Chlorine in PDB 8q4u: Crystal Structure of YTHDC1 in Complex with Compound 36 (ZA_540B)

The structure of Crystal Structure of YTHDC1 in Complex with Compound 36 (ZA_540B), PDB code: 8q4u was solved by R.K.Bedi, F.Zalesak, A.Caflisch, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.70 / 1.37
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	40.1, 103.29, 42.16, 90, 105.16, 90
R / Rfree (%)	21.2 / 22.6

The structure of Crystal Structure of YTHDC1 in Complex with Compound 36 (ZA_540B) also contains other interesting chemical elements:

Fluorine

(F)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of YTHDC1 in Complex with Compound 36 (ZA_540B) (pdb code 8q4u). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of YTHDC1 in Complex with Compound 36 (ZA_540B), PDB code: 8q4u:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of YTHDC1 in Complex with Compound 36 (ZA_540B)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of YTHDC1 in Complex with Compound 36 (ZA_540B) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:67.7 occ:1.00 CL14 A:JA0601 0.0 67.7 1.0 C13 A:JA0601 1.8 54.0 1.0 C12 A:JA0601 2.7 53.9 1.0 C15 A:JA0601 2.7 46.7 1.0 CB A:PRO431 3.5 60.0 1.0 ND2 A:ASN363 3.8 46.4 1.0 C11 A:JA0601 4.0 49.9 1.0 C09 A:JA0601 4.1 44.0 1.0 CG A:PRO431 4.2 56.0 1.0 N A:GLY433 4.3 65.1 1.0 CB A:MET434 4.4 64.4 1.0 C A:GLY433 4.5 66.1 1.0 O1 A:SO4604 4.5 63.7 1.0 C10 A:JA0601 4.5 48.7 1.0 O A:GLY433 4.5 69.2 1.0 CG A:ASN363 4.5 44.3 1.0 N A:ALA432 4.7 63.7 1.0 CA A:GLY433 4.7 64.0 1.0 CA A:PRO431 4.7 62.2 1.0 CE A:MET434 4.8 47.6 1.0 C A:PRO431 4.8 63.3 1.0 N A:MET434 4.8 63.6 1.0 OD1 A:ASN363 4.9 45.0 1.0 CD A:PRO431 4.9 56.0 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of YTHDC1 in Complex with Compound 36 (ZA_540B)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of YTHDC1 in Complex with Compound 36 (ZA_540B) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl601 b:56.7 occ:1.00 CL14 B:JA0601 0.0 56.7 1.0 C13 B:JA0601 1.8 51.0 1.0 C12 B:JA0601 2.7 51.4 1.0 C15 B:JA0601 2.8 45.0 1.0 O B:HOH807 2.9 51.4 1.0 CE B:MET434 3.5 46.2 1.0 CB B:ALA432 4.0 59.6 1.0 C11 B:JA0601 4.0 47.3 1.0 C09 B:JA0601 4.1 44.4 1.0 CB B:MET434 4.2 56.1 1.0 N B:MET434 4.3 61.0 1.0 SD B:MET434 4.4 58.6 1.0 OD1 B:ASN363 4.5 42.9 1.0 C10 B:JA0601 4.5 44.8 1.0 N B:GLY433 4.5 62.1 1.0 O B:PRO431 4.6 53.1 1.0 CB B:PRO431 4.6 49.9 1.0 C B:PRO431 4.7 55.0 1.0 CA B:MET434 4.7 58.1 1.0 N B:ALA432 4.8 56.9 1.0 CA B:ALA432 4.8 60.1 1.0 CG B:PRO431 5.0 41.7 1.0 CG B:MET434 5.0 56.4 1.0

R.K.Bedi, F.Zalesak, A.Caflisch. Crystal Structure of YTHDC1 in Complex with Compound 36 (ZA_540B) To Be Published.