Iodine in PDB 4tmd: X-Ray Structure of Putative Uncharacterized Protein (RV0999 Ortholog) From Mycobacterium Smegmatis

The structure of X-Ray Structure of Putative Uncharacterized Protein (RV0999 Ortholog) From Mycobacterium Smegmatis, PDB code: 4tmd was solved by P.S.Horanyi, D.M.Dranow, J.Abendroth, D.Lorimer, T.Edwards, Seattlestructural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.91 / 2.00
Space group	P 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	32.980, 37.830, 151.630, 90.00, 90.00, 90.00
R / Rfree (%)	18.8 / 21.6

The binding sites of Iodine atom in the X-Ray Structure of Putative Uncharacterized Protein (RV0999 Ortholog) From Mycobacterium Smegmatis (pdb code 4tmd). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 6 binding sites of Iodine where determined in the X-Ray Structure of Putative Uncharacterized Protein (RV0999 Ortholog) From Mycobacterium Smegmatis, PDB code: 4tmd:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6;

Iodine binding site 1 out of 6 in the X-Ray Structure of Putative Uncharacterized Protein (RV0999 Ortholog) From Mycobacterium Smegmatis


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of X-Ray Structure of Putative Uncharacterized Protein (RV0999 Ortholog) From Mycobacterium Smegmatis within 5.0Å range: probe atom residue distance (Å) B Occ A:I301 b:57.1 occ:0.45 O A:HOH462 3.4 36.7 1.0 CD A:GLU135 3.6 58.1 1.0 NE A:ARG199 3.6 29.9 1.0 CG A:GLU135 3.6 45.4 1.0 O A:HOH440 3.7 28.5 1.0 CD A:ARG199 3.8 23.7 1.0 OE1 A:GLU135 3.8 45.5 1.0 CA A:PRO137 3.8 20.6 1.0 OE2 A:GLU135 4.0 72.0 1.0 N A:PRO137 4.1 18.3 1.0 C A:SER136 4.1 18.1 1.0 O A:SER136 4.2 16.8 1.0 CB A:PRO137 4.2 18.0 1.0 CZ A:ARG199 4.5 35.1 1.0 CD A:PRO137 4.7 21.6 1.0 CA A:SER136 4.8 16.3 1.0 NH2 A:ARG199 4.9 34.2 1.0 N A:SER136 5.0 18.3 1.0 CB A:GLU135 5.0 30.6 1.0 CG A:ARG199 5.0 13.5 1.0

Iodine binding site 2 out of 6 in the X-Ray Structure of Putative Uncharacterized Protein (RV0999 Ortholog) From Mycobacterium Smegmatis


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of X-Ray Structure of Putative Uncharacterized Protein (RV0999 Ortholog) From Mycobacterium Smegmatis within 5.0Å range: probe atom residue distance (Å) B Occ A:I302 b:0.6 occ:1.00 N A:GLY114 3.6 35.4 1.0 SG A:CYS117 3.6 42.2 1.0 OE1 A:GLU116 3.7 59.4 0.8 CA A:GLY114 3.9 34.6 1.0 CB A:GLU116 4.0 44.4 1.0 CB A:CYS117 4.1 31.1 1.0 CE2 A:PHE71 4.2 37.9 1.0 CD A:GLU116 4.3 64.4 0.6 N A:CYS117 4.3 39.2 1.0 C A:GLY114 4.4 43.5 1.0 O A:GLY114 4.5 34.2 1.0 CG A:GLU116 4.6 53.6 1.0 C A:PRO113 4.7 42.9 1.0 N A:GLU116 4.7 31.6 1.0 CZ A:PHE71 4.8 35.4 1.0 CA A:GLU116 4.8 40.3 1.0 C A:GLU116 4.8 39.9 1.0 CA A:CYS117 4.9 24.2 1.0 CA A:PRO113 5.0 30.9 1.0 CD2 A:PHE71 5.0 35.1 1.0

