Iodine in PDB 7b76: Crystal Structure of the Effector AVRLM5-9 From Leptosphaeria Maculans

The structure of Crystal Structure of the Effector AVRLM5-9 From Leptosphaeria Maculans, PDB code: 7b76 was solved by N.Lazar, C.Mesarich, Y.Petit-Houdenot, N.Talbi, I.Li De La Sierra-Gallay, E.Zelie, K.Blondeau, J.Gracy, B.Ollivier, A.Van De Wouw, M.H.Balesdent, A.Idnurm, H.Van Tilbeurgh, I.Fudal, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.81 / 2.70
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	57.9, 57.9, 212.81, 90, 90, 120
R / Rfree (%)	27.6 / 31.2

The binding sites of Iodine atom in the Crystal Structure of the Effector AVRLM5-9 From Leptosphaeria Maculans (pdb code 7b76). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 3 binding sites of Iodine where determined in the Crystal Structure of the Effector AVRLM5-9 From Leptosphaeria Maculans, PDB code: 7b76:
Jump to Iodine binding site number: 1; 2; 3;

Iodine binding site 1 out of 3 in the Crystal Structure of the Effector AVRLM5-9 From Leptosphaeria Maculans


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 the Effector AVRLM5-9 From Leptosphaeria Maculans within 5.0Å range: probe atom residue distance (Å) B Occ A:I201 b:79.9 occ:0.96 NE2 A:HIS97 2.1 53.9 1.0 CD2 A:HIS97 3.0 49.0 1.0 CE1 A:HIS97 3.2 45.4 1.0 OD1 A:ASN93 3.8 34.6 1.0 O A:ASN93 4.0 34.0 1.0 CB A:ASN93 4.0 31.6 1.0 CG A:HIS97 4.2 44.1 1.0 O A:TRP111 4.2 33.4 1.0 ND1 A:HIS97 4.2 39.3 1.0 CG A:ASN93 4.3 31.7 1.0 C A:ASN93 4.5 36.2 1.0 CA A:ASN93 4.6 31.9 1.0

Iodine binding site 2 out of 3 in the Crystal Structure of the Effector AVRLM5-9 From Leptosphaeria Maculans


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 the Effector AVRLM5-9 From Leptosphaeria Maculans within 5.0Å range: probe atom residue distance (Å) B Occ A:I202 b:93.9 occ:0.78 NE2 A:HIS2 2.1 110.3 1.0 NE2 A:HIS4 2.1 74.4 1.0 NE2 A:HIS121 2.1 65.2 1.0 CE1 A:HIS2 3.0 115.0 1.0 CD2 A:HIS4 3.0 65.3 1.0 CE1 A:HIS121 3.1 56.1 1.0 CD2 A:HIS2 3.1 99.4 1.0 CD2 A:HIS121 3.1 56.8 1.0 CE1 A:HIS4 3.2 69.8 1.0 ND1 A:HIS2 4.1 118.2 1.0 CG A:HIS2 4.2 100.7 1.0 CG A:HIS4 4.2 64.0 1.0 ND1 A:HIS121 4.2 53.9 1.0 CG A:HIS121 4.2 51.4 1.0 ND1 A:HIS4 4.2 66.8 1.0 O A:ASN119 4.7 49.6 1.0

Iodine binding site 3 out of 3 in the Crystal Structure of the Effector AVRLM5-9 From Leptosphaeria Maculans


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 the Effector AVRLM5-9 From Leptosphaeria Maculans within 5.0Å range: probe atom residue distance (Å) B Occ A:I203 b:52.9 occ:0.39 O A:CYS122 2.8 53.2 1.0 C A:CYS122 3.3 54.8 1.0 N A:CYS122 4.1 54.0 1.0 CA A:CYS122 4.2 58.9 1.0 NH1 A:ARG82 4.4 46.0 1.0 C A:HIS121 4.6 49.9 1.0 O A:HIS121 4.7 58.6 1.0 CB A:HIS121 4.9 49.4 1.0

N.Lazar, C.H.Mesarich, Y.Petit-Houdenot, N.Talbi, I.Li De La Sierra-Gallay, E.Zelie, K.Blondeau, J.Gracy, B.Ollivier, F.Blaise, T.Rouxel, M.H.Balesdent, A.Idnurm, H.Van Tilbeurgh, I.Fudal. A New Family of Structurally Conserved Fungal Effectors Displays Epistatic Interactions with Plant Resistance Proteins. Plos Pathog. V. 18 10664 2022.
ISSN: ESSN 1553-7374
PubMed: 35793393
DOI: 10.1371/JOURNAL.PPAT.1010664