Chlorine in PDB 8q2s: Crystal Structure of YTHDC1 in Complex with Compound 4 (ZA_232)

The structure of Crystal Structure of YTHDC1 in Complex with Compound 4 (ZA_232), PDB code: 8q2s 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)	40.63 / 1.41
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	39.91, 103.68, 42.09, 90, 105.12, 90
R / Rfree (%)	19.7 / 22.6

The binding sites of Chlorine atom in the Crystal Structure of YTHDC1 in Complex with Compound 4 (ZA_232) (pdb code 8q2s). 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 4 (ZA_232), PDB code: 8q2s:
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 4 (ZA_232)


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 4 (ZA_232) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:45.3 occ:1.00 CL01 A:IU2601 0.0 45.3 1.0 C02 A:IU2601 1.8 34.0 1.0 ND2 A:ASN367 2.6 29.1 1.0 N18 A:IU2601 2.8 36.3 1.0 N03 A:IU2601 2.8 33.6 1.0 ND2 A:ASN364 2.9 34.6 1.0 CG A:ASN364 3.3 32.6 1.0 N A:ASN363 3.5 26.6 1.0 OD1 A:ASN364 3.5 30.5 1.0 O A:VAL429 3.5 41.0 1.0 N A:ASN364 3.6 23.1 1.0 CB A:ASN363 3.7 37.8 1.0 CG A:ASN367 3.7 26.4 1.0 OG A:SER362 3.7 27.8 1.0 CG A:PRO431 3.7 53.0 1.0 CD A:PRO431 3.9 50.5 1.0 CA A:ASN363 3.9 30.5 1.0 C A:ASN363 4.1 28.8 1.0 C04 A:IU2601 4.1 28.8 1.0 C08 A:IU2601 4.2 34.9 1.0 CB A:ASN367 4.3 25.5 1.0 CB A:ASN364 4.4 26.2 1.0 C A:SER362 4.5 23.6 1.0 CA A:ASN364 4.5 25.4 1.0 OD1 A:ASN367 4.7 27.8 1.0 C07 A:IU2601 4.7 34.8 1.0 C A:VAL429 4.8 43.1 1.0 O A:ASN364 4.8 20.8 1.0 CA A:SER362 4.8 24.1 1.0 O A:HOH832 4.8 37.2 1.0 CB A:SER362 4.8 25.0 1.0 N A:PRO431 4.9 53.0 1.0 CG A:ASN363 5.0 39.2 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of YTHDC1 in Complex with Compound 4 (ZA_232)


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 4 (ZA_232) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl601 b:35.9 occ:1.00 CL01 B:IU2601 0.0 35.9 1.0 C02 B:IU2601 1.8 28.4 1.0 N03 B:IU2601 2.8 27.5 1.0 N18 B:IU2601 2.8 27.8 1.0 ND2 B:ASN364 3.0 25.6 1.0 ND2 B:ASN367 3.2 21.2 1.0 CG B:ASN364 3.2 27.4 1.0 OD1 B:ASN364 3.5 26.4 1.0 N B:ASN364 3.5 20.6 1.0 CG B:PRO431 3.6 35.2 1.0 N B:ASN363 3.6 22.4 1.0 OG B:SER362 3.7 25.3 1.0 CB B:ASN363 3.7 29.2 1.0 CA B:ASN363 4.0 25.4 1.0 CD B:PRO431 4.0 31.3 1.0 O B:VAL429 4.1 21.9 1.0 C04 B:IU2601 4.1 22.8 1.0 C B:ASN363 4.1 23.7 1.0 CG B:ASN367 4.1 21.0 1.0 CB B:ASN364 4.1 21.1 1.0 C08 B:IU2601 4.2 28.8 1.0 CA B:ASN364 4.3 24.5 1.0 CB B:ASN367 4.4 17.7 1.0 C B:SER362 4.6 20.2 1.0 C07 B:IU2601 4.7 24.1 1.0 O B:ASN364 4.7 23.6 1.0 CB B:SER362 4.8 21.2 1.0 CA B:SER362 4.8 22.2 1.0 CG B:ASN363 4.9 36.3 1.0 CB B:PRO431 5.0 38.2 1.0 C B:ASN364 5.0 21.4 1.0

R.K.Bedi, F.Zalesak, A.Caflisch. Crystal Structure of YTHDC1 in Complex with Compound 4 (ZA_232) To Be Published.