Iodine in PDB 2ckk: High Resolution Crystal Structure of the Human KIN17 C-Terminal Domain Containing A Kow Motif

The structure of High Resolution Crystal Structure of the Human KIN17 C-Terminal Domain Containing A Kow Motif, PDB code: 2ckk was solved by A.Le Maire, M.Schiltz, G.Pinon-Lataillade, E.Stura, J.Couprie, M.Gondry, J.Angulo-Mora, S.Zinn-Justin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.62 / 1.45
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	45.752, 46.309, 60.798, 90.00, 90.00, 90.00
R / Rfree (%)	13.7 / 17.5

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Iodine atom in the High Resolution Crystal Structure of the Human KIN17 C-Terminal Domain Containing A Kow Motif (pdb code 2ckk). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 12 binding sites of Iodine where determined in the High Resolution Crystal Structure of the Human KIN17 C-Terminal Domain Containing A Kow Motif, PDB code: 2ckk:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 12 in the High Resolution Crystal Structure of the Human KIN17 C-Terminal Domain Containing A Kow Motif


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of High Resolution Crystal Structure of the Human KIN17 C-Terminal Domain Containing A Kow Motif within 5.0Å range: probe atom residue distance (Å) B Occ A:I267 b:16.9 occ:1.00 O A:HOH2032 3.4 36.4 1.0 OG A:SER55 3.5 16.3 1.0 O A:HOH2072 3.7 16.4 1.0 CB A:SER55 3.8 16.0 1.0 N A:SER55 3.8 17.3 1.0 CB A:MET52 3.9 15.1 1.0 CB A:ASP54 4.0 18.4 1.0 CD1 A:TYR32 4.1 13.7 1.0 CE A:MET52 4.2 14.8 1.0 CG A:LYS35 4.2 17.4 1.0 CE A:LYS31 4.2 20.8 1.0 CB A:LYS35 4.3 15.0 1.0 CG A:MET52 4.3 15.1 1.0 O A:LYS31 4.3 15.5 1.0 CE A:LYS35 4.3 24.4 1.0 CG A:LYS31 4.4 17.4 1.0 CE1 A:TYR32 4.5 14.1 1.0 CA A:SER55 4.5 17.0 1.0 O A:HOH2059 4.6 25.6 1.0 O A:HOH2111 4.7 56.2 1.0 N A:ASP54 4.7 16.7 1.0 CA A:ASP54 4.7 18.1 1.0 C A:ASP54 4.7 17.7 1.0 CD A:LYS35 4.8 21.4 1.0 CD A:LYS31 4.9 18.8 1.0 CA A:TYR32 4.9 13.8 1.0 C A:LYS31 5.0 14.6 1.0

Iodine binding site 2 out of 12 in the High Resolution Crystal Structure of the Human KIN17 C-Terminal Domain Containing A Kow Motif


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of High Resolution Crystal Structure of the Human KIN17 C-Terminal Domain Containing A Kow Motif within 5.0Å range: probe atom residue distance (Å) B Occ A:I268 b:18.4 occ:1.00 O A:HOH2127 3.5 17.0 1.0 O A:HOH2199 3.6 23.3 1.0 NE1 A:TRP14 3.6 14.9 1.0 NE2 A:GLN63 4.0 15.8 1.0 CA A:THR64 4.2 13.4 1.0 CG2 A:THR64 4.2 14.8 1.0 O A:GLN63 4.2 13.4 1.0 CG A:GLN63 4.2 13.3 1.0 O A:HOH2015 4.3 37.0 1.0 C A:GLN63 4.4 12.9 1.0 CD A:GLN63 4.4 15.5 1.0 CD1 A:TRP14 4.4 15.1 1.0 N A:THR64 4.4 12.9 1.0 O A:HOH2197 4.6 21.3 1.0 CE2 A:TRP14 4.6 13.6 1.0 CB A:THR64 4.7 13.4 1.0 OE1 A:GLU121 4.8 14.6 0.5 CB A:GLN63 4.8 12.8 1.0 CZ2 A:TRP14 5.0 13.3 1.0

Iodine binding site 3 out of 12 in the High Resolution Crystal Structure of the Human KIN17 C-Terminal Domain Containing A Kow Motif


