Zinc in PDB 4zql: Crystal Structure of TRIM24 with 3,4-Dimethoxy-N-(6-(4- Methoxyphenoxy)-1,3-Dimethyl-2-Oxo-2,3-Dihydro-1H-Benzo[D]Imidazol-5- Yl)Benzenesulfonamide Inhibitor

The structure of Crystal Structure of TRIM24 with 3,4-Dimethoxy-N-(6-(4- Methoxyphenoxy)-1,3-Dimethyl-2-Oxo-2,3-Dihydro-1H-Benzo[D]Imidazol-5- Yl)Benzenesulfonamide Inhibitor, PDB code: 4zql was solved by C.Tallant, Structural Genomics Consortium (Sgc), P.G.K.Clark, L.C.C.Vieira, T.Krojer, G.Nunez-Alonso, S.Picaud, O.Fedorov, D.J.Dixon, F.Von Delft, C.H.Arrowsmith, A.M.Edwards, C.Bountra, P.E.Brennan, S.Knapp, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.84 / 1.79
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	89.414, 36.661, 128.989, 90.00, 109.87, 90.00
R / Rfree (%)	15.9 / 19.9

The binding sites of Zinc atom in the Crystal Structure of TRIM24 with 3,4-Dimethoxy-N-(6-(4- Methoxyphenoxy)-1,3-Dimethyl-2-Oxo-2,3-Dihydro-1H-Benzo[D]Imidazol-5- Yl)Benzenesulfonamide Inhibitor (pdb code 4zql). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Crystal Structure of TRIM24 with 3,4-Dimethoxy-N-(6-(4- Methoxyphenoxy)-1,3-Dimethyl-2-Oxo-2,3-Dihydro-1H-Benzo[D]Imidazol-5- Yl)Benzenesulfonamide Inhibitor, PDB code: 4zql:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Crystal Structure of TRIM24 with 3,4-Dimethoxy-N-(6-(4- Methoxyphenoxy)-1,3-Dimethyl-2-Oxo-2,3-Dihydro-1H-Benzo[D]Imidazol-5- Yl)Benzenesulfonamide Inhibitor


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of TRIM24 with 3,4-Dimethoxy-N-(6-(4- Methoxyphenoxy)-1,3-Dimethyl-2-Oxo-2,3-Dihydro-1H-Benzo[D]Imidazol-5- Yl)Benzenesulfonamide Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1101 b:24.6 occ:1.00 ND1 A:HIS849 2.1 20.7 1.0 SG A:CYS852 2.3 25.0 1.0 SG A:CYS829 2.3 23.2 1.0 SG A:CYS832 2.3 25.1 1.0 CE1 A:HIS849 3.0 24.8 1.0 CB A:CYS829 3.1 25.3 1.0 CB A:CYS852 3.2 22.6 1.0 CG A:HIS849 3.2 25.8 1.0 CB A:CYS832 3.3 26.5 1.0 CB A:HIS849 3.6 23.0 1.0 N A:CYS832 3.8 23.9 1.0 N A:HIS849 4.0 26.4 1.0 CA A:CYS832 4.1 25.3 1.0 NE2 A:HIS849 4.2 25.9 1.0 CD2 A:HIS849 4.3 26.3 1.0 CA A:HIS849 4.5 24.8 1.0 CA A:CYS829 4.6 25.8 1.0 CB A:VAL831 4.6 23.2 1.0 CA A:CYS852 4.6 21.4 1.0 C A:CYS832 4.8 28.9 1.0 C A:VAL831 4.8 25.4 1.0

Zinc binding site 2 out of 4 in the Crystal Structure of TRIM24 with 3,4-Dimethoxy-N-(6-(4- Methoxyphenoxy)-1,3-Dimethyl-2-Oxo-2,3-Dihydro-1H-Benzo[D]Imidazol-5- Yl)Benzenesulfonamide Inhibitor


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of TRIM24 with 3,4-Dimethoxy-N-(6-(4- Methoxyphenoxy)-1,3-Dimethyl-2-Oxo-2,3-Dihydro-1H-Benzo[D]Imidazol-5- Yl)Benzenesulfonamide Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1102 b:31.1 occ:1.00 SG A:CYS841 2.2 35.2 1.0 SG A:CYS844 2.3 33.1 1.0 SG A:CYS870 2.4 34.0 1.0 SG A:CYS867 2.4 24.7 1.0 CB A:CYS841 3.3 34.2 1.0 CB A:CYS870 3.3 27.6 1.0 CB A:CYS844 3.3 33.5 1.0 CB A:CYS867 3.5 25.6 1.0 N A:CYS844 3.9 38.7 1.0 N A:CYS867 4.0 27.3 1.0 N A:CYS870 4.1 24.2 1.0 CA A:CYS844 4.1 35.4 1.0 CA A:CYS867 4.2 25.1 1.0 CA A:CYS870 4.3 27.6 1.0 C A:LYS843 4.7 46.8 1.0 O A:CYS867 4.7 23.8 1.0 CA A:CYS841 4.7 33.5 1.0 CB A:LYS843 4.7 39.6 1.0 C A:CYS844 4.7 37.0 1.0 C A:CYS867 4.7 25.6 1.0 CB A:PHE869 4.7 23.1 1.0 O A:CYS844 4.8 37.1 1.0 N A:LYS843 4.9 42.0 1.0

