Iodine in PDB 3rg2: Structure of A Two-Domain Nrps Fusion Protein Containing the Ente Adenylation Domain and Entb Aryl-Carrier Protein From Enterobactin Biosynthesis

All present enzymatic activity of Structure of A Two-Domain Nrps Fusion Protein Containing the Ente Adenylation Domain and Entb Aryl-Carrier Protein From Enterobactin Biosynthesis:
2.7.7.58;

The structure of Structure of A Two-Domain Nrps Fusion Protein Containing the Ente Adenylation Domain and Entb Aryl-Carrier Protein From Enterobactin Biosynthesis, PDB code: 3rg2 was solved by J.A.Sundlov, A.M.Gulick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.27 / 3.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	160.575, 101.771, 240.678, 90.00, 107.06, 90.00
R / Rfree (%)	21.8 / 26.4

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 25;

Binding sites:

The binding sites of Iodine atom in the Structure of A Two-Domain Nrps Fusion Protein Containing the Ente Adenylation Domain and Entb Aryl-Carrier Protein From Enterobactin Biosynthesis (pdb code 3rg2). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 25 binding sites of Iodine where determined in the Structure of A Two-Domain Nrps Fusion Protein Containing the Ente Adenylation Domain and Entb Aryl-Carrier Protein From Enterobactin Biosynthesis, PDB code: 3rg2:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 25 in the Structure of A Two-Domain Nrps Fusion Protein Containing the Ente Adenylation Domain and Entb Aryl-Carrier Protein From Enterobactin Biosynthesis


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Structure of A Two-Domain Nrps Fusion Protein Containing the Ente Adenylation Domain and Entb Aryl-Carrier Protein From Enterobactin Biosynthesis within 5.0Å range: probe atom residue distance (Å) B Occ A:I616 b:0.0 occ:1.00 NE1 A:TRP585 3.4 80.7 1.0 CD1 A:TRP585 4.1 89.3 1.0 CG1 A:VAL551 4.2 84.4 1.0 CD A:PRO542 4.5 0.1 1.0 CE2 A:TRP585 4.6 80.1 1.0 CB A:ARG584 4.7 41.4 1.0 CG2 A:VAL551 4.9 99.0 1.0

Iodine binding site 2 out of 25 in the Structure of A Two-Domain Nrps Fusion Protein Containing the Ente Adenylation Domain and Entb Aryl-Carrier Protein From Enterobactin Biosynthesis


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Structure of A Two-Domain Nrps Fusion Protein Containing the Ente Adenylation Domain and Entb Aryl-Carrier Protein From Enterobactin Biosynthesis within 5.0Å range: probe atom residue distance (Å) B Occ A:I617 b:0.3 occ:1.00 N A:TRP8 3.4 86.2 1.0 CB A:ARG7 3.6 67.4 1.0 CA A:ARG7 3.9 80.6 1.0 CE3 A:TRP8 4.0 85.2 1.0 CG A:ARG7 4.1 68.3 1.0 CB A:TRP8 4.2 0.0 1.0 C A:ARG7 4.2 89.8 1.0 NE A:ARG7 4.3 69.0 1.0 CE1 A:PHE5 4.3 46.8 1.0 CH2 A:TRP22 4.3 82.0 1.0 CA A:TRP8 4.4 0.2 1.0 CZ3 A:TRP22 4.4 92.5 1.0 O A:ASP182 4.5 54.8 1.0 CZ A:PHE5 4.5 53.4 1.0 O A:TRP8 4.5 0.5 1.0 CD A:ARG7 4.6 65.7 1.0 CB A:ASP182 4.7 0.5 1.0 CD2 A:TRP8 4.8 88.2 1.0 CZ3 A:TRP8 4.8 60.2 1.0 C A:TRP8 4.9 0.8 1.0 CG A:TRP8 4.9 91.9 1.0

Iodine binding site 3 out of 25 in the Structure of A Two-Domain Nrps Fusion Protein Containing the Ente Adenylation Domain and Entb Aryl-Carrier Protein From Enterobactin Biosynthesis


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Structure of A Two-Domain Nrps Fusion Protein Containing the Ente Adenylation Domain and Entb Aryl-Carrier Protein From Enterobactin Biosynthesis within 5.0Å range: probe atom residue distance (Å) B Occ A:I618 b:94.0 occ:1.00 CD A:ARG213 4.0 48.3 1.0 CB A:GLU216 4.1 55.2 1.0 NH1 A:ARG213 4.2 51.4 1.0 CA A:ARG213 4.3 57.2 1.0 N A:ARG213 4.7 63.6 1.0 CB A:ARG213 4.7 56.3 1.0 O A:ARG212 4.8 0.7 1.0 C A:ARG212 4.8 0.3 1.0 NE A:ARG212 4.9 57.2 1.0 CG A:ARG213 5.0 25.3 1.0

