Iodine in PDB 2xnh: Structure and Function of the RAD9-Binding Region of the Dna Damage Checkpoint Adaptor TOPBP1

The structure of Structure and Function of the RAD9-Binding Region of the Dna Damage Checkpoint Adaptor TOPBP1, PDB code: 2xnh was solved by M.Rappas, A.W.Oliver, L.H.Pearl, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.263 / 2.80
Space group	P 21 3
Cell size a, b, c (Å), α, β, γ (°)	115.770, 115.770, 115.770, 90.00, 90.00, 90.00
R / Rfree (%)	23.18 / 25.13

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 17;

Binding sites:

The binding sites of Iodine atom in the Structure and Function of the RAD9-Binding Region of the Dna Damage Checkpoint Adaptor TOPBP1 (pdb code 2xnh). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 17 binding sites of Iodine where determined in the Structure and Function of the RAD9-Binding Region of the Dna Damage Checkpoint Adaptor TOPBP1, PDB code: 2xnh:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 17 in the Structure and Function of the RAD9-Binding Region of the Dna Damage Checkpoint Adaptor TOPBP1


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Structure and Function of the RAD9-Binding Region of the Dna Damage Checkpoint Adaptor TOPBP1 within 5.0Å range: probe atom residue distance (Å) B Occ A:I1288 b:36.4 occ:1.00 N A:LYS118 3.7 31.2 1.0 N A:GLU119 3.8 32.5 1.0 CB A:GLU117 4.0 44.2 1.0 CB A:LYS118 4.1 34.7 1.0 CB A:GLU119 4.3 39.6 1.0 CA A:LYS118 4.3 31.8 1.0 C A:GLU117 4.3 36.6 1.0 CA A:GLU117 4.4 39.0 1.0 C A:LYS118 4.6 34.3 1.0 O A:HOH2027 4.6 27.9 1.0 CA A:GLU119 4.7 34.7 1.0 CG A:GLU117 4.9 52.5 1.0 OE2 A:GLU119 4.9 62.4 1.0

Iodine binding site 2 out of 17 in the Structure and Function of the RAD9-Binding Region of the Dna Damage Checkpoint Adaptor TOPBP1


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Structure and Function of the RAD9-Binding Region of the Dna Damage Checkpoint Adaptor TOPBP1 within 5.0Å range: probe atom residue distance (Å) B Occ A:I1289 b:45.8 occ:1.00 N A:LEU116 3.8 29.2 1.0 O A:LEU116 3.8 38.9 1.0 NH1 A:ARG121 3.8 47.0 1.0 CB A:LEU116 3.9 34.1 1.0 CA A:THR114 3.9 30.9 1.0 N A:THR114 3.9 27.9 1.0 C A:CYS113 3.9 28.8 1.0 O A:CYS113 3.9 21.8 1.0 CG A:ARG121 4.0 37.4 1.0 C A:THR114 4.1 30.9 1.0 N A:SER115 4.1 25.6 1.0 CB A:CYS113 4.1 21.6 1.0 CZ A:ARG121 4.2 51.8 1.0 CA A:LEU116 4.2 31.5 1.0 CB A:ARG121 4.3 36.0 1.0 C A:LEU116 4.4 37.2 1.0 NE A:ARG121 4.5 50.5 1.0 CG A:LEU116 4.6 35.5 1.0 CD A:ARG121 4.6 44.5 1.0 CA A:CYS113 4.7 27.1 1.0 O A:THR114 4.7 39.0 1.0 NH2 A:ARG121 4.7 59.0 1.0 CD1 A:LEU116 4.7 33.3 1.0 C A:SER115 4.8 29.0 1.0 CA A:SER115 5.0 27.6 1.0

Iodine binding site 3 out of 17 in the Structure and Function of the RAD9-Binding Region of the Dna Damage Checkpoint Adaptor TOPBP1