Zinc binding site 3 out of 4 in the Crystal Structure of TRIM24 with 3,4-Dimethoxy-N-(6-(4- Methoxyphenoxy)-1,3-Dimethyl-2-Oxo-2,3-Dihydro-1H-Benzo[D]Imidazol-5- Yl)Benzenesulfonamide Inhibitor


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of TRIM24 with 3,4-Dimethoxy-N-(6-(4- Methoxyphenoxy)-1,3-Dimethyl-2-Oxo-2,3-Dihydro-1H-Benzo[D]Imidazol-5- Yl)Benzenesulfonamide Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1101 b:20.6 occ:1.00 ND1 B:HIS849 2.1 21.0 1.0 SG B:CYS852 2.3 21.3 1.0 SG B:CYS829 2.3 20.4 1.0 SG B:CYS832 2.4 21.4 1.0 CE1 B:HIS849 3.0 20.5 1.0 CB B:CYS829 3.1 21.4 1.0 CB B:CYS852 3.2 19.1 1.0 CG B:HIS849 3.2 20.9 1.0 CB B:CYS832 3.3 22.2 1.0 CB B:HIS849 3.6 23.5 1.0 N B:CYS832 3.9 22.4 1.0 N B:HIS849 4.1 19.8 1.0 CA B:CYS832 4.2 21.7 1.0 NE2 B:HIS849 4.2 25.7 1.0 CD2 B:HIS849 4.3 22.7 1.0 O B:HOH1303 4.3 57.4 1.0 CA B:HIS849 4.5 19.6 1.0 CA B:CYS829 4.5 21.0 1.0 CA B:CYS852 4.6 17.5 1.0 CB B:VAL831 4.7 19.5 1.0 C B:CYS832 4.9 21.0 1.0 C B:VAL831 5.0 22.4 1.0

Zinc binding site 4 out of 4 in the Crystal Structure of TRIM24 with 3,4-Dimethoxy-N-(6-(4- Methoxyphenoxy)-1,3-Dimethyl-2-Oxo-2,3-Dihydro-1H-Benzo[D]Imidazol-5- Yl)Benzenesulfonamide Inhibitor


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Structure of TRIM24 with 3,4-Dimethoxy-N-(6-(4- Methoxyphenoxy)-1,3-Dimethyl-2-Oxo-2,3-Dihydro-1H-Benzo[D]Imidazol-5- Yl)Benzenesulfonamide Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1102 b:25.1 occ:1.00 SG B:CYS841 2.3 27.5 1.0 SG B:CYS844 2.3 27.5 1.0 SG B:CYS870 2.3 26.8 1.0 SG B:CYS867 2.3 21.4 1.0 CB B:CYS844 3.2 29.7 1.0 CB B:CYS841 3.3 26.2 1.0 CB B:CYS870 3.3 21.5 1.0 CB B:CYS867 3.5 20.2 1.0 N B:CYS844 3.9 30.3 1.0 N B:CYS867 4.1 19.2 1.0 CA B:CYS844 4.1 32.0 1.0 N B:CYS870 4.2 18.9 1.0 CA B:CYS867 4.3 17.8 1.0 CA B:CYS870 4.4 23.6 1.0 C B:LYS843 4.5 34.7 1.0 C B:CYS844 4.7 30.3 1.0 O B:CYS867 4.7 19.2 1.0 CA B:CYS841 4.7 28.2 1.0 C B:CYS867 4.8 18.5 1.0 CB B:PHE869 4.8 19.7 1.0 CB B:LYS843 4.8 32.3 1.0 O B:CYS844 4.9 30.3 1.0 N B:LYS843 4.9 29.3 1.0 CA B:LYS843 4.9 31.0 1.0

P.G.Clark, L.C.Vieira, C.Tallant, O.Fedorov, D.C.Singleton, C.M.Rogers, O.P.Monteiro, J.M.Bennett, R.Baronio, S.Muller, D.L.Daniels, J.Mendez, S.Knapp, P.E.Brennan, D.J.Dixon. Crystal Structure of TRIM24 with 3,4-Dimethoxy-N-(6-(4-Methoxyphenoxy)-1,3-Dimethyl-2-Oxo-2, 3-Dihydro-1H-Benzo[D]Imidazol-5-Yl)Benzenesulfonamide Inhibitor To Be Published.