Chlorine in PDB 8q2w: Crystal Structure of YTHDC1 in Complex with Compound 8 (CS_01)

The structure of Crystal Structure of YTHDC1 in Complex with Compound 8 (CS_01), PDB code: 8q2w 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)	38.56 / 1.41
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	39.87, 103.07, 42.03, 90, 104.75, 90
R / Rfree (%)	19.1 / 20.6

The binding sites of Chlorine atom in the Crystal Structure of YTHDC1 in Complex with Compound 8 (CS_01) (pdb code 8q2w). 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 8 (CS_01), PDB code: 8q2w:
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 8 (CS_01)


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 8 (CS_01) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:43.9 occ:1.00 CL18 A:IUZ601 0.0 43.9 1.0 C17 A:IUZ601 1.9 29.4 1.0 N16 A:IUZ601 2.7 30.8 1.0 N19 A:IUZ601 2.8 31.1 1.0 ND2 A:ASN364 2.8 39.9 1.0 ND2 A:ASN367 3.1 28.6 1.0 CG A:ASN364 3.3 35.3 1.0 N A:ASN363 3.4 28.3 1.0 CG A:PRO431 3.4 50.6 1.0 N A:ASN364 3.5 28.0 1.0 OG A:SER362 3.6 28.1 1.0 CB A:ASN363 3.6 36.4 1.0 OD1 A:ASN364 3.6 33.6 1.0 CA A:ASN363 3.8 31.8 1.0 CD A:PRO431 3.8 50.7 1.0 C A:ASN363 3.9 29.5 1.0 C15 A:IUZ601 3.9 30.8 1.0 O A:VAL429 4.0 40.4 1.0 CG A:ASN367 4.0 28.5 1.0 C03 A:IUZ601 4.0 28.6 1.0 CB A:ASN364 4.2 31.5 1.0 CA A:ASN364 4.3 30.0 1.0 O A:HOH709 4.4 43.2 1.0 C A:SER362 4.4 26.5 1.0 CB A:ASN367 4.5 26.8 1.0 C04 A:IUZ601 4.5 28.4 1.0 CA A:SER362 4.7 24.8 1.0 O A:ASN364 4.7 27.1 1.0 CB A:SER362 4.7 26.8 1.0 CB A:PRO431 4.7 57.2 1.0 N A:PRO431 4.8 54.0 1.0 CG A:ASN363 4.8 39.6 1.0 O A:ASN363 4.9 32.5 1.0 OD1 A:ASN367 4.9 29.9 1.0 C A:ASN364 5.0 28.3 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of YTHDC1 in Complex with Compound 8 (CS_01)


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 8 (CS_01) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl601 b:40.5 occ:1.00 CL18 B:IUZ601 0.0 40.5 1.0 C17 B:IUZ601 1.8 25.8 1.0 N16 B:IUZ601 2.7 26.4 1.0 N19 B:IUZ601 2.8 27.1 1.0 ND2 B:ASN364 2.8 31.7 1.0 CG B:ASN364 3.1 30.1 1.0 ND2 B:ASN367 3.2 24.8 1.0 OD1 B:ASN364 3.3 28.8 1.0 N B:ASN364 3.4 25.4 1.0 N B:ASN363 3.5 25.6 1.0 OG B:SER362 3.5 26.0 1.0 CG B:PRO431 3.7 40.7 1.0 C15 B:IUZ601 3.9 25.6 1.0 CA B:ASN363 3.9 28.0 1.0 C B:ASN363 3.9 27.4 1.0 CB B:ASN364 4.0 26.1 1.0 CD B:PRO431 4.0 39.2 1.0 C03 B:IUZ601 4.0 22.7 1.0 CB B:ASN363 4.1 33.0 1.0 O B:VAL429 4.1 27.7 1.0 CG B:ASN367 4.1 22.7 1.0 CA B:ASN364 4.2 29.1 1.0 CB B:ASN367 4.3 23.0 1.0 C B:SER362 4.4 25.4 1.0 C04 B:IUZ601 4.5 23.4 1.0 O B:ASN364 4.6 27.4 1.0 CB B:SER362 4.7 24.1 1.0 CA B:SER362 4.7 24.3 1.0 O B:HOH831 4.8 38.0 1.0 C B:ASN364 4.9 26.1 1.0 O B:ASN363 5.0 31.1 1.0

R.K.Bedi, F.Zalesak, A.Caflisch. Crystal Structure of YTHDC1 in Complex with Compound 8 (CS_01) To Be Published.