Fluorine in PDB 8k62: Crystal Structure of ALKBH1 and 13H Complex.

All present enzymatic activity of Crystal Structure of ALKBH1 and 13H Complex.:
1.14.11.33; 1.14.11.51; 4.2.99.18;

The structure of Crystal Structure of ALKBH1 and 13H Complex., PDB code: 8k62 was solved by X.Liang, G.Yinping, L.Feng, Z.Jiang, X.Ke, Y.Shengyong, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.28 / 1.99
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	56.502, 56.502, 192.135, 90, 90, 120
R / Rfree (%)	20.4 / 27.8

The structure of Crystal Structure of ALKBH1 and 13H Complex. also contains other interesting chemical elements:

Manganese

(Mn)

1 atom

The binding sites of Fluorine atom in the Crystal Structure of ALKBH1 and 13H Complex. (pdb code 8k62). 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 ALKBH1 and 13H Complex., PDB code: 8k62:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Crystal Structure of ALKBH1 and 13H Complex.


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 ALKBH1 and 13H Complex. within 5.0Å range: probe atom residue distance (Å) B Occ A:F402 b:69.2 occ:1.00 F25 A:IAU402 0.0 69.2 1.0 C24 A:IAU402 1.4 56.2 1.0 F27 A:IAU402 2.1 57.2 1.0 F26 A:IAU402 2.2 60.4 1.0 O23 A:IAU402 2.3 68.5 1.0 HZ2 A:TRP179 2.6 93.9 1.0 HB3 A:TYR177 2.7 92.5 1.0 CZ2 A:TRP179 2.8 78.3 1.0 HB2 A:TYR177 3.1 92.5 1.0 CB A:TYR177 3.3 77.1 1.0 CE2 A:TRP179 3.3 84.0 1.0 C21 A:IAU402 3.3 73.7 1.0 HD2 A:TYR177 3.4 106.3 1.0 CH2 A:TRP179 3.5 78.8 1.0 HE1 A:TRP179 3.6 106.2 1.0 NE1 A:TRP179 3.7 88.5 1.0 HH2 A:TRP179 3.7 94.5 1.0 CD2 A:TYR177 3.7 88.6 1.0 CG A:TYR177 3.8 83.3 1.0 H221 A:IAU402 4.0 79.6 1.0 C22 A:IAU402 4.1 66.3 1.0 H201 A:IAU402 4.1 80.2 1.0 C20 A:IAU402 4.2 66.8 1.0 HH2 A:TRP170 4.2 74.0 1.0 CH2 A:TRP170 4.2 61.7 1.0 CD2 A:TRP179 4.3 85.8 1.0 HG21 A:THR172 4.3 59.7 1.0 H A:TYR177 4.3 87.5 1.0 CZ3 A:TRP179 4.4 72.1 1.0 CZ2 A:TRP170 4.5 67.5 1.0 CZ3 A:TRP170 4.6 55.4 1.0 CA A:TYR177 4.6 80.1 1.0 HZ2 A:TRP170 4.6 81.0 1.0 CD1 A:TRP179 4.7 89.0 1.0 CE3 A:TRP179 4.8 70.5 1.0 HZ3 A:TRP170 4.8 66.5 1.0 CE2 A:TYR177 4.8 88.2 1.0 CD1 A:TYR177 4.8 73.8 1.0 HG23 A:THR172 4.8 59.7 1.0 N A:TYR177 4.9 72.9 1.0

Fluorine binding site 2 out of 3 in the Crystal Structure of ALKBH1 and 13H Complex.


