Chlorine in PDB 8q4q: Crystal Structure of YTHDC1 in Complex with Compound 29 (ZA_337)

The structure of Crystal Structure of YTHDC1 in Complex with Compound 29 (ZA_337), PDB code: 8q4q 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)	40.54 / 1.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	39.87, 103.6, 41.94, 90, 104.84, 90
R / Rfree (%)	21 / 23.8

The binding sites of Chlorine atom in the Crystal Structure of YTHDC1 in Complex with Compound 29 (ZA_337) (pdb code 8q4q). 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 29 (ZA_337), PDB code: 8q4q:
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 29 (ZA_337)


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 29 (ZA_337) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:51.1 occ:1.00 CL01 A:JIB601 0.0 51.1 1.0 C02 A:JIB601 1.8 37.2 1.0 N22 A:JIB601 2.8 37.0 1.0 N03 A:JIB601 2.8 34.4 1.0 ND2 A:ASN367 2.9 36.4 1.0 ND2 A:ASN364 3.0 43.4 1.0 CG A:ASN364 3.4 36.0 1.0 N A:ASN363 3.4 31.5 1.0 N A:ASN364 3.5 29.4 1.0 OG A:SER362 3.6 33.4 1.0 CB A:ASN363 3.7 38.3 1.0 OD1 A:ASN364 3.8 38.8 1.0 O A:VAL429 3.8 48.4 1.0 CA A:ASN363 3.8 36.5 1.0 CG A:ASN367 4.0 35.8 1.0 C A:ASN363 4.0 33.6 1.0 CG A:PRO431 4.0 59.2 1.0 CD A:PRO431 4.1 60.5 1.0 CB A:ASN364 4.1 35.5 1.0 C04 A:JIB601 4.1 31.6 1.0 C08 A:JIB601 4.2 36.2 1.0 CA A:ASN364 4.3 30.4 1.0 C A:SER362 4.4 29.7 1.0 CB A:ASN367 4.4 31.8 1.0 CG A:ASN363 4.6 40.6 1.0 O A:ASN364 4.6 30.2 1.0 C07 A:JIB601 4.7 34.1 1.0 CA A:SER362 4.7 27.0 1.0 CB A:SER362 4.8 29.9 1.0 ND2 A:ASN363 4.9 48.2 1.0 OD1 A:ASN367 4.9 35.8 1.0 C A:ASN364 4.9 32.9 1.0 N A:PRO431 5.0 63.2 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of YTHDC1 in Complex with Compound 29 (ZA_337)


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 29 (ZA_337) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl601 b:40.6 occ:1.00 CL01 B:JIB601 0.0 40.6 1.0 C02 B:JIB601 1.8 27.8 1.0 N22 B:JIB601 2.8 24.7 1.0 N03 B:JIB601 2.8 24.9 1.0 ND2 B:ASN364 2.9 29.8 1.0 CG B:ASN364 3.1 28.9 1.0 OD1 B:ASN364 3.2 29.4 1.0 ND2 B:ASN367 3.3 25.0 1.0 N B:ASN364 3.3 25.4 1.0 N B:ASN363 3.5 23.5 1.0 OG B:SER362 3.6 26.1 1.0 CB B:ASN363 3.7 28.8 1.0 CA B:ASN363 3.8 27.2 1.0 C B:ASN363 3.9 27.4 1.0 CB B:ASN364 4.0 24.6 1.0 CG B:PRO431 4.0 39.3 1.0 O B:VAL429 4.1 25.9 1.0 C04 B:JIB601 4.1 22.2 1.0 C08 B:JIB601 4.1 25.6 1.0 CA B:ASN364 4.1 26.7 1.0 CG B:ASN367 4.1 22.0 1.0 CD B:PRO431 4.3 37.3 1.0 CB B:ASN367 4.4 20.9 1.0 C B:SER362 4.4 23.6 1.0 O B:ASN364 4.6 27.7 1.0 C07 B:JIB601 4.6 23.1 1.0 CB B:SER362 4.7 22.6 1.0 CA B:SER362 4.8 25.4 1.0 C B:ASN364 4.8 26.1 1.0 CG B:ASN363 4.8 29.5 1.0 CB B:PRO431 4.9 43.6 1.0 O B:ASN363 4.9 32.5 1.0

R.K.Bedi, F.Zalesak, A.Caflisch. Crystal Structure of YTHDC1 in Complex with Compound 29 (ZA_337) To Be Published.