Chlorine in PDB 8qmh: Crystal Structure of Rna G2C4 Repeats in Complex with Small Synthetic Molecule ANP77

The structure of Crystal Structure of Rna G2C4 Repeats in Complex with Small Synthetic Molecule ANP77, PDB code: 8qmh was solved by A.Kiliszek, M.Ryczek, L.Blaszczyk, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	21.85 / 1.10
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	29.343, 45.179, 86.28, 90, 90, 90
R / Rfree (%)	12.2 / 17.4

The binding sites of Chlorine atom in the Crystal Structure of Rna G2C4 Repeats in Complex with Small Synthetic Molecule ANP77 (pdb code 8qmh). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Rna G2C4 Repeats in Complex with Small Synthetic Molecule ANP77, PDB code: 8qmh:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Rna G2C4 Repeats in Complex with Small Synthetic Molecule ANP77


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 Rna G2C4 Repeats in Complex with Small Synthetic Molecule ANP77 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl102 b:34.2 occ:1.00 CL C:CL101 3.0 45.9 0.7 O B:HOH210 3.2 19.2 1.0 O B:HOH218 3.3 35.8 1.0 N4 B:C4 3.4 9.1 1.0 O B:HOH222 3.5 30.5 1.0 N4 C:C4 3.6 8.1 1.0 O C:HOH219 3.8 19.2 1.0 N4 B:C3 3.8 8.1 1.0 CL C:CL101 3.9 13.6 0.3 C5 B:C3 4.0 8.8 1.0 O B:HOH224 4.0 45.6 1.0 O B:HOH219 4.1 34.5 1.0 C5 B:C4 4.1 9.9 1.0 C4 B:C3 4.2 8.3 1.0 C4 B:C4 4.2 8.7 1.0 C4 C:C4 4.7 7.0 1.0 N4 B:C5 4.7 5.2 0.4 N4 B:C5 4.7 6.3 0.6 O C:HOH220 4.9 29.8 1.0 C6 B:C3 4.9 9.5 1.0 C5 C:C4 5.0 8.0 1.0 OP2 B:C3 5.0 15.2 0.5

Chlorine binding site 2 out of 4 in the Crystal Structure of Rna G2C4 Repeats in Complex with Small Synthetic Molecule ANP77


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 Rna G2C4 Repeats in Complex with Small Synthetic Molecule ANP77 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl103 b:17.3 occ:0.69 O D:HOH111 3.0 15.9 1.0 N4 D:C3 3.2 8.5 1.0 O D:HOH116 3.3 17.1 1.0 N3 B:C6 3.4 6.6 1.0 C2 B:C6 3.4 7.4 1.0 C4 B:C6 3.5 6.6 1.0 N1 B:C6 3.6 7.7 1.0 C5 B:C6 3.7 7.0 1.0 C5 D:C3 3.7 8.2 1.0 C6 B:C6 3.7 8.2 1.0 C2' B:C6 3.7 8.1 0.5 C2' B:C6 3.8 11.0 0.5 C4 D:C3 3.9 7.9 1.0 O2 B:C6 4.0 7.9 1.0 C3' B:C6 4.0 8.8 0.5 N4 B:C6 4.1 7.2 1.0 C1' B:C6 4.3 7.4 0.5 C3' B:C6 4.4 9.3 0.5 C1' B:C6 4.4 8.1 0.5 N7 D:G2 4.5 5.8 0.6 O3' B:C6 4.5 12.2 0.5 O D:HOH112 4.7 34.7 1.0 N7 D:G2 4.8 6.7 0.4 O2' B:C6 4.9 10.3 0.5 O2' B:C6 4.9 13.5 0.5 C6 D:C3 4.9 7.7 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Rna G2C4 Repeats in Complex with Small Synthetic Molecule ANP77


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Rna G2C4 Repeats in Complex with Small Synthetic Molecule ANP77 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl101 b:13.6 occ:0.26 CL C:CL101 0.0 13.6 0.3 CL C:CL101 0.9 45.9 0.7 O C:HOH217 2.6 17.7 1.0 O B:HOH222 2.7 30.5 1.0 O C:HOH201 2.8 25.7 1.0 N4 C:C5 2.9 7.9 1.0 C5 C:C5 3.4 7.1 1.0 C4 C:C5 3.6 7.0 1.0 N4 C:C4 3.6 8.1 1.0 C4 C:C4 3.8 7.0 1.0 N4 C:C6 3.9 8.4 1.0 CL B:CL102 3.9 34.2 1.0 C5 C:C4 4.1 8.0 1.0 N4 B:C3 4.1 8.1 1.0 O C:HOH208 4.1 30.9 1.0 N3 C:C4 4.5 6.5 1.0 O B:HOH224 4.6 45.6 1.0 C6 C:C5 4.6 7.4 1.0 O C:HOH215 4.7 15.3 1.0 C4 C:C6 4.7 8.7 1.0 N4 B:C4 4.8 9.1 1.0 C6 C:C4 4.8 7.8 1.0 N3 C:C5 4.9 7.3 1.0 O6 A:G1 4.9 7.7 1.0 O6 A:G2 4.9 7.0 0.6 C5 C:C6 5.0 7.9 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Rna G2C4 Repeats in Complex with Small Synthetic Molecule ANP77


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Rna G2C4 Repeats in Complex with Small Synthetic Molecule ANP77 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl101 b:45.9 occ:0.74 CL C:CL101 0.0 45.9 0.7 CL C:CL101 0.9 13.6 0.3 O B:HOH222 2.1 30.5 1.0 CL B:CL102 3.0 34.2 1.0 O C:HOH217 3.3 17.7 1.0 O C:HOH201 3.3 25.7 1.0 N4 C:C4 3.4 8.1 1.0 N4 C:C5 3.4 7.9 1.0 N4 B:C3 3.7 8.1 1.0 C4 C:C4 3.8 7.0 1.0 O B:HOH224 4.0 45.6 1.0 C5 C:C4 4.0 8.0 1.0 O C:HOH208 4.1 30.9 1.0 C5 C:C5 4.2 7.1 1.0 C4 C:C5 4.3 7.0 1.0 N4 B:C4 4.3 9.1 1.0 N4 C:C6 4.4 8.4 1.0 O B:HOH219 4.6 34.5 1.0 N3 C:C4 4.7 6.5 1.0 C4 B:C3 4.8 8.3 1.0 O6 A:G2 5.0 7.0 0.6 C6 C:C4 5.0 7.8 1.0 O6 A:G1 5.0 7.7 1.0

L.Blaszczyk, M.Ryczek, B.Das, M.Mateja-Pluta, M.Bejger, K.Nakatani, A.Kiliszek. Antisense Rna C9ORF72 Hexanucleotide Repeat Associated with Als/Ftd Forms A Triplex-Like Structure and Binds Small Synthetic Molecule ANP77 To Be Published.