Iodine in PDB 4b9h: Cladosporium Fulvum Lysm Effector ECP6 in Complex with A Beta-1,4-Linked N-Acetyl-D-Glucosamine Tetramer: I3C Heavy Atom Derivative

The structure of Cladosporium Fulvum Lysm Effector ECP6 in Complex with A Beta-1,4-Linked N-Acetyl-D-Glucosamine Tetramer: I3C Heavy Atom Derivative, PDB code: 4b9h was solved by R.Saleem-Batcha, A.Sanchez-Vallet, G.Hansen, B.P.H.J.Thomma, J.R.Mesters, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.13 / 2.10
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	57.889, 57.889, 119.679, 90.00, 90.00, 120.00
R / Rfree (%)	21.042 / 26.572

The binding sites of Iodine atom in the Cladosporium Fulvum Lysm Effector ECP6 in Complex with A Beta-1,4-Linked N-Acetyl-D-Glucosamine Tetramer: I3C Heavy Atom Derivative (pdb code 4b9h). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 3 binding sites of Iodine where determined in the Cladosporium Fulvum Lysm Effector ECP6 in Complex with A Beta-1,4-Linked N-Acetyl-D-Glucosamine Tetramer: I3C Heavy Atom Derivative, PDB code: 4b9h:
Jump to Iodine binding site number: 1; 2; 3;

Iodine binding site 1 out of 3 in the Cladosporium Fulvum Lysm Effector ECP6 in Complex with A Beta-1,4-Linked N-Acetyl-D-Glucosamine Tetramer: I3C Heavy Atom Derivative


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Cladosporium Fulvum Lysm Effector ECP6 in Complex with A Beta-1,4-Linked N-Acetyl-D-Glucosamine Tetramer: I3C Heavy Atom Derivative within 5.0Å range: probe atom residue distance (Å) B Occ A:I1203 b:70.8 occ:0.50 I3 A:I3C1203 0.0 70.8 0.5 C6 A:I3C1203 2.0 58.7 0.5 C5 A:I3C1203 3.0 61.7 0.5 C1 A:I3C1203 3.0 54.9 0.5 N13 A:I3C1203 3.1 74.4 0.5 C7 A:I3C1203 3.3 54.6 0.5 O9 A:I3C1203 3.6 55.8 0.5 CD2 A:HIS161 3.7 63.0 1.0 O8 A:I3C1203 3.8 59.4 0.5 NE2 A:HIS161 4.1 65.8 1.0 C4 A:I3C1203 4.4 56.8 0.5 C2 A:I3C1203 4.4 57.2 0.5 CG A:HIS161 4.7 57.8 1.0 C3 A:I3C1203 4.9 55.4 0.5

Iodine binding site 2 out of 3 in the Cladosporium Fulvum Lysm Effector ECP6 in Complex with A Beta-1,4-Linked N-Acetyl-D-Glucosamine Tetramer: I3C Heavy Atom Derivative


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Cladosporium Fulvum Lysm Effector ECP6 in Complex with A Beta-1,4-Linked N-Acetyl-D-Glucosamine Tetramer: I3C Heavy Atom Derivative within 5.0Å range: probe atom residue distance (Å) B Occ A:I1203 b:58.2 occ:0.50 I2 A:I3C1203 0.0 58.2 0.5 C4 A:I3C1203 2.0 56.8 0.5 C5 A:I3C1203 3.0 61.7 0.5 C3 A:I3C1203 3.1 55.4 0.5 N13 A:I3C1203 3.2 74.4 0.5 C10 A:I3C1203 3.4 59.5 0.5 CD A:LYS192 3.6 56.7 1.0 O12 A:I3C1203 3.8 64.7 0.5 CB A:ASP190 3.8 45.1 1.0 O11 A:I3C1203 3.8 63.7 0.5 ND1 A:HIS161 4.0 63.6 1.0 CG A:LYS192 4.0 50.0 1.0 CA A:ASP190 4.0 42.9 1.0 C A:ASP190 4.1 40.0 1.0 CG A:ASP190 4.1 53.1 1.0 CB A:LYS192 4.1 47.1 1.0 O A:ASP190 4.2 40.2 1.0 OD2 A:ASP190 4.2 56.8 1.0 CE1 A:HIS161 4.3 65.4 1.0 C6 A:I3C1203 4.4 58.7 0.5 C2 A:I3C1203 4.4 57.2 0.5 CG A:HIS161 4.6 57.8 1.0 CE A:LYS192 4.6 60.6 1.0 O A:CYS191 4.7 40.2 1.0 OD1 A:ASP190 4.7 59.5 1.0 N A:CYS191 4.8 37.1 1.0 C1 A:I3C1203 5.0 54.9 0.5 C A:CYS191 5.0 39.1 1.0 NE2 A:HIS161 5.0 65.8 1.0

Iodine binding site 3 out of 3 in the Cladosporium Fulvum Lysm Effector ECP6 in Complex with A Beta-1,4-Linked N-Acetyl-D-Glucosamine Tetramer: I3C Heavy Atom Derivative


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Cladosporium Fulvum Lysm Effector ECP6 in Complex with A Beta-1,4-Linked N-Acetyl-D-Glucosamine Tetramer: I3C Heavy Atom Derivative within 5.0Å range: probe atom residue distance (Å) B Occ A:I1203 b:72.2 occ:0.50 I1 A:I3C1203 0.0 72.2 0.5 C2 A:I3C1203 2.0 57.2 0.5 C1 A:I3C1203 3.0 54.9 0.5 C3 A:I3C1203 3.0 55.4 0.5 C7 A:I3C1203 3.2 54.6 0.5 C10 A:I3C1203 3.2 59.5 0.5 O8 A:I3C1203 3.4 59.4 0.5 O12 A:I3C1203 3.6 64.7 0.5 O11 A:I3C1203 3.6 63.7 0.5 O9 A:I3C1203 3.8 55.8 0.5 C6 A:I3C1203 4.3 58.7 0.5 C4 A:I3C1203 4.4 56.8 0.5 O6 A:NAG1197 4.5 84.5 1.0 C5 A:I3C1203 4.9 61.7 0.5

A.Sanchez-Vallet, R.Saleem-Batcha, A.Kombrink, G.Hansen, D.J.Valkenburg, B.P.H.J.Thomma, J.R.Mesters. Fungal Effector ECP6 Outcompetes Host Immune Receptor For Chitin Binding Through Intrachain Lysm Dimerization Elife V. 2 00790 2013.
ISSN: ISSN 2050-084X
PubMed: 23840930
DOI: 10.7554/ELIFE.00790