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Structure and Function of the RAD9-Binding Region of the Dna Damage Checkpoint Adaptor TOPBP1 within 5.0Å range: probe atom residue distance (Å) B Occ A:I1290 b:35.1 occ:1.00 CE1 A:HIS125 3.6 33.3 1.0 N A:CYS113 3.6 26.3 1.0 NE2 A:HIS125 3.7 31.5 1.0 CB A:CYS113 3.7 21.6 1.0 CA A:ARG137 3.8 31.1 1.0 NZ A:LYS155 4.0 27.1 1.0 CB A:ARG137 4.1 30.5 1.0 O A:CYS113 4.1 21.8 1.0 CA A:CYS113 4.1 27.1 1.0 CG A:ARG137 4.2 27.5 1.0 SG A:CYS113 4.3 34.3 1.0 N A:ARG137 4.3 32.8 1.0 CG1 A:VAL135 4.4 33.5 1.0 C A:SER112 4.5 29.5 1.0 C A:CYS113 4.5 28.8 1.0 OG A:SER112 4.5 30.1 1.0 CA A:SER112 4.6 28.9 1.0 CD A:ARG121 4.6 44.5 1.0 CG A:ARG121 4.7 37.4 1.0 NH1 A:ARG121 4.8 47.0 1.0 C A:ARG137 4.8 31.9 1.0 O A:ARG137 4.9 31.5 1.0 ND1 A:HIS125 4.9 31.8 1.0 C A:TYR136 4.9 34.6 1.0 O A:TYR136 5.0 37.5 1.0

Iodine binding site 4 out of 17 in the Structure and Function of the RAD9-Binding Region of the Dna Damage Checkpoint Adaptor TOPBP1


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Structure and Function of the RAD9-Binding Region of the Dna Damage Checkpoint Adaptor TOPBP1 within 5.0Å range: probe atom residue distance (Å) B Occ A:I1291 b:94.6 occ:1.00 O A:HOH2040 4.3 30.0 1.0 CG A:LYS154 4.3 44.5 1.0 CB A:LYS154 4.8 27.1 1.0

Iodine binding site 5 out of 17 in the Structure and Function of the RAD9-Binding Region of the Dna Damage Checkpoint Adaptor TOPBP1


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Structure and Function of the RAD9-Binding Region of the Dna Damage Checkpoint Adaptor TOPBP1 within 5.0Å range: probe atom residue distance (Å) B Occ A:I1292 b:83.9 occ:1.00 CE A:MSE192 3.6 52.7 1.0 CD A:LYS196 3.8 83.9 1.0 NZ A:LYS196 4.2 85.8 1.0 OE2 A:GLU193 4.3 95.7 1.0 CE A:LYS196 4.4 86.5 1.0 CD2 A:LEU167 4.5 36.9 1.0 CD A:GLU193 4.6 93.2 1.0 CB A:PRO165 4.6 31.7 1.0 CA A:PRO165 4.6 37.0 1.0 CG A:LYS196 4.7 77.9 1.0 CB A:MSE192 4.8 51.5 1.0 CB A:LYS196 4.9 67.0 1.0 OE1 A:GLU193 4.9 95.0 1.0 CA A:GLU193 4.9 62.2 1.0 N A:GLU193 4.9 59.6 1.0 O A:HOH2044 4.9 57.8 1.0

Iodine binding site 6 out of 17 in the Structure and Function of the RAD9-Binding Region of the Dna Damage Checkpoint Adaptor TOPBP1


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Structure and Function of the RAD9-Binding Region of the Dna Damage Checkpoint Adaptor TOPBP1 within 5.0Å range: probe atom residue distance (Å) B Occ A:I1293 b:80.6 occ:0.33 NH1 A:ARG137 3.6 28.4 1.0 CD A:ARG137 3.7 25.6 1.0 I A:IOD1298 4.0 0.9 1.0 NH1 A:ARG121 4.3 47.0 1.0 CZ A:ARG137 4.6 27.8 1.0 NE A:ARG137 4.6 26.9 1.0 CG A:ARG137 4.8 27.5 1.0 CZ A:ARG121 5.0 51.8 1.0

Iodine binding site 7 out of 17 in the Structure and Function of the RAD9-Binding Region of the Dna Damage Checkpoint Adaptor TOPBP1