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of High Resolution Crystal Structure of the Human KIN17 C-Terminal Domain Containing A Kow Motif within 5.0Å range: probe atom residue distance (Å) B Occ A:I269 b:19.1 occ:1.00 O A:HOH2080 3.5 19.8 1.0 N A:VAL42 3.6 14.0 1.0 CG A:PRO17 3.9 14.9 1.0 O A:VAL42 4.0 16.3 1.0 O A:HOH2090 4.0 27.8 1.0 CD A:PRO17 4.1 14.7 1.0 CB A:PRO17 4.2 14.6 1.0 CA A:GLU41 4.2 15.0 1.0 CG A:GLU41 4.2 19.7 1.0 CB A:VAL42 4.3 15.7 1.0 CA A:VAL42 4.4 15.0 1.0 O A:HOH2084 4.4 26.7 1.0 C A:GLU41 4.4 14.1 1.0 O A:HOH2045 4.5 50.7 1.0 O A:HOH2026 4.5 38.2 1.0 CG2 A:VAL42 4.6 16.6 1.0 C A:VAL42 4.6 16.6 1.0 CB A:GLU41 4.8 16.3 1.0

Iodine binding site 4 out of 12 in the High Resolution Crystal Structure of the Human KIN17 C-Terminal Domain Containing A Kow Motif


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of High Resolution Crystal Structure of the Human KIN17 C-Terminal Domain Containing A Kow Motif within 5.0Å range: probe atom residue distance (Å) B Occ A:I270 b:27.1 occ:1.00 O A:HOH2073 3.4 33.7 1.0 NZ A:LYS125 3.4 24.9 1.0 CD1 A:ILE53 3.7 21.7 1.0 NZ A:LYS36 3.9 28.3 1.0 CD1 A:ILE20 4.0 17.3 0.5 CE A:LYS36 4.2 24.7 1.0 CE A:LYS125 4.3 21.5 1.0 CD A:LYS36 4.4 19.1 1.0 CG2 A:ILE20 4.5 15.3 1.0 CG1 A:ILE20 4.7 16.5 1.0 CD A:LYS125 4.7 17.4 1.0 O A:HOH2206 4.7 36.1 1.0 O A:HOH2205 5.0 43.1 1.0 I A:IOD276 5.0 23.7 0.3

Iodine binding site 5 out of 12 in the High Resolution Crystal Structure of the Human KIN17 C-Terminal Domain Containing A Kow Motif


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of High Resolution Crystal Structure of the Human KIN17 C-Terminal Domain Containing A Kow Motif within 5.0Å range: probe atom residue distance (Å) B Occ A:I271 b:20.6 occ:0.30 OXT A:ACT378 3.5 23.6 1.0 CD1 A:ILE38 3.5 25.8 1.0 NZ A:LYS40 3.6 16.4 1.0 CG1 A:ILE38 3.9 20.5 1.0 CB A:ILE38 4.2 14.9 1.0 CD A:LYS51 4.4 16.5 1.0 CE A:LYS40 4.4 18.2 1.0 CD A:LYS40 4.5 17.8 1.0 CG2 A:ILE38 4.5 16.5 1.0 C A:ACT378 4.7 25.1 1.0

Iodine binding site 6 out of 12 in the High Resolution Crystal Structure of the Human KIN17 C-Terminal Domain Containing A Kow Motif


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of High Resolution Crystal Structure of the Human KIN17 C-Terminal Domain Containing A Kow Motif within 5.0Å range: probe atom residue distance (Å) B Occ A:I272 b:22.2 occ:0.30 I A:IOD276 2.8 23.7 0.3 NZ A:LYS125 3.3 24.9 1.0 N A:ALA72 3.5 16.1 1.0 CB A:PRO71 3.9 16.7 1.0 O A:HOH2205 3.9 43.1 1.0 CA A:PRO71 3.9 15.6 1.0 CE A:LYS125 4.0 21.5 1.0 CB A:ALA72 4.2 17.8 1.0 C A:PRO71 4.3 15.9 1.0 CD A:LYS125 4.4 17.4 1.0 CA A:ALA72 4.5 16.9 1.0 CG A:LYS75 4.5 21.7 1.0

Iodine binding site 7 out of 12 in the High Resolution Crystal Structure of the Human KIN17 C-Terminal Domain Containing A Kow Motif


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of High Resolution Crystal Structure of the Human KIN17 C-Terminal Domain Containing A Kow Motif within 5.0Å range: probe atom residue distance (Å) B Occ A:I273 b:21.5 occ:0.30 O A:HOH2054 3.7 50.8 1.0 N A:GLU30 3.8 17.0 1.0 N A:LYS31 3.8 15.0 1.0 CA A:GLY29 3.8 17.2 1.0 CB A:LYS31 4.0 15.8 1.0 C A:GLY29 4.0 16.2 1.0 O A:HOH2035 4.2 27.4 1.0 OE1 A:GLU30 4.3 23.8 1.0 O A:HOH2057 4.4 47.2 1.0 O A:HOH2063 4.5 44.4 1.0 CA A:LYS31 4.5 15.7 1.0 CA A:GLU30 4.6 16.2 1.0 C A:GLU30 4.7 16.1 1.0 CB A:GLU30 4.9 16.9 1.0 O A:GLY29 4.9 16.7 1.0

