Iodine in PDB 3e79: Structure Determination of the Cancer-Associated Mycoplasma Hyorhinis Protein Mh-P37

The structure of Structure Determination of the Cancer-Associated Mycoplasma Hyorhinis Protein Mh-P37, PDB code: 3e79 was solved by K.H.Sippel, A.H.Robbins, R.Reutzel, J.Domsic, R.Mckenna, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	50.107, 69.149, 60.297, 90.00, 106.81, 90.00
R / Rfree (%)	18.9 / 24.4

The structure of Structure Determination of the Cancer-Associated Mycoplasma Hyorhinis Protein Mh-P37 also contains other interesting chemical elements:

Chlorine	(Cl)	1 atom
Calcium	(Ca)	1 atom

The binding sites of Iodine atom in the Structure Determination of the Cancer-Associated Mycoplasma Hyorhinis Protein Mh-P37 (pdb code 3e79). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 6 binding sites of Iodine where determined in the Structure Determination of the Cancer-Associated Mycoplasma Hyorhinis Protein Mh-P37, PDB code: 3e79:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6;

Iodine binding site 1 out of 6 in the Structure Determination of the Cancer-Associated Mycoplasma Hyorhinis Protein Mh-P37


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Structure Determination of the Cancer-Associated Mycoplasma Hyorhinis Protein Mh-P37 within 5.0Å range: probe atom residue distance (Å) B Occ A:I500 b:39.2 occ:1.00 I3 A:I3C500 0.0 39.2 1.0 C6 A:I3C500 2.1 23.6 1.0 C5 A:I3C500 3.0 28.3 1.0 C1 A:I3C500 3.0 30.5 1.0 N13 A:I3C500 3.1 22.4 1.0 C7 A:I3C500 3.2 34.0 1.0 O8 A:I3C500 3.4 42.2 1.0 OD1 A:ASN236 3.6 28.2 1.0 O A:GLY165 3.6 27.2 1.0 O9 A:I3C500 3.7 31.9 1.0 CD1 A:TRP235 4.2 18.0 1.0 NE1 A:TRP235 4.3 21.4 1.0 N A:ASP167 4.3 29.0 1.0 C A:THR166 4.3 25.8 1.0 C4 A:I3C500 4.3 22.7 1.0 C2 A:I3C500 4.3 21.5 1.0 CG A:ASN236 4.4 24.4 1.0 ND2 A:ASN236 4.4 25.0 1.0 CA A:THR166 4.5 22.0 1.0 CG1 A:VAL172 4.6 24.2 1.0 CG2 A:VAL172 4.7 12.7 1.0 CA A:ASP167 4.7 31.8 1.0 C A:GLY165 4.7 22.8 1.0 O A:THR166 4.8 19.3 1.0 C3 A:I3C500 4.9 26.1 1.0

Iodine binding site 2 out of 6 in the Structure Determination of the Cancer-Associated Mycoplasma Hyorhinis Protein Mh-P37


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Structure Determination of the Cancer-Associated Mycoplasma Hyorhinis Protein Mh-P37 within 5.0Å range: probe atom residue distance (Å) B Occ A:I500 b:26.7 occ:1.00 I2 A:I3C500 0.0 26.7 1.0 C4 A:I3C500 2.1 22.7 1.0 C5 A:I3C500 3.0 28.3 1.0 C3 A:I3C500 3.0 26.1 1.0 O A:ALA334 3.0 20.6 1.0 N13 A:I3C500 3.2 22.4 1.0 C10 A:I3C500 3.2 27.2 1.0 O12 A:I3C500 3.6 26.8 1.0 O11 A:I3C500 3.7 33.0 1.0 ND2 A:ASN179 3.7 18.7 1.0 O A:LEU335 3.9 14.4 1.0 CA A:LEU335 4.1 13.6 1.0 C A:ALA334 4.2 12.5 1.0 O A:HOH1108 4.2 25.3 1.0 C6 A:I3C500 4.3 23.6 1.0 C2 A:I3C500 4.3 21.5 1.0 C A:LEU335 4.4 17.0 1.0 CG A:LYS176 4.4 20.1 1.0 N A:LEU335 4.6 9.9 1.0 CE A:LYS176 4.8 27.5 1.0 NZ A:LYS232 4.8 35.9 1.0 C1 A:I3C500 4.8 30.5 1.0 CB A:ALA175 4.9 8.2 1.0 CD1 A:LEU335 4.9 15.5 1.0 CD A:LYS232 5.0 25.5 1.0

Iodine binding site 3 out of 6 in the Structure Determination of the Cancer-Associated Mycoplasma Hyorhinis Protein Mh-P37


