Iodine in PDB 3w0f: Crystal Structure of Mouse Endonuclease VIII-Like 3 (MNEIL3)

The structure of Crystal Structure of Mouse Endonuclease VIII-Like 3 (MNEIL3), PDB code: 3w0f was solved by M.Liu, K.Imamura, A.M.Averill, S.S.Wallace, S.Doublie, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.76 / 2.00
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	115.580, 43.823, 77.645, 90.00, 128.96, 90.00
R / Rfree (%)	19.7 / 23.5

The structure of Crystal Structure of Mouse Endonuclease VIII-Like 3 (MNEIL3) also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Iodine atom in the Crystal Structure of Mouse Endonuclease VIII-Like 3 (MNEIL3) (pdb code 3w0f). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 4 binding sites of Iodine where determined in the Crystal Structure of Mouse Endonuclease VIII-Like 3 (MNEIL3), PDB code: 3w0f:
Jump to Iodine binding site number: 1; 2; 3; 4;

Iodine binding site 1 out of 4 in the Crystal Structure of Mouse Endonuclease VIII-Like 3 (MNEIL3)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of Mouse Endonuclease VIII-Like 3 (MNEIL3) within 5.0Å range: probe atom residue distance (Å) B Occ A:I302 b:36.8 occ:0.50 N A:VAL77 3.4 17.2 1.0 CA A:GLY76 3.4 17.5 1.0 CG A:ARG15 3.8 25.7 1.0 O A:HOH414 3.9 21.4 1.0 C A:GLY76 3.9 17.0 1.0 NE A:ARG15 4.0 31.3 1.0 O A:VAL77 4.0 15.8 1.0 CG1 A:VAL77 4.0 20.6 1.0 CG A:PRO20 4.2 21.1 1.0 CB A:ARG15 4.4 21.6 1.0 CD A:ARG15 4.4 27.2 1.0 CA A:VAL77 4.5 16.6 1.0 CA A:ARG15 4.6 20.1 1.0 N A:GLY76 4.6 16.4 1.0 OH A:TYR74 4.7 19.8 1.0 C A:VAL77 4.7 19.4 1.0 CB A:VAL77 4.9 18.8 1.0

Iodine binding site 2 out of 4 in the Crystal Structure of Mouse Endonuclease VIII-Like 3 (MNEIL3)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Crystal Structure of Mouse Endonuclease VIII-Like 3 (MNEIL3) within 5.0Å range: probe atom residue distance (Å) B Occ A:I303 b:49.0 occ:0.55 OG A:SER244 3.5 33.7 1.0 O A:HOH557 3.7 43.2 1.0 N A:LYS245 4.1 30.6 1.0 C A:SER244 4.1 30.6 1.0 O A:SER244 4.1 32.5 1.0 CA A:LYS245 4.1 31.8 1.0 CG A:LYS245 4.2 36.0 1.0 CB A:SER244 4.2 32.3 1.0 CB A:LYS245 4.7 32.0 1.0 NH1 A:ARG252 4.8 37.3 1.0 CA A:SER244 4.8 30.1 1.0

Iodine binding site 3 out of 4 in the Crystal Structure of Mouse Endonuclease VIII-Like 3 (MNEIL3)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Crystal Structure of Mouse Endonuclease VIII-Like 3 (MNEIL3) within 5.0Å range: probe atom residue distance (Å) B Occ A:I304 b:56.6 occ:0.45 CA A:VAL2 3.7 28.4 1.0 CA A:GLY6 3.8 22.6 1.0 N A:GLU3 3.9 25.6 1.0 CZ A:PHE233 4.1 21.9 1.0 CE1 A:PHE233 4.1 22.6 1.0 N A:GLY6 4.1 23.8 1.0 SG A:CYS237 4.1 31.5 1.0 CG1 A:VAL2 4.1 28.6 1.0 C A:VAL2 4.3 27.9 1.0 CB A:VAL2 4.4 29.2 1.0 O A:HOH549 4.4 50.7 1.0 CG2 A:VAL2 4.6 29.0 1.0 N A:VAL2 4.6 30.7 1.0 O A:HOH444 4.7 42.5 1.0 O A:GLU3 4.8 24.6 1.0

Iodine binding site 4 out of 4 in the Crystal Structure of Mouse Endonuclease VIII-Like 3 (MNEIL3)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Crystal Structure of Mouse Endonuclease VIII-Like 3 (MNEIL3) within 5.0Å range: probe atom residue distance (Å) B Occ A:I305 b:49.9 occ:0.40 O A:HOH483 3.2 22.0 0.5 O A:HOH535 3.3 25.7 0.5 NH1 A:ARG17 3.7 34.4 1.0 N A:ILE105 3.7 23.5 1.0 CG1 A:ILE105 4.0 25.5 1.0 CB A:ILE105 4.1 25.0 1.0 CD1 A:ILE105 4.2 27.1 1.0 CA A:LEU104 4.3 24.6 1.0 O A:ILE103 4.3 24.5 1.0 C A:LEU104 4.4 23.4 1.0 CD A:LYS13 4.5 28.2 1.0 CG1 A:ILE103 4.5 22.7 1.0 CD1 A:ILE103 4.5 24.6 1.0 CA A:ILE105 4.5 23.8 1.0 C A:ILE103 4.8 23.3 1.0 N A:LEU104 4.8 22.8 1.0 CZ A:ARG17 4.9 34.2 1.0 O A:ILE105 5.0 25.1 1.0

M.Liu, K.Imamura, A.M.Averill, S.S.Wallace, S.Doublie. Structural Characterization of A Mouse Ortholog of Human NEIL3 with A Marked Preference For Single-Stranded Dna Structure V. 21 247 2013.
ISSN: ISSN 0969-2126
PubMed: 23313161
DOI: 10.1016/J.STR.2012.12.008