Iodine in PDB 6yvg: Crystal Structure of Mesi (LPG2505) From Legionella Pneumophila

The structure of Crystal Structure of Mesi (LPG2505) From Legionella Pneumophila, PDB code: 6yvg was solved by D.A.Machtens, J.M.Willerding, S.Eschenburg, T.F.Reubold, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.14 / 2.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	38.960, 56.910, 70.920, 90.00, 99.61, 90.00
R / Rfree (%)	18.5 / 23

The binding sites of Iodine atom in the Crystal Structure of Mesi (LPG2505) From Legionella Pneumophila (pdb code 6yvg). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 8 binding sites of Iodine where determined in the Crystal Structure of Mesi (LPG2505) From Legionella Pneumophila, PDB code: 6yvg:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iodine binding site 1 out of 8 in the Crystal Structure of Mesi (LPG2505) From Legionella Pneumophila


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 Mesi (LPG2505) From Legionella Pneumophila within 5.0Å range: probe atom residue distance (Å) B Occ A:I302 b:60.6 occ:0.59 I A:IOD305 3.0 64.8 0.5 O A:HOH407 3.3 54.4 1.0 I A:IOD307 3.4 92.2 0.4 NZ A:LYS243 3.9 55.0 1.0 NE2 A:GLN209 4.4 71.6 1.0 OE1 A:GLN209 4.5 61.2 1.0 CE1 A:HIS206 4.5 50.2 1.0 CD A:GLN209 4.9 62.2 1.0 ND1 A:HIS206 5.0 51.4 1.0

Iodine binding site 2 out of 8 in the Crystal Structure of Mesi (LPG2505) From Legionella Pneumophila


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 Mesi (LPG2505) From Legionella Pneumophila within 5.0Å range: probe atom residue distance (Å) B Occ A:I303 b:72.8 occ:0.70 CB A:ALA244 3.7 48.7 1.0 CG A:GLU241 4.1 76.5 1.0 CA A:GLU241 4.5 55.6 1.0 CB A:GLU241 4.8 62.7 1.0 O A:SER240 4.9 57.8 1.0

Iodine binding site 3 out of 8 in the Crystal Structure of Mesi (LPG2505) From Legionella Pneumophila


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 Mesi (LPG2505) From Legionella Pneumophila within 5.0Å range: probe atom residue distance (Å) B Occ A:I304 b:0.1 occ:0.70 NH1 A:ARG88 3.8 61.6 0.5 N A:ALA89 3.9 53.2 1.0 N A:ARG88 3.9 49.1 1.0 CB A:TRP63 4.0 61.6 1.0 CG A:LYS60 4.1 76.3 1.0 CB A:SER87 4.2 57.2 1.0 CE A:LYS60 4.3 76.6 1.0 CB A:ARG88 4.3 57.4 0.5 CB A:ARG88 4.3 56.1 0.5 CB A:ALA89 4.3 57.7 1.0 CB A:LYS60 4.4 68.9 1.0 CA A:LYS60 4.4 63.0 1.0 CA A:ARG88 4.5 55.0 0.5 CA A:ARG88 4.5 56.1 0.5 O A:LYS60 4.5 65.4 1.0 O A:HOH422 4.5 68.2 1.0 O A:HOH406 4.6 74.9 1.0 C A:ARG88 4.6 57.4 1.0 CD A:LYS60 4.7 78.2 1.0 CG A:TRP63 4.7 58.1 1.0 CA A:ALA89 4.7 59.9 1.0 CA A:SER87 4.7 57.9 1.0 C A:SER87 4.7 60.0 1.0 CD1 A:TRP63 4.8 59.7 1.0 OG A:SER87 4.8 54.9 1.0 CG2 A:VAL64 4.9 58.3 1.0 CG A:ARG88 4.9 59.5 0.5 C A:LYS60 5.0 60.2 1.0

Iodine binding site 4 out of 8 in the Crystal Structure of Mesi (LPG2505) From Legionella Pneumophila