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Structure Determination of the Cancer-Associated Mycoplasma Hyorhinis Protein Mh-P37 within 5.0Å range: probe atom residue distance (Å) B Occ A:I500 b:45.1 occ:1.00 I1 A:I3C500 0.0 45.1 1.0 C2 A:I3C500 2.1 21.5 1.0 C3 A:I3C500 3.0 26.1 1.0 C1 A:I3C500 3.1 30.5 1.0 C10 A:I3C500 3.3 27.2 1.0 C7 A:I3C500 3.4 34.0 1.0 O11 A:I3C500 3.6 33.0 1.0 O9 A:I3C500 3.7 31.9 1.0 O12 A:I3C500 3.8 26.8 1.0 O8 A:I3C500 3.9 42.2 1.0 C4 A:I3C500 4.3 22.7 1.0 C6 A:I3C500 4.4 23.6 1.0 NZ A:LYS176 4.6 37.9 1.0 CE A:LYS232 4.7 33.7 1.0 CE A:LYS176 4.8 27.5 1.0 NZ A:LYS232 4.8 35.9 1.0 C5 A:I3C500 4.9 28.3 1.0 CD A:LYS232 5.0 25.5 1.0

Iodine binding site 4 out of 6 in the Structure Determination of the Cancer-Associated Mycoplasma Hyorhinis Protein Mh-P37


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Structure Determination of the Cancer-Associated Mycoplasma Hyorhinis Protein Mh-P37 within 5.0Å range: probe atom residue distance (Å) B Occ A:I501 b:38.0 occ:0.50 I3 A:I3C501 0.0 38.0 0.5 C6 A:I3C501 2.1 32.1 0.5 C1 A:I3C501 3.1 34.4 0.5 C5 A:I3C501 3.1 31.1 0.5 O8 A:I3C501 3.2 65.9 0.5 C7 A:I3C501 3.2 45.8 0.5 N13 A:I3C501 3.2 29.7 0.5 O9 A:I3C501 4.0 64.4 0.5 C2 A:I3C501 4.4 34.8 0.5 C4 A:I3C501 4.4 30.1 0.5 C3 A:I3C501 4.9 29.2 0.5

Iodine binding site 5 out of 6 in the Structure Determination of the Cancer-Associated Mycoplasma Hyorhinis Protein Mh-P37


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Structure Determination of the Cancer-Associated Mycoplasma Hyorhinis Protein Mh-P37 within 5.0Å range: probe atom residue distance (Å) B Occ A:I501 b:34.8 occ:0.50 I2 A:I3C501 0.0 34.8 0.5 C4 A:I3C501 2.1 30.1 0.5 C3 A:I3C501 3.0 29.2 0.5 C5 A:I3C501 3.1 31.1 0.5 O A:LYS273 3.2 40.0 1.0 N13 A:I3C501 3.2 29.7 0.5 C10 A:I3C501 3.2 16.1 0.5 O11 A:I3C501 3.4 20.0 0.5 CD A:LYS273 3.6 46.4 1.0 CB A:LYS273 3.8 39.4 1.0 O12 A:I3C501 3.8 26.8 0.5 CA A:LYS273 4.0 30.8 1.0 C A:LYS273 4.0 33.0 1.0 CG A:LYS273 4.3 40.2 1.0 C2 A:I3C501 4.4 34.8 0.5 C6 A:I3C501 4.4 32.1 0.5 CD1 A:TRP240 4.5 21.4 1.0 OD1 A:ASN241 4.6 62.5 1.0 CB A:TRP240 4.8 18.0 1.0 CE A:LYS273 4.8 52.2 1.0 C1 A:I3C501 4.9 34.4 0.5

Iodine binding site 6 out of 6 in the Structure Determination of the Cancer-Associated Mycoplasma Hyorhinis Protein Mh-P37


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Structure Determination of the Cancer-Associated Mycoplasma Hyorhinis Protein Mh-P37 within 5.0Å range: probe atom residue distance (Å) B Occ A:I501 b:39.3 occ:0.50 I1 A:I3C501 0.0 39.3 0.5 C2 A:I3C501 2.1 34.8 0.5 C3 A:I3C501 3.1 29.2 0.5 C1 A:I3C501 3.1 34.4 0.5 C10 A:I3C501 3.3 16.1 0.5 C7 A:I3C501 3.3 45.8 0.5 O9 A:I3C501 3.3 64.4 0.5 O12 A:I3C501 3.5 26.8 0.5 O11 A:I3C501 3.9 20.0 0.5 O8 A:I3C501 4.1 65.9 0.5 OD1 A:ASP239 4.1 52.0 1.0 C4 A:I3C501 4.4 30.1 0.5 C6 A:I3C501 4.4 32.1 0.5 NZ A:LYS273 4.5 43.2 1.0 CG A:ASP239 4.5 48.9 1.0 CA A:ASP239 4.8 20.5 1.0 C5 A:I3C501 4.9 31.1 0.5 CB A:ASP239 4.9 25.5 1.0

K.H.Sippel, A.H.Robbins, R.Reutzel, J.Domsic, S.K.Boehlein, L.Govindasamy, M.Agbandje-Mckenna, C.J.Rosser, R.Mckenna. Structure Determination of the Cancer-Associated Mycoplasma Hyorhinis Protein Mh-P37. Acta Crystallogr.,Sect.D V. 64 1172 2008.
ISSN: ISSN 0907-4449
PubMed: 19020356
DOI: 10.1107/S0907444908030175