Chlorine in PDB 8q37: Crystal Structure of YTHDC1 in Complex with Compound 18 (ZA_312)

The structure of Crystal Structure of YTHDC1 in Complex with Compound 18 (ZA_312), PDB code: 8q37 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)	38.64 / 1.28
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	39.95, 103.55, 42.23, 90, 104.73, 90
R / Rfree (%)	21.1 / 23.3

The binding sites of Chlorine atom in the Crystal Structure of YTHDC1 in Complex with Compound 18 (ZA_312) (pdb code 8q37). 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 18 (ZA_312), PDB code: 8q37:
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 18 (ZA_312)


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 18 (ZA_312) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:42.7 occ:1.00 CL01 A:IWF601 0.0 42.7 1.0 C02 A:IWF601 1.8 33.5 1.0 N21 A:IWF601 2.8 35.0 1.0 N03 A:IWF601 2.8 29.2 1.0 ND2 A:ASN364 2.8 38.0 1.0 ND2 A:ASN367 3.1 29.6 1.0 CG A:ASN364 3.3 33.5 1.0 CB A:ASN363 3.4 38.1 1.0 N A:ASN363 3.4 29.8 1.0 N A:ASN364 3.5 28.9 1.0 OD1 A:ASN364 3.5 33.2 1.0 OG A:SER362 3.7 27.9 1.0 CA A:ASN363 3.7 33.8 1.0 O A:VAL429 3.8 40.8 1.0 CG A:PRO431 3.8 49.1 1.0 CD A:PRO431 3.9 47.1 1.0 C A:ASN363 3.9 32.1 1.0 CG A:ASN367 4.1 29.5 1.0 C04 A:IWF601 4.1 30.6 1.0 C08 A:IWF601 4.2 33.4 1.0 CB A:ASN364 4.3 33.6 1.0 O A:HOH715 4.3 43.2 1.0 CA A:ASN364 4.4 32.4 1.0 C A:SER362 4.4 28.9 1.0 CB A:ASN367 4.5 26.2 1.0 CG A:ASN363 4.6 41.5 1.0 C07 A:IWF601 4.7 31.5 1.0 O A:ASN364 4.7 26.5 1.0 CA A:SER362 4.8 26.1 1.0 CB A:SER362 4.8 25.8 1.0 ND2 A:ASN363 4.9 42.1 1.0 O A:ASN363 4.9 32.2 1.0 N A:PRO431 4.9 51.1 1.0 C A:VAL429 5.0 42.0 1.0 OD1 A:ASN367 5.0 30.6 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of YTHDC1 in Complex with Compound 18 (ZA_312)


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 18 (ZA_312) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl601 b:36.2 occ:1.00 CL01 B:IWF601 0.0 36.2 1.0 C02 B:IWF601 1.8 25.8 1.0 N21 B:IWF601 2.7 25.3 1.0 N03 B:IWF601 2.8 25.5 1.0 ND2 B:ASN364 3.0 30.1 1.0 CG B:ASN364 3.2 28.2 1.0 OD1 B:ASN364 3.2 28.6 1.0 ND2 B:ASN367 3.3 23.8 1.0 N B:ASN364 3.4 22.5 1.0 N B:ASN363 3.5 22.6 1.0 CB B:ASN363 3.5 28.8 1.0 OG B:SER362 3.6 24.2 1.0 CG B:PRO431 3.7 39.0 1.0 CA B:ASN363 3.8 26.8 1.0 CD B:PRO431 3.9 36.4 1.0 C B:ASN363 3.9 25.3 1.0 CB B:ASN364 4.1 24.8 1.0 C08 B:IWF601 4.1 25.4 1.0 C04 B:IWF601 4.1 23.7 1.0 O B:VAL429 4.1 26.3 1.0 CG B:ASN367 4.2 22.4 1.0 CA B:ASN364 4.2 25.2 1.0 CB B:ASN367 4.4 19.9 1.0 C B:SER362 4.5 22.7 1.0 C07 B:IWF601 4.6 23.0 1.0 CG B:ASN363 4.6 32.7 1.0 O B:ASN364 4.7 25.8 1.0 CB B:SER362 4.7 23.0 1.0 CA B:SER362 4.7 22.5 1.0 C B:ASN364 4.9 24.4 1.0 CB B:PRO431 4.9 40.5 1.0 C18 B:IWF601 5.0 37.5 1.0 O B:ASN363 5.0 27.0 1.0

R.K.Bedi, F.Zalesak, A.Caflisch. Crystal Structure of YTHDC1 in Complex with Compound 18 (ZA_312) To Be Published.