Chlorine in PDB 8q33: Crystal Structure of YTHDC1 in Complex with Compound 15 (ZA_343)

The structure of Crystal Structure of YTHDC1 in Complex with Compound 15 (ZA_343), PDB code: 8q33 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)	40.75 / 1.43
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	40.17, 103.47, 42.12, 90, 104.66, 90
R / Rfree (%)	20.6 / 22.9

The structure of Crystal Structure of YTHDC1 in Complex with Compound 15 (ZA_343) also contains other interesting chemical elements:

Fluorine

(F)

3 atoms

The binding sites of Chlorine atom in the Crystal Structure of YTHDC1 in Complex with Compound 15 (ZA_343) (pdb code 8q33). 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 15 (ZA_343), PDB code: 8q33:
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 15 (ZA_343)


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 15 (ZA_343) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:57.4 occ:1.00 CL01 A:IWV601 0.0 57.4 1.0 C02 A:IWV601 1.8 40.9 1.0 N26 A:IWV601 2.8 43.7 1.0 N03 A:IWV601 2.8 39.2 1.0 ND2 A:ASN367 2.8 39.8 1.0 ND2 A:ASN364 2.8 49.0 1.0 CG A:ASN364 3.3 41.9 1.0 OD1 A:ASN364 3.4 41.3 1.0 N A:ASN363 3.5 36.2 1.0 N A:ASN364 3.5 36.4 1.0 CB A:ASN363 3.6 44.7 1.0 OG A:SER362 3.7 36.7 1.0 O A:VAL429 3.8 53.7 1.0 CA A:ASN363 3.9 40.1 1.0 CG A:PRO431 3.9 61.4 1.0 CG A:ASN367 3.9 40.0 1.0 C A:ASN363 4.0 38.2 1.0 CD A:PRO431 4.0 60.1 1.0 C04 A:IWV601 4.1 36.8 1.0 C08 A:IWV601 4.2 43.0 1.0 CB A:ASN364 4.3 40.4 1.0 CB A:ASN367 4.4 34.1 1.0 CA A:ASN364 4.4 39.0 1.0 C A:SER362 4.5 34.8 1.0 O A:ASN364 4.7 34.7 1.0 C07 A:IWV601 4.7 40.6 1.0 CG A:ASN363 4.7 48.8 1.0 CA A:SER362 4.8 32.8 1.0 CB A:SER362 4.8 35.4 1.0 OD1 A:ASN367 4.8 39.1 1.0 OD1 A:ASN363 4.9 50.1 1.0 C A:ASN364 5.0 37.3 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of YTHDC1 in Complex with Compound 15 (ZA_343)


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 15 (ZA_343) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl601 b:48.2 occ:1.00 CL01 B:IWV601 0.0 48.2 1.0 C02 B:IWV601 1.8 33.8 1.0 N26 B:IWV601 2.8 33.1 1.0 N03 B:IWV601 2.8 30.1 1.0 ND2 B:ASN364 3.0 33.5 1.0 CG B:ASN364 3.1 34.9 1.0 OD1 B:ASN364 3.2 33.3 1.0 N B:ASN364 3.2 29.4 1.0 ND2 B:ASN367 3.4 26.5 1.0 N B:ASN363 3.4 30.3 1.0 OG B:SER362 3.5 30.8 1.0 C B:ASN363 3.8 32.6 1.0 CA B:ASN363 3.8 34.7 1.0 CB B:ASN363 3.8 39.4 1.0 CB B:ASN364 3.9 29.7 1.0 CD B:PRO431 4.0 41.6 1.0 CA B:ASN364 4.1 32.4 1.0 C04 B:IWV601 4.1 26.8 1.0 C08 B:IWV601 4.1 32.5 1.0 O B:VAL429 4.2 28.8 1.0 CG B:ASN367 4.2 25.9 1.0 CG B:PRO431 4.4 48.4 1.0 CB B:ASN367 4.4 24.4 1.0 C B:SER362 4.4 27.5 1.0 O B:ASN364 4.5 31.4 1.0 C07 B:IWV601 4.6 27.1 1.0 CB B:SER362 4.7 28.1 1.0 CA B:SER362 4.7 28.0 1.0 C B:ASN364 4.8 28.1 1.0 O B:ASN363 4.8 35.6 1.0 CB B:PRO431 4.9 50.9 1.0

R.K.Bedi, F.Zalesak, A.Caflisch. Crystal Structure of YTHDC1 in Complex with Compound 15 (ZA_343) To Be Published.