Iodine in PDB 4ijy: Crystal Structure of the Etec Secreted Protein Cofj

The structure of Crystal Structure of the Etec Secreted Protein Cofj, PDB code: 4ijy was solved by L.Craig, S.Kolappan, A.S.W.Yuen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.60
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	143.489, 143.489, 59.290, 90.00, 90.00, 120.00
R / Rfree (%)	21.2 / 24.1

The binding sites of Iodine atom in the Crystal Structure of the Etec Secreted Protein Cofj (pdb code 4ijy). 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 the Etec Secreted Protein Cofj, PDB code: 4ijy:
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 the Etec Secreted Protein Cofj


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 Etec Secreted Protein Cofj within 5.0Å range: probe atom residue distance (Å) B Occ A:I401 b:41.8 occ:1.00 OG A:SER180 3.4 34.8 0.5 O A:SER180 3.9 32.4 1.0 C A:SER180 4.1 32.4 1.0 CG A:ARG181 4.1 29.4 1.0 CA A:ARG181 4.2 30.7 1.0 CB A:ASN185 4.2 34.8 1.0 N A:ARG181 4.2 31.3 1.0 CB A:ASN184 4.3 36.2 1.0 CB A:SER180 4.4 34.3 1.0 CB A:ARG181 4.8 30.1 1.0 CG A:ASN185 4.9 35.5 1.0 CA A:SER180 4.9 33.2 1.0

Iodine binding site 2 out of 8 in the Crystal Structure of the Etec Secreted Protein Cofj


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 Etec Secreted Protein Cofj within 5.0Å range: probe atom residue distance (Å) B Occ A:I402 b:41.5 occ:0.30 OD1 A:ASN140 3.5 45.2 1.0 N A:LYS141 3.8 43.2 1.0 CB A:ASN140 3.9 44.5 1.0 CG A:LYS141 3.9 45.8 1.0 CA A:ASN140 4.0 42.3 1.0 CG A:ASN140 4.0 45.6 1.0 CD1 A:TRP57 4.1 37.5 1.0 C A:ASN140 4.4 42.2 1.0 NE1 A:TRP57 4.4 35.9 1.0 CD A:LYS141 4.6 44.4 1.0 CB A:LYS141 4.6 45.5 1.0 CA A:LYS141 4.8 43.5 1.0

Iodine binding site 3 out of 8 in the Crystal Structure of the Etec Secreted Protein Cofj


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 Etec Secreted Protein Cofj within 5.0Å range: probe atom residue distance (Å) B Occ A:I403 b:59.2 occ:0.30 N A:ASN165 3.4 39.5 1.0 CD1 A:TRP169 3.6 37.8 1.0 CA A:ASN165 3.6 40.3 1.0 OD1 A:ASN164 3.8 48.3 1.0 CG A:TRP169 4.2 36.5 1.0 NE1 A:TRP169 4.2 36.6 1.0 N A:ARG166 4.4 37.8 1.0 CG A:ASN164 4.5 43.5 1.0 CB A:TRP169 4.5 37.1 1.0 C A:ASN164 4.5 38.5 1.0 C A:ASN165 4.5 39.0 1.0 O A:ARG166 4.6 38.0 1.0 O A:HOH503 4.7 21.8 1.0 CB A:ASN165 4.8 41.3 1.0 CA A:ASN164 4.9 38.6 1.0 ND2 A:ASN164 5.0 46.2 1.0

Iodine binding site 4 out of 8 in the Crystal Structure of the Etec Secreted Protein Cofj


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 the Etec Secreted Protein Cofj within 5.0Å range: probe atom residue distance (Å) B Occ A:I404 b:50.6 occ:0.30 ND2 A:ASN196 3.8 50.6 1.0 CA A:ALA193 3.9 41.0 1.0 CG A:LYS192 4.1 40.5 1.0 N A:ALA193 4.1 39.6 1.0 CE A:LYS192 4.2 43.9 1.0 CB A:ASN196 4.2 47.9 1.0 O A:LYS192 4.3 39.2 1.0 CG A:ASN196 4.3 49.1 1.0 C A:LYS192 4.3 38.8 1.0 CB A:ALA193 4.5 41.3 1.0 CD A:LYS192 4.5 42.1 1.0 CB A:LYS192 4.9 38.9 1.0

Iodine binding site 5 out of 8 in the Crystal Structure of the Etec Secreted Protein Cofj


