Chlorine in PDB 8q35: Crystal Structure of YTHDC1 in Complex with Compound 16 (ZA_354)

The structure of Crystal Structure of YTHDC1 in Complex with Compound 16 (ZA_354), PDB code: 8q35 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)	38.68 / 1.31
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	39.96, 103.53, 42.06, 90, 104.52, 90
R / Rfree (%)	21.1 / 22.9

The structure of Crystal Structure of YTHDC1 in Complex with Compound 16 (ZA_354) 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 16 (ZA_354) (pdb code 8q35). 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 16 (ZA_354), PDB code: 8q35:
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 16 (ZA_354)


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 16 (ZA_354) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:57.1 occ:1.00 CL01 A:IWM601 0.0 57.1 1.0 C02 A:IWM601 1.8 41.6 1.0 ND2 A:ASN367 2.5 37.5 1.0 N22 A:IWM601 2.8 43.4 1.0 N03 A:IWM601 2.8 40.0 1.0 ND2 A:ASN364 3.2 45.0 1.0 N A:ASN363 3.4 36.3 1.0 CG A:ASN364 3.5 39.3 1.0 OD1 A:ASN364 3.6 37.9 1.0 CG A:ASN367 3.6 35.8 1.0 CB A:ASN363 3.6 42.7 1.0 N A:ASN364 3.6 36.4 1.0 O A:VAL429 3.7 51.0 1.0 OG A:SER362 3.7 33.6 1.0 CA A:ASN363 3.8 39.7 1.0 C A:ASN363 4.1 37.3 1.0 CB A:ASN367 4.1 32.5 1.0 C04 A:IWM601 4.1 35.7 1.0 C08 A:IWM601 4.2 43.4 1.0 C A:SER362 4.4 32.5 1.0 CB A:ASN364 4.5 38.5 1.0 CA A:ASN364 4.5 36.5 1.0 OD1 A:ASN367 4.6 38.3 1.0 CA A:SER362 4.7 31.1 1.0 O A:ASN364 4.7 31.9 1.0 C07 A:IWM601 4.7 42.1 1.0 CG A:ASN363 4.7 46.0 1.0 CB A:SER362 4.7 34.2 1.0 C A:VAL429 4.9 52.9 1.0 O A:HOH787 4.9 45.0 1.0 ND2 A:ASN363 5.0 46.5 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of YTHDC1 in Complex with Compound 16 (ZA_354)


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 16 (ZA_354) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl601 b:41.2 occ:1.00 CL01 B:IWM601 0.0 41.2 1.0 C02 B:IWM601 1.8 32.2 1.0 N22 B:IWM601 2.8 31.9 1.0 N03 B:IWM601 2.8 30.2 1.0 ND2 B:ASN364 3.0 34.5 1.0 ND2 B:ASN367 3.2 28.4 1.0 CG B:ASN364 3.3 33.4 1.0 N B:ASN364 3.4 26.4 1.0 N B:ASN363 3.4 26.1 1.0 OG B:SER362 3.5 26.6 1.0 OD1 B:ASN364 3.5 29.9 1.0 CB B:ASN363 3.7 31.5 1.0 CA B:ASN363 3.8 28.7 1.0 C B:ASN363 3.9 27.6 1.0 CB B:ASN364 4.0 26.4 1.0 CG B:ASN367 4.0 24.6 1.0 C04 B:IWM601 4.1 29.2 1.0 C08 B:IWM601 4.1 34.7 1.0 CA B:ASN364 4.2 28.6 1.0 CB B:ASN367 4.2 22.2 1.0 O B:VAL429 4.3 27.5 1.0 CD B:PRO431 4.4 37.3 1.0 C B:SER362 4.4 23.6 1.0 O B:ASN364 4.5 29.0 1.0 CG B:PRO431 4.6 45.8 1.0 CB B:SER362 4.6 25.4 1.0 C07 B:IWM601 4.7 30.3 1.0 CA B:SER362 4.7 23.8 1.0 C B:ASN364 4.8 25.9 1.0 CG B:ASN363 4.8 37.4 1.0

R.K.Bedi, F.Zalesak, A.Caflisch. Crystal Structure of YTHDC1 in Complex with Compound 16 (ZA_354) To Be Published.