 3.9 29.5 1.0 CD1 B:LEU579 3.9 24.6 1.0 OG B:SER698 4.0 35.0 1.0 HD21 B:LEU680 4.1 28.9 1.0 CG B:LEU579 4.1 21.8 1.0 CD1 B:LEU680 4.1 26.1 1.0 HD13 B:LEU680 4.2 31.3 1.0 HAV B:T7I902 4.2 30.0 1.0 OE1 B:GLN626 4.3 33.7 1.0 CAL B:T7I902 4.4 19.4 1.0 CAU B:T7I902 4.5 21.7 1.0 HD21 B:LEU579 4.5 26.8 1.0 HG B:SER698 4.6 42.0 1.0 CD B:LYS581 4.6 29.1 1.0 HD12 B:LEU680 4.7 31.3 1.0 HG21 B:ILE559 4.7 24.6 1.0 CAV B:T7I902 4.7 25.0 1.0 HD13 B:LEU579 4.8 29.5 1.0 O B:HOH1186 4.8 37.6 1.0 HD13 B:ILE559 4.9 37.7 1.0 CD2 B:LEU680 4.9 24.1 1.0 CAI B:T7I902 4.9 22.8 1.0 CD2 B:LEU579 4.9 22.4 1.0 HG3 B:LYS581 4.9 31.5 1.0

Fluorine binding site 6 out of 6 in the Crystal Structure of JAK2 JH2-R683S


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Crystal Structure of JAK2 JH2-R683S within 5.0Å range: probe atom residue distance (Å) B Occ B:F902 b:27.1 occ:1.00 FAT B:T7I902 0.0 27.1 1.0 CAQ B:T7I902 1.3 29.4 1.0 FAS B:T7I902 2.2 24.4 1.0 FAR B:T7I902 2.3 25.8 1.0 CAO B:T7I902 2.3 25.4 1.0 HAV B:T7I902 2.4 30.0 1.0 HD21 B:LEU680 3.0 28.9 1.0 NAP B:T7I902 3.1 21.2 1.0 CAN B:T7I902 3.2 20.6 1.0 CAV B:T7I902 3.2 25.0 1.0 HAP B:T7I902 3.2 25.4 1.0 OG B:SER698 3.3 35.0 1.0 HD11 B:LEU680 3.3 31.3 1.0 O B:HOH1051 3.5 33.2 1.0 HA B:ASN678 3.6 25.8 1.0 CAU B:T7I902 3.6 21.7 1.0 HG B:SER698 3.6 42.0 1.0 HZ3 B:LYS581 3.7 40.6 1.0 HB3 B:SER698 3.7 31.1 1.0 HB2 B:SER698 3.8 31.1 1.0 CB B:SER698 3.8 25.9 1.0 CD2 B:LEU680 3.9 24.1 1.0 HE2 B:LYS581 4.0 40.4 1.0 OD1 B:ASN678 4.1 30.8 1.0 CD1 B:LEU680 4.2 26.1 1.0 O B:HOH1186 4.2 37.6 1.0 NAK B:T7I902 4.2 22.1 1.0 O B:LYS677 4.2 21.8 1.0 CAL B:T7I902 4.3 19.4 1.0 HD22 B:LEU680 4.4 28.9 1.0 NZ B:LYS581 4.4 33.9 1.0 CAW B:T7I902 4.4 23.5 1.0 HD23 B:LEU680 4.4 28.9 1.0 HG B:LEU680 4.5 27.6 1.0 HD13 B:LEU680 4.5 31.3 1.0 CG B:LEU680 4.5 23.0 1.0 CA B:ASN678 4.5 21.5 1.0 CE B:LYS581 4.5 33.7 1.0 HE3 B:LYS581 4.6 40.4 1.0 HD13 B:ILE559 4.6 37.7 1.0 HAW B:T7I902 4.7 28.2 1.0 HZ2 B:LYS581 4.7 40.6 1.0 HG B:SER633 4.8 29.1 1.0 O B:HOH1003 4.9 26.2 1.0 HD11 B:LEU579 4.9 29.5 1.0 HD12 B:LEU680 4.9 31.3 1.0 CAZ B:T7I902 4.9 22.7 1.0 O B:HOH1106 4.9 22.6 1.0 O B:ASN678 5.0 21.3 1.0 CG B:ASN678 5.0 25.1 1.0

B.G.Abraham, T.Haikarainen, J.Vuorio, M.Girych, A.Virtanen, V.Sharma, I.Vattulainen, O.Silvennoinen. Erythropoietin Signaling Is Mediated By Receptor Dimerization Through JAK2 Pseudokinase Domain To Be Published.