Chlorine in PDB 8q31: Crystal Structure of YTHDC1 in Complex with Compound 12 (ZA_341)

The structure of Crystal Structure of YTHDC1 in Complex with Compound 12 (ZA_341), PDB code: 8q31 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)	38.93 / 1.32
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	40.22, 103.75, 42.11, 90, 104.57, 90
R / Rfree (%)	21.4 / 22.7

The binding sites of Chlorine atom in the Crystal Structure of YTHDC1 in Complex with Compound 12 (ZA_341) (pdb code 8q31). 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 12 (ZA_341), PDB code: 8q31:
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 12 (ZA_341)


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 12 (ZA_341) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:58.6 occ:1.00 CL01 A:IVR601 0.0 58.6 1.0 C02 A:IVR601 1.8 40.6 1.0 ND2 A:ASN367 2.7 42.1 1.0 ND2 A:ASN364 2.8 52.0 1.0 N20 A:IVR601 2.8 42.8 1.0 N03 A:IVR601 2.8 40.3 1.0 CG A:ASN364 3.3 41.8 1.0 OD1 A:ASN364 3.5 43.4 1.0 CG A:PRO431 3.5 64.0 1.0 N A:ASN363 3.5 36.0 1.0 N A:ASN364 3.5 40.1 1.0 OG A:SER362 3.7 36.8 1.0 CB A:ASN363 3.7 47.2 1.0 CG A:ASN367 3.8 42.0 1.0 CA A:ASN363 3.9 41.4 1.0 C A:ASN363 4.1 37.6 1.0 O A:VAL429 4.1 58.0 1.0 C04 A:IVR601 4.1 32.4 1.0 C08 A:IVR601 4.2 39.3 1.0 CB A:ASN364 4.2 42.2 1.0 CD A:PRO431 4.3 66.0 1.0 CB A:ASN367 4.3 35.4 1.0 CA A:ASN364 4.4 40.6 1.0 C A:SER362 4.6 35.0 1.0 CB A:PRO431 4.7 69.3 1.0 O A:ASN364 4.7 33.9 1.0 C07 A:IVR601 4.7 38.1 1.0 OD1 A:ASN367 4.7 42.0 1.0 CB A:SER362 4.8 35.9 1.0 O A:HOH704 4.8 56.5 1.0 CA A:SER362 4.8 32.7 1.0 CG A:ASN363 4.9 51.4 1.0 N A:PRO431 5.0 69.4 1.0 C A:ASN364 5.0 35.5 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of YTHDC1 in Complex with Compound 12 (ZA_341)


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 12 (ZA_341) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl601 b:43.8 occ:1.00 CL01 B:IVR601 0.0 43.8 1.0 C02 B:IVR601 1.8 29.0 1.0 N20 B:IVR601 2.7 29.5 1.0 N03 B:IVR601 2.8 29.0 1.0 ND2 B:ASN364 2.9 32.9 1.0 CG B:ASN364 3.1 33.8 1.0 N B:ASN364 3.3 28.6 1.0 ND2 B:ASN367 3.3 26.2 1.0 OD1 B:ASN364 3.3 31.5 1.0 N B:ASN363 3.5 28.3 1.0 OG B:SER362 3.5 29.1 1.0 CB B:ASN363 3.8 35.5 1.0 CA B:ASN363 3.9 31.2 1.0 C B:ASN363 3.9 30.5 1.0 CB B:ASN364 3.9 26.6 1.0 CD B:PRO431 4.0 47.5 1.0 CG B:PRO431 4.1 54.8 1.0 CA B:ASN364 4.1 31.3 1.0 C04 B:IVR601 4.1 25.1 1.0 C08 B:IVR601 4.1 27.3 1.0 CG B:ASN367 4.1 25.5 1.0 O B:VAL429 4.2 28.3 1.0 CB B:ASN367 4.4 22.8 1.0 C B:SER362 4.5 27.3 1.0 O B:ASN364 4.6 29.2 1.0 C07 B:IVR601 4.7 26.3 1.0 CB B:SER362 4.7 27.1 1.0 CB B:PRO431 4.8 56.8 1.0 CA B:SER362 4.8 26.2 1.0 C B:ASN364 4.8 26.3 1.0 O B:ASN363 4.9 35.4 1.0

R.K.Bedi, F.Zalesak, A.Caflisch. Crystal Structure of YTHDC1 in Complex with Compound 12 (ZA_341) To Be Published.