Chlorine in PDB 8h75: FGFR2 in Complex with YJ001

All present enzymatic activity of FGFR2 in Complex with YJ001:
2.7.10.1;

The structure of FGFR2 in Complex with YJ001, PDB code: 8h75 was solved by X.E.Yan, C.H.Yun, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.80 / 3.75
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	43.022, 198.595, 67.203, 90, 92.94, 90
R / Rfree (%)	21.4 / 23.8

The binding sites of Chlorine atom in the FGFR2 in Complex with YJ001 (pdb code 8h75). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the FGFR2 in Complex with YJ001, PDB code: 8h75:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the FGFR2 in Complex with YJ001


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of FGFR2 in Complex with YJ001 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1001 b:69.0 occ:1.00 CL1 A:KX01001 0.0 69.0 1.0 C11 A:KX01001 1.8 63.3 1.0 C10 A:KX01001 2.7 64.2 1.0 C06 A:KX01001 2.8 58.4 1.0 N04 A:KX01001 2.8 54.2 1.0 C05 A:KX01001 3.1 58.5 1.0 O A:LEU487 3.8 72.5 1.0 C03 A:KX01001 3.9 45.7 1.0 C01 A:KX01001 4.0 61.0 1.0 C09 A:KX01001 4.0 60.3 1.0 C07 A:KX01001 4.0 54.7 1.0 C02 A:KX01001 4.4 47.3 1.0 CB A:VAL495 4.4 60.3 1.0 C08 A:KX01001 4.5 52.2 1.0 C13 A:KX01001 4.5 61.2 1.0 CG2 A:VAL495 4.8 63.8 1.0 CG1 A:VAL495 4.9 55.6 1.0 C A:LEU487 5.0 72.2 1.0

Chlorine binding site 2 out of 5 in the FGFR2 in Complex with YJ001


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of FGFR2 in Complex with YJ001 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1002 b:28.9 occ:1.00 OG B:SER745 2.4 52.6 1.0 CG A:PRO744 2.5 36.2 1.0 CG B:PRO744 2.6 51.3 1.0 OG A:SER745 3.1 50.6 1.0 CD B:PRO744 3.4 49.0 1.0 CD A:PRO744 3.4 39.6 1.0 N B:SER745 3.6 51.0 1.0 CB A:PRO744 3.7 41.3 1.0 CB B:PRO744 3.7 48.9 1.0 CB B:SER745 3.8 54.4 1.0 N A:SER745 3.9 40.2 1.0 CA B:SER745 4.2 47.9 1.0 N A:PRO744 4.2 40.9 1.0 N B:PRO744 4.2 43.9 1.0 CB A:SER745 4.4 54.6 1.0 C B:PRO744 4.4 50.2 1.0 CA B:PRO744 4.4 45.7 1.0 CG1 A:VAL743 4.4 51.9 1.0 CA A:PRO744 4.5 35.0 1.0 CG1 B:VAL743 4.6 47.8 1.0 C A:PRO744 4.6 37.4 1.0 CA A:SER745 4.7 45.2 1.0

Chlorine binding site 3 out of 5 in the FGFR2 in Complex with YJ001


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of FGFR2 in Complex with YJ001 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1001 b:104.3 occ:1.00 CL1 B:KX01001 0.0 104.3 1.0 C11 B:KX01001 1.8 79.0 1.0 C10 B:KX01001 2.7 77.1 1.0 N04 B:KX01001 2.8 59.6 1.0 C06 B:KX01001 2.8 67.8 1.0 C05 B:KX01001 3.1 65.0 1.0 CG2 B:VAL495 3.5 79.0 1.0 O B:LEU487 3.8 81.1 1.0 C03 B:KX01001 3.9 54.7 1.0 C01 B:KX01001 3.9 68.0 1.0 CB B:VAL495 4.0 74.5 1.0 C09 B:KX01001 4.0 72.5 1.0 C07 B:KX01001 4.0 61.2 1.0 C02 B:KX01001 4.4 57.6 1.0 C08 B:KX01001 4.5 65.1 1.0 C13 B:KX01001 4.5 60.4 1.0 CG1 B:VAL495 4.7 68.7 1.0 O B:GLY488 4.9 92.2 1.0 C B:LEU487 5.0 84.9 1.0

Chlorine binding site 4 out of 5 in the FGFR2 in Complex with YJ001


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of FGFR2 in Complex with YJ001 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1001 b:82.1 occ:1.00 CL1 C:KX01001 0.0 82.1 1.0 C11 C:KX01001 1.8 82.5 1.0 C10 C:KX01001 2.7 83.0 1.0 C06 C:KX01001 2.8 74.3 1.0 N04 C:KX01001 2.9 71.7 1.0 C05 C:KX01001 3.1 68.4 1.0 CG1 C:VAL495 3.2 60.6 1.0 CB C:VAL495 3.5 61.6 1.0 C09 C:KX01001 4.0 75.8 1.0 C07 C:KX01001 4.0 70.5 1.0 C03 C:KX01001 4.1 62.4 1.0 C01 C:KX01001 4.3 61.5 1.0 O C:LEU487 4.3 73.5 1.0 CG2 C:VAL495 4.4 65.3 1.0 C13 C:KX01001 4.5 62.7 1.0 C08 C:KX01001 4.5 75.1 1.0 C02 C:KX01001 4.6 58.5 1.0 CA C:VAL495 4.7 60.8 1.0 N C:VAL495 4.7 63.5 1.0

Chlorine binding site 5 out of 5 in the FGFR2 in Complex with YJ001


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of FGFR2 in Complex with YJ001 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl1001 b:69.4 occ:1.00 CL1 D:KX01001 0.0 69.4 1.0 C11 D:KX01001 1.8 67.8 1.0 C10 D:KX01001 2.7 77.5 1.0 N04 D:KX01001 2.8 53.1 1.0 C06 D:KX01001 2.8 63.5 1.0 C05 D:KX01001 3.2 55.0 1.0 CG2 D:VAL495 3.4 54.9 1.0 C01 D:KX01001 3.8 51.1 1.0 C03 D:KX01001 3.9 54.0 1.0 C09 D:KX01001 4.0 86.6 1.0 C07 D:KX01001 4.0 77.1 1.0 C02 D:KX01001 4.3 51.9 1.0 O D:HOH1105 4.3 27.9 1.0 C08 D:KX01001 4.5 85.9 1.0 C13 D:KX01001 4.7 62.6 1.0 CB D:VAL495 4.7 55.2 1.0 CG1 D:VAL495 4.8 57.0 1.0 CA D:GLY488 4.9 63.6 1.0 N D:GLY488 5.0 56.6 1.0

X.E.Yan, C.H.Yun. FGFR2 in Complex with YJ001 To Be Published.