Iodine binding site 4 out of 25 in the Structure of A Two-Domain Nrps Fusion Protein Containing the Ente Adenylation Domain and Entb Aryl-Carrier Protein From Enterobactin Biosynthesis


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Structure of A Two-Domain Nrps Fusion Protein Containing the Ente Adenylation Domain and Entb Aryl-Carrier Protein From Enterobactin Biosynthesis within 5.0Å range: probe atom residue distance (Å) B Occ A:I619 b:0.9 occ:1.00 N A:LEU328 3.7 70.4 1.0 CG A:PRO321 3.7 56.1 1.0 CG A:GLN327 3.8 34.0 1.0 CA A:GLN327 3.9 69.9 1.0 CB A:PRO321 4.3 42.2 1.0 C A:GLN327 4.3 64.1 1.0 CB A:GLN327 4.3 67.0 1.0 O A:CYS326 4.5 66.9 1.0 CB A:LEU328 4.6 67.5 1.0 CG2 A:ILE351 4.6 49.3 1.0 CA A:LEU328 4.7 67.5 1.0 O A:LEU328 4.7 76.1 1.0 CD1 A:ILE351 4.7 54.4 1.0 NE2 A:GLN327 4.8 96.6 1.0 CD A:GLN327 4.8 80.1 1.0 N A:GLN327 5.0 69.0 1.0

Iodine binding site 5 out of 25 in the Structure of A Two-Domain Nrps Fusion Protein Containing the Ente Adenylation Domain and Entb Aryl-Carrier Protein From Enterobactin Biosynthesis


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Structure of A Two-Domain Nrps Fusion Protein Containing the Ente Adenylation Domain and Entb Aryl-Carrier Protein From Enterobactin Biosynthesis within 5.0Å range: probe atom residue distance (Å) B Occ B:I616 b:0.2 occ:1.00 O B:SER190 3.3 49.3 1.0 N B:LYS198 3.6 0.1 1.0 CB B:PRO197 3.9 0.1 1.0 N B:SER190 4.0 60.0 1.0 CA B:PRO197 4.0 0.4 1.0 O B:LYS198 4.0 0.4 1.0 C B:PRO197 4.2 98.0 1.0 OH B:TYR115 4.2 88.8 1.0 CE2 B:TYR115 4.3 69.7 1.0 CB B:LEU189 4.3 60.2 1.0 C B:LYS198 4.4 0.7 1.0 C B:SER190 4.4 71.2 1.0 CD2 B:LEU189 4.4 54.9 1.0 CD2 B:LEU199 4.5 80.2 1.0 CA B:LEU189 4.5 42.7 1.0 CA B:LYS198 4.5 0.4 1.0 C B:LEU189 4.6 70.3 1.0 CA B:SER190 4.6 74.3 1.0 CB B:SER190 4.7 87.1 1.0 CZ B:TYR115 4.8 76.8 1.0 CG B:LEU189 4.9 66.4 1.0 CG B:PRO197 5.0 0.8 1.0

Iodine binding site 6 out of 25 in the Structure of A Two-Domain Nrps Fusion Protein Containing the Ente Adenylation Domain and Entb Aryl-Carrier Protein From Enterobactin Biosynthesis


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Structure of A Two-Domain Nrps Fusion Protein Containing the Ente Adenylation Domain and Entb Aryl-Carrier Protein From Enterobactin Biosynthesis within 5.0Å range: probe atom residue distance (Å) B Occ B:I617 b:0.2 occ:1.00 N B:TRP8 3.4 97.9 1.0 CB B:ARG7 3.8 60.2 1.0 CE3 B:TRP8 4.0 60.6 1.0 CB B:TRP8 4.0 0.2 1.0 CA B:ARG7 4.1 74.0 1.0 CH2 B:TRP22 4.2 90.7 1.0 CG B:ARG7 4.2 51.5 1.0 CZ3 B:TRP22 4.2 0.9 1.0 C B:ARG7 4.3 79.7 1.0 CA B:TRP8 4.3 0.1 1.0 O B:TRP8 4.3 0.9 1.0 NE B:ARG7 4.5 64.2 1.0 CE1 B:PHE5 4.6 58.2 1.0 CD B:ARG7 4.7 58.0 1.0 O B:