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 Mesi (LPG2505) From Legionella Pneumophila within 5.0Å range: probe atom residue distance (Å) B Occ A:I305 b:64.8 occ:0.50 I A:IOD302 3.0 60.6 0.6 NE2 A:GLN209 3.3 71.6 1.0 OG A:SER240 3.6 56.0 1.0 CB A:SER240 3.6 56.2 1.0 OE1 A:GLN209 3.8 61.2 1.0 CD A:GLN209 4.0 62.2 1.0 NZ A:LYS243 4.1 55.0 1.0 CA A:SER240 4.2 51.7 1.0 O A:HOH407 4.4 54.4 1.0 CD A:LYS243 4.5 50.7 1.0 CE A:LYS243 5.0 48.0 1.0

Iodine binding site 5 out of 8 in the Crystal Structure of Mesi (LPG2505) From Legionella Pneumophila


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 Mesi (LPG2505) From Legionella Pneumophila within 5.0Å range: probe atom residue distance (Å) B Occ A:I306 b:1.0 occ:0.59 OG1 A:THR269 3.7 54.6 1.0 O A:HOH412 4.0 60.5 1.0 CA A:ALA266 4.3 45.3 1.0 N A:ALA266 4.4 48.4 1.0 O A:ASN265 4.5 59.8 1.0 NE2 A:GLN164 4.5 53.7 1.0 C A:ASN265 4.5 53.1 1.0 CB A:THR269 4.5 53.5 1.0 CD2 A:LEU207 4.6 44.5 1.0 CB A:ASN265 4.8 48.9 1.0 O A:GLY203 4.8 43.4 1.0 CB A:ALA266 4.9 47.9 1.0 CG2 A:THR269 4.9 57.4 1.0 C A:GLY203 5.0 54.3 1.0

Iodine binding site 6 out of 8 in the Crystal Structure of Mesi (LPG2505) From Legionella Pneumophila


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Crystal Structure of Mesi (LPG2505) From Legionella Pneumophila within 5.0Å range: probe atom residue distance (Å) B Occ A:I307 b:92.2 occ:0.42 I A:IOD302 3.4 60.6 0.6 OE1 A:GLU263 4.5 57.6 1.0 CE1 A:HIS206 4.9 50.2 1.0

Iodine binding site 7 out of 8 in the Crystal Structure of Mesi (LPG2505) From Legionella Pneumophila


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Crystal Structure of Mesi (LPG2505) From Legionella Pneumophila within 5.0Å range: probe atom residue distance (Å) B Occ A:I308 b:0.1 occ:0.90 OG A:SER158 4.0 72.8 1.0 CA A:PHE155 4.0 57.2 1.0 N A:PHE155 4.2 55.2 1.0 O A:ASN154 4.4 51.9 1.0 C A:ASN154 4.4 52.2 1.0 CB A:PHE155 4.5 55.0 1.0 CD1 A:PHE155 4.5 52.8 1.0 CB A:SER158 4.6 45.8 1.0 CB A:ASN154 4.7 48.2 1.0

Iodine binding site 8 out of 8 in the Crystal Structure of Mesi (LPG2505) From Legionella Pneumophila


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Crystal Structure of Mesi (LPG2505) From Legionella Pneumophila within 5.0Å range: probe atom residue distance (Å) B Occ A:I309 b:0.9 occ:0.60 ND2 A:ASN176 4.1 51.3 1.0 CD1 A:ILE137 4.2 48.7 1.0 CE2 A:TYR180 4.3 67.5 1.0 O A:HOH414 4.4 55.7 1.0 CG2 A:ILE137 4.5 45.8 1.0 OG1 A:THR134 4.5 61.4 1.0 CG2 A:THR134 4.7 56.4 1.0 CZ A:TYR180 4.7 71.0 1.0 OH A:TYR180 4.8 64.9 1.0 CA A:THR134 4.8 48.0 1.0 CB A:ILE137 4.8 54.3 1.0 CD2 A:TYR180 4.9 56.3 1.0 CB A:THR134 5.0 52.4 1.0 OD1 A:ASN176 5.0 50.3 1.0 CG A:ASN176 5.0 50.8 1.0

D.A.Machtens, J.M.Willerding, S.Eschenburg, T.F.Reubold. Crystal Structure of the Metaeffector Mesi (LPG2505) From Legionella Pneumophila. Biochem.Biophys.Res.Commun. 2020.
ISSN: ESSN 1090-2104
PubMed: 32423822
DOI: 10.1016/J.BBRC.2020.05.027