Chlorine in PDB 8q2r: Crystal Structure of YTHDC1 in Complex with Compound 3 (ZA_431)

The structure of Crystal Structure of YTHDC1 in Complex with Compound 3 (ZA_431), PDB code: 8q2r was solved by R.K.Bedi, F.Zalesak, Y.Li, A.Caflisch, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.55 / 1.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	40.01, 103.52, 41.9, 90, 104.57, 90
R / Rfree (%)	20.8 / 23

The binding sites of Chlorine atom in the Crystal Structure of YTHDC1 in Complex with Compound 3 (ZA_431) (pdb code 8q2r). 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 3 (ZA_431), PDB code: 8q2r:
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 3 (ZA_431)


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 3 (ZA_431) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:47.0 occ:1.00 CL13 A:ITJ601 0.0 47.0 1.0 C12 A:ITJ601 1.8 41.3 1.0 N04 A:ITJ601 2.7 40.0 1.0 N11 A:ITJ601 2.8 39.1 1.0 ND2 A:ASN364 3.1 50.4 1.0 ND2 A:ASN367 3.3 43.5 1.0 CG A:ASN364 3.3 45.7 1.0 OD1 A:ASN364 3.4 43.1 1.0 N A:ASN364 3.6 38.1 1.0 CG A:PRO431 3.6 61.5 1.0 N A:ASN363 3.6 38.0 1.0 OG A:SER362 3.8 36.6 1.0 CD A:PRO431 3.8 62.6 1.0 CB A:ASN363 3.8 45.3 1.0 O A:VAL429 3.8 57.8 1.0 CE A:MET434 3.9 54.7 1.0 CA A:ASN363 4.0 41.2 1.0 C A:ASN363 4.0 42.9 1.0 C08 A:ITJ601 4.1 37.0 1.0 CG A:ASN367 4.1 43.3 1.0 C03 A:ITJ601 4.1 40.4 1.0 CB A:ASN364 4.3 42.4 1.0 CB A:ASN367 4.4 39.6 1.0 CA A:ASN364 4.4 41.9 1.0 C A:SER362 4.6 39.5 1.0 C07 A:ITJ601 4.6 38.6 1.0 O A:ASN364 4.7 35.4 1.0 CG A:ASN363 4.7 47.1 1.0 OD1 A:ASN363 4.8 51.6 1.0 CA A:SER362 4.9 35.3 1.0 CB A:SER362 4.9 37.5 1.0 C A:ASN364 5.0 39.7 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of YTHDC1 in Complex with Compound 3 (ZA_431)


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 3 (ZA_431) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl601 b:36.8 occ:1.00 CL13 B:ITJ601 0.0 36.8 1.0 C12 B:ITJ601 1.8 35.3 1.0 N04 B:ITJ601 2.8 35.0 1.0 N11 B:ITJ601 2.8 33.2 1.0 ND2 B:ASN364 3.1 37.8 1.0 CG B:ASN364 3.3 37.9 1.0 N B:ASN364 3.3 35.7 1.0 CG B:PRO431 3.4 44.9 1.0 ND2 B:ASN367 3.4 32.2 1.0 N B:ASN363 3.4 35.2 1.0 OD1 B:ASN364 3.4 36.4 1.0 OG B:SER362 3.6 33.3 1.0 C B:ASN363 3.8 39.1 1.0 CA B:ASN363 3.9 39.4 1.0 CD B:PRO431 3.9 43.0 1.0 CB B:ASN363 3.9 40.5 1.0 C08 B:ITJ601 4.1 30.1 1.0 CB B:ASN364 4.1 36.4 1.0 C03 B:ITJ601 4.1 35.0 1.0 O B:VAL429 4.2 36.1 1.0 CG B:ASN367 4.2 31.5 1.0 CA B:ASN364 4.2 35.4 1.0 CB B:ASN367 4.4 28.6 1.0 C B:SER362 4.4 32.2 1.0 C07 B:ITJ601 4.6 31.9 1.0 O B:ASN364 4.7 37.4 1.0 CB B:SER362 4.8 32.4 1.0 CB B:PRO431 4.8 50.1 1.0 CA B:SER362 4.8 33.2 1.0 O B:ASN363 4.8 42.5 1.0 C B:ASN364 4.9 35.9 1.0 CG B:ASN363 4.9 39.0 1.0

R.K.Bedi, F.Zalesak, Y.Li, A.Caflisch. Crystal Structure of YTHDC1 in Complex with Compound 3 (ZA_431) To Be Published.