Iodine in PDB 4rx1: Crystal Structure of Antibiotic-Resistance Methyltransferase Kmr

All present enzymatic activity of Crystal Structure of Antibiotic-Resistance Methyltransferase Kmr:
2.1.1.179;

The structure of Crystal Structure of Antibiotic-Resistance Methyltransferase Kmr, PDB code: 4rx1 was solved by M.Savic, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.35 / 2.47
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	89.506, 89.506, 127.875, 90.00, 90.00, 120.00
R / Rfree (%)	21.4 / 26.3

The binding sites of Iodine atom in the Crystal Structure of Antibiotic-Resistance Methyltransferase Kmr (pdb code 4rx1). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 5 binding sites of Iodine where determined in the Crystal Structure of Antibiotic-Resistance Methyltransferase Kmr, PDB code: 4rx1:
Jump to Iodine binding site number: 1; 2; 3; 4; 5;

Iodine binding site 1 out of 5 in the Crystal Structure of Antibiotic-Resistance Methyltransferase Kmr


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 Antibiotic-Resistance Methyltransferase Kmr within 5.0Å range: probe atom residue distance (Å) B Occ A:I301 b:25.0 occ:1.00 NE1 B:TRP107 3.6 20.7 1.0 N B:PHE144 3.6 18.2 1.0 O A:HOH431 3.9 44.2 1.0 NH1 A:ARG41 3.9 26.4 1.0 CD1 B:TRP107 4.1 21.1 1.0 CA B:VAL143 4.1 21.3 1.0 CG A:ARG41 4.1 20.1 1.0 CD2 A:TYR40 4.1 21.6 1.0 CD A:ARG37 4.1 21.9 1.0 CB A:ARG37 4.1 20.8 1.0 CG A:ARG37 4.2 20.7 1.0 CB B:VAL143 4.2 26.0 1.0 CB B:PHE144 4.3 16.5 1.0 C B:VAL143 4.4 22.5 1.0 CG1 B:VAL143 4.5 15.5 1.0 CD A:ARG41 4.6 24.2 1.0 CE2 A:TYR40 4.6 21.1 1.0 CA B:PHE144 4.6 19.0 1.0 O A:ARG37 4.7 20.8 1.0 NE A:ARG37 4.8 26.1 1.0 CE2 B:TRP107 4.8 23.7 1.0 CA A:ARG37 4.9 21.6 1.0

Iodine binding site 2 out of 5 in the Crystal Structure of Antibiotic-Resistance Methyltransferase Kmr


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 Antibiotic-Resistance Methyltransferase Kmr within 5.0Å range: probe atom residue distance (Å) B Occ A:I302 b:46.6 occ:1.00 CG2 A:VAL87 3.7 43.9 1.0 O A:HOH421 3.9 42.9 1.0 N A:VAL87 3.9 39.0 1.0 CD A:PRO56 4.1 18.9 1.0 CA A:GLY32 4.1 17.9 1.0 CD2 A:LEU110 4.2 15.0 1.0 N A:GLY32 4.2 19.5 1.0 CG1 A:VAL31 4.3 16.8 1.0 CA A:SER86 4.4 35.2 1.0 CG A:PRO56 4.5 22.0 1.0 CB A:VAL87 4.6 44.1 1.0 CG1 A:VAL87 4.6 46.4 1.0 C A:SER86 4.6 36.1 1.0 O2 A:GOL303 4.8 48.0 1.0 CB A:SER86 4.8 37.6 1.0 CA A:VAL87 4.8 40.8 1.0 O A:ALA85 4.9 32.8 1.0 C A:VAL31 5.0 19.8 1.0

Iodine binding site 3 out of 5 in the Crystal Structure of Antibiotic-Resistance Methyltransferase Kmr


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 Antibiotic-Resistance Methyltransferase Kmr within 5.0Å range: probe atom residue distance (Å) B Occ B:I301 b:22.6 occ:1.00 N A:PHE144 3.6 23.1 1.0 NE1 A:TRP107 3.7 19.9 1.0 O A:HOH456 3.8 45.8 1.0 CG B:ARG41 3.9 23.9 1.0 CB B:ARG37 3.9 22.6 1.0 CG B:ARG37 4.0 22.9 1.0 CA A:VAL143 4.1 24.8 1.0 NH1 B:ARG41 4.1 26.2 1.0 CD B:ARG37 4.2 25.2 1.0 CD1 A:TRP107 4.2 20.9 1.0 CD2 B:TYR40 4.2 19.6 1.0 CB A:PHE144 4.3 19.1 1.0 C A:VAL143 4.3 27.0 1.0 CB A:VAL143 4.3 21.6 1.0 O B:ARG37 4.4 23.1 1.0 CD B:ARG41 4.4 26.2 1.0 CA A:PHE144 4.5 22.6 1.0 CG1 A:VAL143 4.6 17.1 1.0 CA B:ARG37 4.6 24.4 1.0 CE2 B:TYR40 4.8 18.7 1.0 NE B:ARG37 4.8 30.0 1.0 CE2 A:TRP107 4.9 18.7 1.0 C B:ARG37 4.9 24.2 1.0

Iodine binding site 4 out of 5 in the Crystal Structure of Antibiotic-Resistance Methyltransferase Kmr


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 Antibiotic-Resistance Methyltransferase Kmr within 5.0Å range: probe atom residue distance (Å) B Occ B:I302 b:51.2 occ:1.00 O B:HOH447 3.5 27.1 1.0 N B:TRP107 3.7 15.8 1.0 CD2 B:LEU110 3.7 18.9 1.0 CA B:PRO106 4.0 19.8 1.0 CB B:LEU110 4.2 21.2 1.0 CB B:PRO106 4.2 18.0 1.0 CB B:TRP107 4.3 18.1 1.0 C B:PRO106 4.4 18.2 1.0 O B:HOH424 4.4 25.7 1.0 CG B:LEU110 4.5 20.5 1.0 CA B:GLY32 4.5 22.2 1.0 CA B:TRP107 4.6 17.0 1.0 CG B:TRP107 4.6 21.6 1.0 O B:HOH446 4.8 41.0 1.0

Iodine binding site 5 out of 5 in the Crystal Structure of Antibiotic-Resistance Methyltransferase Kmr


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Crystal Structure of Antibiotic-Resistance Methyltransferase Kmr within 5.0Å range: probe atom residue distance (Å) B Occ B:I303 b:32.8 occ:1.00 N B:ALA150 3.8 30.6 1.0 CB B:ALA150 4.0 33.4 1.0 N B:TYR149 4.1 32.4 1.0 CB B:TYR149 4.2 37.4 1.0 CA B:TYR149 4.5 34.3 1.0 CA B:ALA150 4.5 32.5 1.0 C B:TYR149 4.6 33.4 1.0 CB B:PRO148 4.8 34.7 1.0 C B:PRO148 4.8 32.5 1.0

M.Savic, S.Sunita, N.Zelinskaya, P.M.Desai, R.Macmaster, K.Vinal, G.L.Conn. 30S Subunit-Dependent Activation of the Sorangium Cellulosum So CE56 Aminoglycoside-Resistance 16S Rrna Methyltransferase Kmr Antimicrob.Agents Chemother. 2015.
ISSN: ESSN 1098-6596