Chlorine in PDB 8q2y: Crystal Structure of YTHDC1 in Complex with Compound 11 (ZA_572)

The structure of Crystal Structure of YTHDC1 in Complex with Compound 11 (ZA_572), PDB code: 8q2y 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)	40.49 / 1.71
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	39.91, 104.16, 41.88, 90, 104.81, 90
R / Rfree (%)	22.6 / 25.7

The binding sites of Chlorine atom in the Crystal Structure of YTHDC1 in Complex with Compound 11 (ZA_572) (pdb code 8q2y). 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 11 (ZA_572), PDB code: 8q2y:
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 11 (ZA_572)


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 11 (ZA_572) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:64.0 occ:1.00 CL21 A:IVI601 0.0 64.0 1.0 C20 A:IVI601 1.7 46.9 1.0 N22 A:IVI601 2.6 43.2 1.0 N19 A:IVI601 2.6 47.1 1.0 ND2 A:ASN367 2.9 41.1 1.0 ND2 A:ASN364 3.0 50.5 1.0 N A:ASN363 3.2 44.2 1.0 OG A:SER362 3.4 43.5 1.0 N A:ASN364 3.4 42.8 1.0 CG A:ASN364 3.5 46.4 1.0 CB A:ASN363 3.6 47.4 1.0 CG A:PRO431 3.6 56.9 1.0 CD A:PRO431 3.7 57.6 1.0 CA A:ASN363 3.8 44.2 1.0 OD1 A:ASN364 3.8 47.8 1.0 C18 A:IVI601 3.8 46.8 1.0 C03 A:IVI601 3.8 39.9 1.0 CG A:ASN367 3.9 43.0 1.0 C A:ASN363 4.0 44.7 1.0 O A:VAL429 4.1 52.1 1.0 C A:SER362 4.3 42.3 1.0 CB A:ASN367 4.3 39.6 1.0 CB A:ASN364 4.3 47.8 1.0 C04 A:IVI601 4.3 43.4 1.0 CA A:ASN364 4.4 44.0 1.0 O A:ASN364 4.5 39.8 1.0 CA A:SER362 4.5 39.8 1.0 CB A:SER362 4.5 43.1 1.0 CG A:ASN363 4.6 51.2 1.0 OD1 A:ASN363 4.7 52.8 1.0 OD1 A:ASN367 4.8 38.9 1.0 C A:ASN364 4.9 44.0 1.0 N02 A:IVI601 4.9 39.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of YTHDC1 in Complex with Compound 11 (ZA_572)


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 11 (ZA_572) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl601 b:62.2 occ:1.00 CL21 B:IVI601 0.0 62.2 1.0 C20 B:IVI601 1.7 44.1 1.0 N22 B:IVI601 2.6 43.3 1.0 N19 B:IVI601 2.6 45.5 1.0 ND2 B:ASN364 2.9 43.9 1.0 ND2 B:ASN367 3.2 38.8 1.0 CG B:ASN364 3.3 43.0 1.0 OG B:SER362 3.3 40.6 1.0 OD1 B:ASN364 3.6 46.3 1.0 N B:ASN364 3.6 40.7 1.0 N B:ASN363 3.6 43.3 1.0 CG B:PRO431 3.8 52.7 1.0 C18 B:IVI601 3.8 41.5 1.0 C03 B:IVI601 3.8 39.7 1.0 CG B:ASN367 4.0 40.3 1.0 CB B:ASN367 4.1 32.0 1.0 CB B:ASN364 4.2 39.4 1.0 CA B:ASN363 4.2 43.1 1.0 C B:ASN363 4.2 41.4 1.0 CB B:ASN363 4.2 47.5 1.0 CD B:PRO431 4.3 51.6 1.0 C04 B:IVI601 4.3 39.8 1.0 O B:VAL429 4.4 45.0 1.0 CA B:ASN364 4.4 41.9 1.0 O B:ASN364 4.4 37.5 1.0 CB B:SER362 4.5 38.6 1.0 C B:SER362 4.5 38.0 1.0 CA B:SER362 4.6 38.7 1.0 C B:ASN364 4.8 39.2 1.0 N02 B:IVI601 4.9 40.2 1.0

R.K.Bedi, F.Zalesak, A.Caflisch. Crystal Structure of YTHDC1 in Complex with Compound 11 (ZA_572) To Be Published.