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 ALKBH1 and 13H Complex. within 5.0Å range: probe atom residue distance (Å) B Occ A:F402 b:60.4 occ:1.00 F26 A:IAU402 0.0 60.4 1.0 C24 A:IAU402 1.4 56.2 1.0 O23 A:IAU402 2.2 68.5 1.0 F25 A:IAU402 2.2 69.2 1.0 F27 A:IAU402 2.3 57.2 1.0 HG21 A:THR172 2.6 59.7 1.0 HG23 A:THR172 2.8 59.7 1.0 H221 A:IAU402 3.0 79.6 1.0 CG2 A:THR172 3.0 49.8 1.0 HG22 A:THR172 3.2 59.7 1.0 C21 A:IAU402 3.3 73.7 1.0 CZ3 A:TRP170 3.4 55.4 1.0 C22 A:IAU402 3.5 66.3 1.0 HZ3 A:TRP170 3.5 66.5 1.0 CE3 A:TRP170 3.7 55.4 1.0 HB2 A:TYR177 3.8 92.5 1.0 CH2 A:TRP170 3.8 61.7 1.0 HE3 A:TRP170 3.9 66.5 1.0 HZ2 A:TRP179 4.0 93.9 1.0 HD11 A:ILE218 4.0 65.2 1.0 HB3 A:TYR177 4.0 92.5 1.0 HH2 A:TRP170 4.1 74.0 1.0 CD2 A:TRP170 4.2 53.3 1.0 H A:TYR177 4.2 87.5 1.0 HD13 A:ILE218 4.2 65.2 1.0 HG12 A:ILE218 4.3 56.7 1.0 CZ2 A:TRP170 4.3 67.5 1.0 CB A:TYR177 4.4 77.1 1.0 CE2 A:TRP170 4.5 57.0 1.0 CB A:THR172 4.5 43.8 1.0 HG1 A:THR172 4.5 60.0 1.0 CD1 A:ILE218 4.5 54.4 1.0 C20 A:IAU402 4.5 66.8 1.0 CZ2 A:TRP179 4.6 78.3 1.0 OG1 A:THR172 4.8 50.0 1.0 H201 A:IAU402 4.8 80.2 1.0 HZ2 A:TRP170 4.9 81.0 1.0 C17 A:IAU402 4.9 62.4 1.0 HB A:THR172 4.9 52.6 1.0 HE1 A:TRP179 4.9 106.2 1.0 CG1 A:ILE218 4.9 47.3 1.0

Fluorine binding site 3 out of 3 in the Crystal Structure of ALKBH1 and 13H Complex.


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 ALKBH1 and 13H Complex. within 5.0Å range: probe atom residue distance (Å) B Occ A:F402 b:57.2 occ:1.00 F27 A:IAU402 0.0 57.2 1.0 C24 A:IAU402 1.3 56.2 1.0 F25 A:IAU402 2.1 69.2 1.0 F26 A:IAU402 2.3 60.4 1.0 O23 A:IAU402 2.3 68.5 1.0 H221 A:IAU402 2.4 79.6 1.0 C21 A:IAU402 2.6 73.7 1.0 C22 A:IAU402 2.7 66.3 1.0 HZ2 A:TRP179 3.5 93.9 1.0 HH2 A:TRP179 3.7 94.5 1.0 C20 A:IAU402 3.7 66.8 1.0 C17 A:IAU402 3.8 62.4 1.0 CZ2 A:TRP179 3.9 78.3 1.0 CH2 A:TRP179 4.0 78.8 1.0 H161 A:IAU402 4.0 74.7 1.0 H201 A:IAU402 4.1 80.2 1.0 HD13 A:ILE218 4.3 65.2 1.0 HB2 A:TYR177 4.5 92.5 1.0 C16 A:IAU402 4.5 62.2 1.0 HD11 A:ILE218 4.5 65.2 1.0 C19 A:IAU402 4.6 68.0 1.0 C18 A:IAU402 4.6 69.2 1.0 HB3 A:TYR177 4.7 92.5 1.0 HG21 A:THR172 4.8 59.7 1.0 CE2 A:TRP170 4.8 57.0 1.0 CZ2 A:TRP170 4.8 67.5 1.0 CD2 A:TRP170 4.9 53.3 1.0 CD1 A:ILE218 4.9 54.4 1.0 CE2 A:TRP179 4.9 84.0 1.0 HG23 A:THR172 4.9 59.7 1.0 CH2 A:TRP170 4.9 61.7 1.0 CB A:TYR177 5.0 77.1 1.0 CE3 A:TRP170 5.0 55.4 1.0

X.Liang, G.Yinping, X.Ke, Y.Shengyong. Crystal Structure of ALKBH1 and 13H Complex To Be Published.