Iodine in PDB 4dny: Crystal Structure of Enterohemorrhagic E. Coli Stce(132-251)

The structure of Crystal Structure of Enterohemorrhagic E. Coli Stce(132-251), PDB code: 4dny was solved by A.C.Y.Yu, N.C.J.Strynadka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.37 / 1.61
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	56.000, 56.000, 96.880, 90.00, 90.00, 120.00
R / Rfree (%)	18.2 / 21.3

The binding sites of Iodine atom in the Crystal Structure of Enterohemorrhagic E. Coli Stce(132-251) (pdb code 4dny). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 7 binding sites of Iodine where determined in the Crystal Structure of Enterohemorrhagic E. Coli Stce(132-251), PDB code: 4dny:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7;

Iodine binding site 1 out of 7 in the Crystal Structure of Enterohemorrhagic E. Coli Stce(132-251)


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 Enterohemorrhagic E. Coli Stce(132-251) within 5.0Å range: probe atom residue distance (Å) B Occ A:I301 b:22.9 occ:0.17 O A:HOH493 3.2 45.0 1.0 N A:LYS224 3.6 18.4 1.0 CA A:ARG223 3.8 22.0 1.0 O A:LYS224 3.8 18.0 1.0 CB A:ARG223 4.0 22.2 1.0 CG A:ARG223 4.2 28.5 1.0 C A:ARG223 4.2 18.6 1.0 O A:HOH492 4.4 30.7 1.0 CG A:LYS224 4.6 21.6 1.0 O A:ASP222 4.6 26.1 1.0 C A:LYS224 4.7 17.5 1.0 CA A:LYS224 4.7 16.9 1.0 CD A:ARG223 4.8 35.9 1.0 N A:ARG223 5.0 22.9 1.0

Iodine binding site 2 out of 7 in the Crystal Structure of Enterohemorrhagic E. Coli Stce(132-251)


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 Enterohemorrhagic E. Coli Stce(132-251) within 5.0Å range: probe atom residue distance (Å) B Occ A:I302 b:2.0 occ:0.14 O A:HOH429 3.7 17.0 1.0 CE1 A:HIS183 3.8 18.0 1.0 NE2 A:HIS183 4.5 15.1 1.0 OE2 A:GLU181 4.5 18.9 1.0 ND1 A:HIS183 4.8 16.1 1.0

Iodine binding site 3 out of 7 in the Crystal Structure of Enterohemorrhagic E. Coli Stce(132-251)


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 Enterohemorrhagic E. Coli Stce(132-251) within 5.0Å range: probe atom residue distance (Å) B Occ A:I303 b:22.9 occ:0.30 OD1 A:ASN231 3.0 32.0 1.0 N A:THR232 3.6 12.4 1.0 CA A:ASN231 3.9 15.5 1.0 O A:THR232 3.9 15.4 1.0 CG A:ASN231 3.9 22.0 1.0 CB A:ASN231 4.1 16.3 1.0 C A:ASN231 4.3 15.8 1.0 O A:GLY230 4.5 20.5 1.0 CA A:THR232 4.5 12.2 1.0 C A:THR232 4.7 12.0 1.0 CB A:THR232 4.7 11.9 1.0

Iodine binding site 4 out of 7 in the Crystal Structure of Enterohemorrhagic E. Coli Stce(132-251)


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 Enterohemorrhagic E. Coli Stce(132-251) within 5.0Å range: probe atom residue distance (Å) B Occ A:I304 b:25.9 occ:0.24 O A:HOH440 3.0 18.7 1.0 ND2 A:ASN160 3.3 26.3 1.0 CA A:ALA157 4.1 15.9 1.0 CB A:ASN160 4.2 18.0 1.0 CG A:ASN160 4.3 20.2 1.0 CB A:ALA157 4.4 17.9 1.0 O A:HOH457 4.4 31.2 1.0 O A:ALA157 4.6 16.5 1.0 C A:ALA157 4.9 16.1 1.0

Iodine binding site 5 out of 7 in the Crystal Structure of Enterohemorrhagic E. Coli Stce(132-251)


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 Enterohemorrhagic E. Coli Stce(132-251) within 5.0Å range: probe atom residue distance (Å) B Occ A:I305 b:26.2 occ:0.23 O A:HOH468 2.6 36.0 1.0 CB A:SER168 4.0 24.4 1.0 O A:HOH475 4.1 30.7 1.0 N A:SER169 4.2 21.3 1.0 CB A:ASP164 4.2 21.5 1.0 CB A:LYS161 4.2 19.6 1.0 O A:LYS161 4.3 19.4 1.0 CG A:ASP164 4.3 25.3 1.0 CB A:SER169 4.4 20.2 1.0 OD1 A:ASP164 4.4 33.5 1.0 CD A:LYS161 4.5 24.6 1.0 CG A:LYS161 4.6 21.8 1.0 CA A:SER169 4.7 20.4 1.0 C A:SER168 4.7 21.3 1.0 OD2 A:ASP164 4.8 31.1 1.0 CA A:SER168 4.8 23.0 1.0 OG A:SER169 4.9 21.0 1.0 OG A:SER168 4.9 36.2 1.0 CA A:LYS161 4.9 18.4 1.0

Iodine binding site 6 out of 7 in the Crystal Structure of Enterohemorrhagic E. Coli Stce(132-251)


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 Enterohemorrhagic E. Coli Stce(132-251) within 5.0Å range: probe atom residue distance (Å) B Occ A:I306 b:29.2 occ:0.19 O A:HOH446 2.6 19.1 1.0

Iodine binding site 7 out of 7 in the Crystal Structure of Enterohemorrhagic E. Coli Stce(132-251)


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 Enterohemorrhagic E. Coli Stce(132-251) within 5.0Å range: probe atom residue distance (Å) B Occ A:I307 b:22.8 occ:0.43 N A:GLY187 3.3 13.5 1.0 O A:HOH408 3.6 10.8 1.0 CA A:GLY187 3.9 13.8 1.0 CE2 A:TYR214 4.0 18.8 1.0 CD2 A:TYR214 4.1 17.4 1.0 C A:ASN186 4.3 12.6 1.0 CA A:ASN186 4.4 12.3 1.0 C A:GLY187 4.7 13.2 1.0 CB A:TRP189 4.7 11.8 1.0 N A:ARG188 4.8 12.8 1.0 O A:ALA185 5.0 11.8 1.0 CE3 A:TRP189 5.0 14.3 1.0

A.C.Yu, L.J.Worrall, N.C.Strynadka. Structural Insight Into the Bacterial Mucinase Stce Essential to Adhesion and Immune Evasion During Enterohemorrhagic E. Coli Infection. Structure V. 20 707 2012.
ISSN: ISSN 0969-2126
PubMed: 22483117
DOI: 10.1016/J.STR.2012.02.015