Iodine in PDB 4rec: A Nuclease-Dna Complex Form 3

All present enzymatic activity of A Nuclease-Dna Complex Form 3:
3.1.4.1;

The structure of A Nuclease-Dna Complex Form 3, PDB code: 4rec was solved by Q.Zhao, X.Xue, S.Longerich, P.Sung, Y.Xiong, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	79.60 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	71.910, 109.600, 115.860, 90.00, 90.00, 90.00
R / Rfree (%)	21.5 / 25.4

The binding sites of Iodine atom in the A Nuclease-Dna Complex Form 3 (pdb code 4rec). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 3 binding sites of Iodine where determined in the A Nuclease-Dna Complex Form 3, PDB code: 4rec:
Jump to Iodine binding site number: 1; 2; 3;

Iodine binding site 1 out of 3 in the A Nuclease-Dna Complex Form 3


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of A Nuclease-Dna Complex Form 3 within 5.0Å range: probe atom residue distance (Å) B Occ A:I1101 b:66.1 occ:1.00 O A:HOH1401 2.9 50.6 1.0 NH1 A:ARG982 3.3 42.1 1.0 CD A:ARG982 3.8 56.0 1.0 CG A:ARG982 3.9 58.0 1.0 CA A:ASN980 3.9 51.8 1.0 C A:ASN980 4.1 54.4 1.0 OD1 A:ASN980 4.3 68.4 1.0 CZ A:ARG982 4.3 50.9 1.0 O A:ASN980 4.3 64.2 1.0 N A:ASP981 4.5 58.3 1.0 NE A:ARG982 4.5 48.7 1.0 CB A:ARG982 4.7 57.0 1.0 N A:ASN980 4.7 44.3 1.0 CB A:ASN980 4.8 62.3 1.0 N A:ARG982 4.9 44.4 1.0 CG A:ASN980 4.9 66.9 1.0 C A:ASP981 4.9 53.8 1.0

Iodine binding site 2 out of 3 in the A Nuclease-Dna Complex Form 3


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of A Nuclease-Dna Complex Form 3 within 5.0Å range: probe atom residue distance (Å) B Occ A:I1102 b:47.0 occ:1.00 O A:HOH1216 3.2 0.6 1.0 O A:HOH1263 3.4 81.6 1.0 CB A:ARG982 3.8 57.0 1.0 CG A:LEU983 3.8 45.6 1.0 N A:LEU983 3.8 38.2 1.0 CD1 A:LEU983 4.0 47.8 1.0 CE1 A:HIS1005 4.1 43.2 1.0 CE1 A:HIS779 4.2 53.6 1.0 CB A:LEU983 4.2 41.8 1.0 CA A:ARG982 4.3 54.2 1.0 NE2 A:HIS1005 4.6 46.0 1.0 C A:ARG982 4.6 50.3 1.0 ND1 A:HIS779 4.7 54.5 1.0 CA A:LEU983 4.7 45.4 1.0

Iodine binding site 3 out of 3 in the A Nuclease-Dna Complex Form 3


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of A Nuclease-Dna Complex Form 3 within 5.0Å range: probe atom residue distance (Å) B Occ A:I1103 b:90.4 occ:1.00 N A:GLY741 3.1 51.6 1.0 CZ3 A:TRP990 3.4 71.0 1.0 CH2 A:TRP990 3.7 80.2 1.0 CA A:GLY741 3.7 53.5 1.0 N A:THR740 3.9 63.9 1.0 CG A:LYS986 4.0 65.7 1.0 C A:THR740 4.2 59.3 1.0 CB A:HIS953 4.2 0.5 1.0 CB A:ARG739 4.2 72.4 1.0 CA A:THR740 4.4 66.5 1.0 C A:ARG739 4.5 73.5 1.0 CE3 A:TRP990 4.5 72.7 1.0 O A:HIS953 4.6 0.6 1.0 CB A:THR740 4.6 61.1 1.0 CE A:LYS986 4.6 70.7 1.0 CG A:HIS953 4.7 0.8 1.0 CD A:LYS986 4.9 68.7 1.0 CA A:LYS986 5.0 56.6 1.0 CG2 A:ILE989 5.0 48.8 1.0

Q.Zhao, X.Xue, S.Longerich, P.Sung, Y.Xiong. Structural Insights Into 5' Flap Dna Unwinding and Incision By the Human FAN1 Dimer. Nat Commun 2014.
ISSN: ESSN 2041-1723
DOI: 10.1038/NCOMMS6726