Chlorine in PDB 8q32: Crystal Structure of YTHDC1 in Complex with Compound 13 (ZA_364)

The structure of Crystal Structure of YTHDC1 in Complex with Compound 13 (ZA_364), PDB code: 8q32 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)	36.43 / 1.43
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	40.15, 104.07, 41.99, 90, 104.42, 90
R / Rfree (%)	22.4 / 24.8

The binding sites of Chlorine atom in the Crystal Structure of YTHDC1 in Complex with Compound 13 (ZA_364) (pdb code 8q32). 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 13 (ZA_364), PDB code: 8q32:
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 13 (ZA_364)


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 13 (ZA_364) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:46.5 occ:1.00 CL01 A:IW0601 0.0 46.5 1.0 C02 A:IW0601 1.8 34.8 1.0 N24 A:IW0601 2.8 37.5 1.0 N03 A:IW0601 2.8 34.2 1.0 ND2 A:ASN367 2.8 33.0 1.0 ND2 A:ASN364 3.0 40.6 1.0 N A:ASN363 3.4 33.0 1.0 CG A:ASN364 3.5 35.3 1.0 CB A:ASN363 3.5 38.2 1.0 N A:ASN364 3.6 33.6 1.0 OG A:SER362 3.7 31.9 1.0 OD1 A:ASN364 3.8 36.9 1.0 O A:VAL429 3.8 44.6 1.0 CG A:PRO431 3.8 54.9 1.0 CA A:ASN363 3.8 36.6 1.0 CG A:ASN367 3.9 32.3 1.0 C A:ASN363 4.1 35.6 1.0 C04 A:IW0601 4.1 33.5 1.0 CD A:PRO431 4.1 54.4 1.0 C08 A:IW0601 4.2 37.8 1.0 CB A:ASN367 4.4 29.3 1.0 CB A:ASN364 4.5 38.1 1.0 C A:SER362 4.5 31.2 1.0 O A:HOH766 4.5 44.9 1.0 CG A:ASN363 4.5 44.5 1.0 CA A:ASN364 4.6 35.8 1.0 C07 A:IW0601 4.7 32.8 1.0 CA A:SER362 4.7 31.4 1.0 OD1 A:ASN367 4.8 30.5 1.0 CB A:SER362 4.8 34.7 1.0 O A:ASN364 4.9 31.9 1.0 ND2 A:ASN363 4.9 44.9 1.0 C A:VAL429 5.0 46.4 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of YTHDC1 in Complex with Compound 13 (ZA_364)


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 13 (ZA_364) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl601 b:37.9 occ:1.00 CL01 B:IW0601 0.0 37.9 1.0 C02 B:IW0601 1.8 28.1 1.0 N24 B:IW0601 2.7 25.6 1.0 N03 B:IW0601 2.8 26.3 1.0 ND2 B:ASN364 2.8 28.9 1.0 ND2 B:ASN367 3.2 25.6 1.0 CG B:ASN364 3.2 28.8 1.0 N B:ASN363 3.4 26.7 1.0 N B:ASN364 3.5 25.7 1.0 OD1 B:ASN364 3.5 29.6 1.0 OG B:SER362 3.6 26.8 1.0 CB B:ASN363 3.7 29.4 1.0 CA B:ASN363 3.9 27.1 1.0 C B:ASN363 4.0 25.1 1.0 O B:VAL429 4.0 25.6 1.0 CD B:PRO431 4.0 33.8 1.0 C04 B:IW0601 4.1 24.9 1.0 CG B:ASN367 4.1 23.9 1.0 C08 B:IW0601 4.1 26.8 1.0 CB B:ASN364 4.1 25.9 1.0 CA B:ASN364 4.3 30.5 1.0 C B:SER362 4.4 25.0 1.0 CB B:ASN367 4.4 23.3 1.0 CG B:PRO431 4.5 42.9 1.0 O B:HOH800 4.6 36.9 1.0 C07 B:IW0601 4.6 23.2 1.0 CA B:SER362 4.7 22.9 1.0 O B:ASN364 4.7 29.1 1.0 CB B:SER362 4.7 24.6 1.0 CG B:ASN363 4.9 32.7 1.0 C B:ASN364 5.0 25.6 1.0 OD1 B:ASN363 5.0 35.6 1.0

R.K.Bedi, F.Zalesak, A.Caflisch. Crystal Structure of YTHDC1 in Complex with Compound 13 (ZA_364) To Be Published.