Iodine binding site 3 out of 6 in the X-Ray Structure of Putative Uncharacterized Protein (RV0999 Ortholog) From Mycobacterium Smegmatis


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of X-Ray Structure of Putative Uncharacterized Protein (RV0999 Ortholog) From Mycobacterium Smegmatis within 5.0Å range: probe atom residue distance (Å) B Occ A:I303 b:0.3 occ:1.00 CD A:LYS62 4.7 57.0 1.0

Iodine binding site 4 out of 6 in the X-Ray Structure of Putative Uncharacterized Protein (RV0999 Ortholog) From Mycobacterium Smegmatis


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of X-Ray Structure of Putative Uncharacterized Protein (RV0999 Ortholog) From Mycobacterium Smegmatis within 5.0Å range: probe atom residue distance (Å) B Occ A:I304 b:67.2 occ:0.29 CG A:PRO35 4.2 34.0 1.0 CB A:PRO35 4.3 32.5 1.0 C A:PRO35 4.3 20.6 1.0 N A:GLU36 4.4 19.7 1.0 O A:PRO35 4.4 26.1 1.0 CA A:GLU36 4.6 25.7 1.0 CB A:GLU36 4.8 27.2 1.0 CA A:PRO35 5.0 29.5 1.0

Iodine binding site 5 out of 6 in the X-Ray Structure of Putative Uncharacterized Protein (RV0999 Ortholog) From Mycobacterium Smegmatis


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of X-Ray Structure of Putative Uncharacterized Protein (RV0999 Ortholog) From Mycobacterium Smegmatis within 5.0Å range: probe atom residue distance (Å) B Occ A:I305 b:48.8 occ:0.25 N A:GLU135 3.4 22.2 1.0 O A:HOH479 3.5 22.9 1.0 CB A:GLU135 3.9 30.6 1.0 CB A:VAL134 4.0 19.5 1.0 CA A:VAL134 4.0 17.5 1.0 C A:VAL134 4.2 20.6 1.0 CA A:GLU135 4.3 24.6 1.0 CG1 A:VAL134 4.4 16.6 1.0 O A:HOH476 5.0 19.6 1.0

Iodine binding site 6 out of 6 in the X-Ray Structure of Putative Uncharacterized Protein (RV0999 Ortholog) From Mycobacterium Smegmatis


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of X-Ray Structure of Putative Uncharacterized Protein (RV0999 Ortholog) From Mycobacterium Smegmatis within 5.0Å range: probe atom residue distance (Å) B Occ A:I306 b:64.5 occ:0.34 O A:HOH402 2.8 51.1 1.0 N A:GLY126 3.0 41.5 1.0 N A:THR125 3.4 48.1 1.0 CA A:GLY126 3.6 57.0 1.0 O A:GLU59 3.6 51.3 1.0 CG1 A:VAL61 3.7 34.9 1.0 CB A:PRO58 3.7 37.5 1.0 OG1 A:THR125 3.8 46.6 1.0 C A:GLY124 3.9 42.0 1.0 N A:ALA127 3.9 52.2 1.0 CA A:GLY124 3.9 34.8 1.0 C A:THR125 4.0 45.3 1.0 CA A:THR125 4.2 43.3 1.0 C A:GLY126 4.2 57.0 1.0 CG A:PRO58 4.3 40.6 1.0 CB A:THR125 4.6 48.3 1.0 C A:GLU59 4.8 51.0 1.0 O A:GLY124 4.8 42.3 1.0 C A:PRO58 4.8 39.1 1.0 N A:VAL61 4.8 51.1 1.0 CA A:PRO58 4.9 45.2 1.0 CB A:ALA127 4.9 44.1 1.0 CA A:ALA127 5.0 45.6 1.0 CB A:VAL61 5.0 47.6 1.0 N A:GLY124 5.0 30.5 1.0

P.S.Horanyi, D.M.Dranow, J.Abendroth, D.Lorimer, T.Edwards. X-Ray Structure of Putative Uncharacterized Protein (RV0999 Ortholog) From Mycobacterium Smegmatis To Be Published.