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Structure and Function of the RAD9-Binding Region of the Dna Damage Checkpoint Adaptor TOPBP1 within 5.0Å range: probe atom residue distance (Å) B Occ A:I1294 b:73.3 occ:1.00 NZ A:LYS72 3.4 55.1 1.0 SE A:MSE130 4.0 67.4 1.0 CG A:PRO100 4.1 36.3 1.0 CZ A:PHE68 4.1 56.2 1.0 O A:HOH2035 4.2 75.6 1.0 CE A:LYS72 4.2 54.4 1.0 CG A:MSE130 4.2 35.7 1.0 CB A:PRO100 4.2 35.9 1.0 CE A:LYS126 4.3 70.6 1.0 CD1 A:PHE63 4.3 53.1 1.0 CD A:PRO100 4.4 37.1 1.0 CD A:LYS72 4.7 54.4 1.0 CE2 A:PHE68 4.7 58.3 1.0 CE A:MSE130 4.8 60.3 1.0 CE1 A:PHE63 4.8 49.9 1.0 O A:PRO100 4.9 42.6 1.0

Iodine binding site 8 out of 17 in the Structure and Function of the RAD9-Binding Region of the Dna Damage Checkpoint Adaptor TOPBP1


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Structure and Function of the RAD9-Binding Region of the Dna Damage Checkpoint Adaptor TOPBP1 within 5.0Å range: probe atom residue distance (Å) B Occ A:I1295 b:0.2 occ:1.00 CD2 A:PHE268 3.6 52.6 1.0 OG1 A:THR264 4.0 59.4 1.0 CA A:GLN265 4.1 71.5 1.0 N A:GLN265 4.1 62.7 1.0 O A:THR264 4.1 55.4 1.0 C A:THR264 4.1 55.4 1.0 CG A:PHE268 4.3 52.7 1.0 CB A:THR264 4.3 54.9 1.0 CB A:PHE268 4.3 55.6 1.0 CE2 A:PHE268 4.3 52.7 1.0 CG A:GLN265 4.6 95.6 1.0 CA A:THR264 4.9 52.2 1.0 CB A:GLN265 4.9 83.2 1.0

Iodine binding site 9 out of 17 in the Structure and Function of the RAD9-Binding Region of the Dna Damage Checkpoint Adaptor TOPBP1


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of Structure and Function of the RAD9-Binding Region of the Dna Damage Checkpoint Adaptor TOPBP1 within 5.0Å range: probe atom residue distance (Å) B Occ A:I1296 b:0.6 occ:1.00 NE2 A:GLN40 4.0 94.5 1.0 CG A:GLN40 4.2 82.9 1.0 CD A:GLN40 4.4 90.6 1.0 CE A:LYS12 4.5 65.0 1.0 NZ A:LYS12 5.0 69.0 1.0

Iodine binding site 10 out of 17 in the Structure and Function of the RAD9-Binding Region of the Dna Damage Checkpoint Adaptor TOPBP1


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 10 of Structure and Function of the RAD9-Binding Region of the Dna Damage Checkpoint Adaptor TOPBP1 within 5.0Å range: probe atom residue distance (Å) B Occ A:I1297 b:0.1 occ:1.00 N A:SER35 3.9 65.6 1.0 CA A:GLN34 4.0 61.6 1.0 CB A:GLN34 4.0 56.5 1.0 CG A:PRO8 4.1 54.3 1.0 OG A:SER35 4.1 80.0 1.0 O A:HOH2011 4.2 54.0 1.0 CE2 A:TYR38 4.2 48.1 1.0 C A:GLN34 4.5 65.1 1.0 CB A:SER35 4.7 74.2 1.0 O A:PHE33 4.7 63.4 1.0 CD2 A:TYR38 4.7 49.7 1.0 CB A:PRO8 4.7 54.0 1.0 CA A:SER35 4.9 70.3 1.0

M.Rappas, A.W.Oliver, L.H.Pearl. Structure and Function of the RAD9-Binding Region of the Dna-Damage Checkpoint Adaptor TOPBP1. Nucleic Acids Res. V. 39 313 2011.
ISSN: ISSN 0305-1048
PubMed: 20724438
DOI: 10.1093/NAR/GKQ743