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 the Etec Secreted Protein Cofj within 5.0Å range: probe atom residue distance (Å) B Occ A:I405 b:64.5 occ:0.30 CB A:ALA126 3.7 50.9 1.0 CA A:VAL124 3.7 45.6 1.0 N A:ALA126 3.8 51.1 1.0 CD A:PRO125 3.9 50.8 1.0 C A:VAL124 3.9 47.1 1.0 N A:PRO125 4.0 49.4 1.0 CB A:VAL124 4.1 43.7 1.0 CG1 A:VAL124 4.2 43.5 1.0 O A:HIS123 4.2 48.0 1.0 CG A:PRO125 4.4 53.5 1.0 CA A:ALA126 4.4 51.3 1.0 O A:VAL124 4.6 46.6 1.0 C A:PRO125 4.8 51.6 1.0 N A:VAL124 4.9 45.3 1.0 CA A:PRO125 4.9 51.1 1.0

Iodine binding site 6 out of 8 in the Crystal Structure of the Etec Secreted Protein Cofj


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 the Etec Secreted Protein Cofj within 5.0Å range: probe atom residue distance (Å) B Occ A:I406 b:59.1 occ:0.30 ND2 A:ASN279 3.6 48.2 1.0 NZ A:LYS282 3.8 51.1 1.0 O A:HOH535 3.9 35.0 1.0 NH2 A:ARG310 4.1 39.4 1.0 O A:LYS278 4.2 41.9 1.0 CE A:LYS282 4.2 50.0 1.0 CB A:ASN279 4.4 45.5 1.0 CZ A:ARG310 4.5 38.7 1.0 CG A:ASN279 4.5 47.7 1.0 CB A:LYS278 4.6 45.5 1.0 C A:LYS278 4.7 43.1 1.0 NH1 A:ARG310 4.7 37.3 1.0 OXT A:ASP326 4.9 61.0 1.0 O A:HOH556 5.0 29.2 1.0

Iodine binding site 7 out of 8 in the Crystal Structure of the Etec Secreted Protein Cofj


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 the Etec Secreted Protein Cofj within 5.0Å range: probe atom residue distance (Å) B Occ A:I407 b:46.4 occ:0.30 O A:VAL64 2.6 68.8 1.0 NH1 A:ARG58 3.2 56.4 1.0 C A:VAL64 3.6 70.2 1.0 CG2 A:VAL64 3.7 64.9 1.0 NH2 A:ARG58 3.7 56.7 1.0 CZ A:ARG58 3.9 54.9 1.0 OD1 A:ASN65 4.1 71.4 1.0 CA A:VAL64 4.3 69.0 1.0 N A:TRP67 4.4 67.6 1.0 CB A:TRP67 4.4 61.8 1.0 CG A:ASN65 4.5 73.5 1.0 CB A:VAL64 4.6 68.0 1.0 N A:ASN65 4.6 73.3 1.0 CG A:PRO43 4.6 53.5 1.0 CA A:TRP67 4.7 65.2 1.0 CA A:ASN65 4.8 74.5 1.0 CE3 A:TRP67 4.8 55.9 1.0 ND2 A:ASN65 4.8 75.2 1.0 C A:PRO66 4.9 70.8 1.0

Iodine binding site 8 out of 8 in the Crystal Structure of the Etec Secreted Protein Cofj


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 the Etec Secreted Protein Cofj within 5.0Å range: probe atom residue distance (Å) B Occ A:I408 b:39.7 occ:0.30 OG A:SER218 2.9 35.5 1.0 O A:LYS216 3.5 33.1 1.0 CB A:SER218 3.7 34.9 1.0 N A:SER218 4.0 33.5 1.0 CB A:TYR230 4.0 30.5 1.0 N A:TYR230 4.0 31.1 1.0 O A:ASN228 4.0 34.9 1.0 C A:TYR229 4.1 32.2 1.0 CD A:LYS216 4.1 36.6 1.0 CG A:LYS216 4.2 34.4 1.0 C A:ASN228 4.2 35.0 1.0 CA A:TYR229 4.2 32.6 1.0 CB A:ASN228 4.2 37.5 1.0 C A:LYS216 4.2 32.2 1.0 N A:TYR229 4.3 34.0 1.0 CB A:LYS216 4.3 32.3 1.0 C A:LEU217 4.4 33.2 1.0 CA A:SER218 4.4 34.7 1.0 O A:TYR229 4.5 32.9 1.0 CE A:LYS216 4.7 41.1 1.0 CA A:TYR230 4.7 30.3 1.0 CA A:LEU217 4.7 32.3 1.0 N A:LEU217 4.8 32.0 1.0 CA A:ASN228 4.9 36.7 1.0 CA A:LYS216 4.9 31.6 1.0

A.S.Yuen, S.Kolappan, D.Ng, L.Craig. Structure and Secretion of Cofj, A Putative Colonization Factor of Enterotoxigenic Escherichia Coli. Mol.Microbiol. V. 90 898 2013.
ISSN: ISSN 0950-382X
PubMed: 24106767
DOI: 10.1111/MMI.12407