Iodine binding site 8 out of 12 in the High Resolution Crystal Structure of the Human KIN17 C-Terminal Domain Containing A Kow Motif


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of High Resolution Crystal Structure of the Human KIN17 C-Terminal Domain Containing A Kow Motif within 5.0Å range: probe atom residue distance (Å) B Occ A:I274 b:22.7 occ:0.30 O A:HOH2179 2.6 19.6 1.0 OG A:SER100 3.4 18.4 1.0 N A:GLY117 3.4 18.4 1.0 OG1 A:THR102 3.5 16.2 1.0 C A:ALA101 3.7 15.0 1.0 O A:ALA101 3.8 16.8 1.0 CB A:ASN95 3.8 20.8 1.0 CA A:GLY117 3.8 17.7 1.0 N A:ALA101 4.0 15.9 1.0 N A:THR102 4.0 15.1 1.0 CA A:ALA101 4.1 15.2 1.0 C A:SER100 4.1 16.3 1.0 O A:SER100 4.2 17.1 1.0 O A:HOH2177 4.2 34.6 1.0 CB A:SER100 4.3 17.1 1.0 N A:ASN95 4.4 18.9 1.0 C A:GLU116 4.5 18.4 1.0 CB A:THR102 4.6 15.3 1.0 CA A:THR102 4.7 15.0 1.0 CA A:GLU116 4.7 19.1 1.0 CA A:ASN95 4.8 20.1 1.0 CB A:GLU116 4.8 20.4 1.0 ND2 A:ASN95 4.8 30.1 1.0 CA A:SER100 4.9 16.8 1.0 CG A:ASN95 4.9 24.8 1.0 O A:HOH2192 4.9 40.5 1.0 C A:GLY117 4.9 17.4 1.0 OG1 A:THR98 5.0 20.3 1.0 C A:ILE94 5.0 18.4 1.0

Iodine binding site 9 out of 12 in the High Resolution Crystal Structure of the Human KIN17 C-Terminal Domain Containing A Kow Motif


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of High Resolution Crystal Structure of the Human KIN17 C-Terminal Domain Containing A Kow Motif within 5.0Å range: probe atom residue distance (Å) B Occ A:I275 b:23.3 occ:0.30 O A:HOH2125 3.1 19.8 1.0 CE1 A:HIS65 4.0 16.9 1.0 CD2 A:LEU61 4.0 22.1 1.0 ND1 A:HIS65 4.0 17.9 1.0 CB A:LYS27 4.1 16.6 1.0 O A:HOH2053 4.1 35.4 1.0 CD2 A:LEU28 4.2 21.8 1.0 CG A:LEU28 4.4 19.4 1.0 CD A:LYS27 4.4 24.1 1.0 NZ A:LYS27 4.4 33.5 1.0 CE A:LYS27 4.4 28.2 1.0 O A:HOH2123 4.5 36.4 1.0 CG A:LYS27 4.9 19.6 1.0 CD1 A:LEU28 5.0 20.8 1.0

Iodine binding site 10 out of 12 in the High Resolution Crystal Structure of the Human KIN17 C-Terminal Domain Containing A Kow Motif


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 10 of High Resolution Crystal Structure of the Human KIN17 C-Terminal Domain Containing A Kow Motif within 5.0Å range: probe atom residue distance (Å) B Occ A:I276 b:23.7 occ:0.30 I A:IOD272 2.8 22.2 0.3 NZ A:LYS125 3.6 24.9 1.0 NZ A:LYS36 3.9 28.3 1.0 CG1 A:VAL69 4.1 14.2 1.0 CD A:LYS125 4.1 17.4 1.0 CA A:PRO71 4.2 15.6 1.0 CE A:LYS125 4.4 21.5 1.0 O A:ILE70 4.7 15.9 1.0 CB A:PRO71 4.7 16.7 1.0 N A:ALA72 4.9 16.1 1.0 I A:IOD270 5.0 27.1 1.0

A.Le Maire, M.Schiltz, E.A.Stura, G.Pinon-Lataillade, J.Couprie, M.Moutiez, M.Gondry, J.F.Angulo, S.Zinn-Justin. A Tandem of SH3-Like Domains Participates in Rna Binding in KIN17, A Human Protein Activated in Response to Genotoxics. J.Mol.Biol. V. 364 764 2006.
ISSN: ISSN 0022-2836
PubMed: 17045609
DOI: 10.1016/J.JMB.2006.09.033