Fluorine in PDB 6wzw: ASH1L Set Domain in Complex with As-85

All present enzymatic activity of ASH1L Set Domain in Complex with As-85:
2.1.1.359;

The structure of ASH1L Set Domain in Complex with As-85, PDB code: 6wzw was solved by H.Li, J.Deng, T.Cierpicki, J.Grembecka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.33 / 1.69
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	76.277, 31.998, 91.16, 90, 102.34, 90
R / Rfree (%)	16.4 / 20.6

The structure of ASH1L Set Domain in Complex with As-85 also contains other interesting chemical elements:

Zinc

(Zn)

3 atoms

The binding sites of Fluorine atom in the ASH1L Set Domain in Complex with As-85 (pdb code 6wzw). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the ASH1L Set Domain in Complex with As-85, PDB code: 6wzw:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the ASH1L Set Domain in Complex with As-85


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of ASH1L Set Domain in Complex with As-85 within 5.0Å range: probe atom residue distance (Å) B Occ A:F2306 b:23.6 occ:1.00 FBB A:UG72306 0.0 23.6 1.0 CAV A:UG72306 1.3 21.3 1.0 FBD A:UG72306 2.1 22.1 1.0 FBC A:UG72306 2.1 21.0 1.0 SAY A:UG72306 2.6 20.6 1.0 OBA A:UG72306 3.1 20.2 1.0 CAQ A:UG72306 3.3 14.6 1.0 NAX A:UG72306 3.3 21.8 1.0 OAZ A:UG72306 3.9 22.6 1.0 O A:HOH2579 3.9 41.2 1.0 CAP A:UG72306 4.1 17.6 1.0 CAR A:UG72306 4.8 18.2 1.0

Fluorine binding site 2 out of 3 in the ASH1L Set Domain in Complex with As-85


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of ASH1L Set Domain in Complex with As-85 within 5.0Å range: probe atom residue distance (Å) B Occ A:F2306 b:21.0 occ:1.00 FBC A:UG72306 0.0 21.0 1.0 CAV A:UG72306 1.3 21.3 1.0 FBD A:UG72306 2.1 22.1 1.0 FBB A:UG72306 2.1 23.6 1.0 SAY A:UG72306 2.6 20.6 1.0 OAZ A:UG72306 3.2 22.6 1.0 C8 A:EPE2301 3.3 38.1 1.0 NAX A:UG72306 3.3 21.8 1.0 CAP A:UG72306 3.4 17.6 1.0 OBA A:UG72306 3.8 20.2 1.0 O8 A:EPE2301 3.9 45.8 1.0 CAQ A:UG72306 3.9 14.6 1.0 C3 A:EPE2301 4.3 39.4 1.0 C7 A:EPE2301 4.5 46.2 1.0 N4 A:EPE2301 4.6 46.2 1.0 O A:HOH2418 4.8 33.6 1.0 CAO A:UG72306 4.9 14.5 1.0 C2 A:EPE2301 4.9 37.1 1.0

Fluorine binding site 3 out of 3 in the ASH1L Set Domain in Complex with As-85


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of ASH1L Set Domain in Complex with As-85 within 5.0Å range: probe atom residue distance (Å) B Occ A:F2306 b:22.1 occ:1.00 FBD A:UG72306 0.0 22.1 1.0 CAV A:UG72306 1.3 21.3 1.0 FBC A:UG72306 2.1 21.0 1.0 FBB A:UG72306 2.1 23.6 1.0 SAY A:UG72306 2.6 20.6 1.0 OAZ A:UG72306 3.0 22.6 1.0 OBA A:UG72306 3.1 20.2 1.0 NAX A:UG72306 4.0 21.8 1.0 C3 A:EPE2301 4.1 39.4 1.0 C8 A:EPE2301 4.3 38.1 1.0 NE2 A:GLN2265 4.6 17.2 1.0 CAQ A:UG72306 4.6 14.6 1.0 CAP A:UG72306 4.6 17.6 1.0 C2 A:EPE2301 4.6 37.1 1.0 CD A:GLN2265 4.8 18.1 1.0 CG A:GLN2265 4.9 16.8 1.0 N4 A:EPE2301 4.9 46.2 1.0

H.Li, J.Grembecka, T.Cierpicki. ASH1L Set Domain in Complex with As-85 To Be Published.