Chlorine in PDB 8q3a: Crystal Structure of YTHDC1 in Complex with Compound 22 (ZA_393)

The structure of Crystal Structure of YTHDC1 in Complex with Compound 22 (ZA_393), PDB code: 8q3a 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 / 1.43
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	40.06, 103.53, 42.08, 90, 105.07, 90
R / Rfree (%)	21.6 / 24.2

The binding sites of Chlorine atom in the Crystal Structure of YTHDC1 in Complex with Compound 22 (ZA_393) (pdb code 8q3a). 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 22 (ZA_393), PDB code: 8q3a:
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 22 (ZA_393)


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 22 (ZA_393) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:52.4 occ:1.00 CL01 A:IYQ601 0.0 52.4 1.0 C02 A:IYQ601 1.8 40.6 1.0 ND2 A:ASN364 2.6 46.3 1.0 N22 A:IYQ601 2.8 41.5 1.0 N03 A:IYQ601 2.8 36.5 1.0 ND2 A:ASN367 2.9 39.0 1.0 CG A:ASN364 3.2 42.2 1.0 CG A:PRO431 3.3 58.6 1.0 N A:ASN363 3.5 38.6 1.0 OD1 A:ASN364 3.5 39.5 1.0 N A:ASN364 3.5 37.0 1.0 CB A:ASN363 3.6 44.9 1.0 CD A:PRO431 3.6 55.6 1.0 OG A:SER362 3.7 36.4 1.0 O A:VAL429 3.8 51.4 1.0 CA A:ASN363 3.8 41.6 1.0 C A:ASN363 4.0 37.2 1.0 CG A:ASN367 4.0 40.6 1.0 C04 A:IYQ601 4.1 36.5 1.0 CB A:ASN364 4.2 39.5 1.0 C08 A:IYQ601 4.2 41.3 1.0 CA A:ASN364 4.4 38.9 1.0 O A:HOH704 4.5 51.2 1.0 C A:SER362 4.5 33.2 1.0 CG A:ASN363 4.6 51.0 1.0 CB A:ASN367 4.6 34.7 1.0 C07 A:IYQ601 4.7 36.3 1.0 CB A:PRO431 4.7 61.5 1.0 O A:ASN364 4.7 32.1 1.0 N A:PRO431 4.7 59.9 1.0 CA A:SER362 4.8 30.8 1.0 OD1 A:ASN363 4.8 52.3 1.0 CB A:SER362 4.9 34.7 1.0 OD1 A:ASN367 4.9 40.2 1.0 O A:ASN363 5.0 40.0 1.0 C A:VAL429 5.0 52.2 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of YTHDC1 in Complex with Compound 22 (ZA_393)


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 22 (ZA_393) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl601 b:41.1 occ:1.00 CL01 B:IYQ601 0.0 41.1 1.0 C02 B:IYQ601 1.8 33.1 1.0 N22 B:IYQ601 2.7 30.6 1.0 N03 B:IYQ601 2.8 33.0 1.0 ND2 B:ASN364 3.0 33.0 1.0 CG B:ASN364 3.2 35.9 1.0 OD1 B:ASN364 3.3 34.6 1.0 ND2 B:ASN367 3.3 30.8 1.0 N B:ASN364 3.4 30.4 1.0 CG B:PRO431 3.4 42.6 1.0 N B:ASN363 3.5 29.0 1.0 OG B:SER362 3.6 29.2 1.0 CD B:PRO431 3.9 41.0 1.0 CA B:ASN363 4.0 34.0 1.0 C B:ASN363 4.0 32.2 1.0 CB B:ASN364 4.1 28.9 1.0 C04 B:IYQ601 4.1 27.0 1.0 C08 B:IYQ601 4.1 32.4 1.0 CB B:ASN363 4.1 37.3 1.0 O B:VAL429 4.2 32.0 1.0 CG B:ASN367 4.2 29.6 1.0 CA B:ASN364 4.2 34.7 1.0 CB B:ASN367 4.4 27.5 1.0 C B:SER362 4.5 27.1 1.0 O B:ASN364 4.6 31.8 1.0 C07 B:IYQ601 4.6 29.3 1.0 CB B:SER362 4.7 26.8 1.0 CA B:SER362 4.8 28.1 1.0 CB B:PRO431 4.9 47.2 1.0 C B:ASN364 4.9 30.3 1.0 O B:ASN363 5.0 33.4 1.0

R.K.Bedi, F.Zalesak, A.Caflisch. Crystal Structure of YTHDC1 in Complex with Compound 22 (ZA_393) To Be Published.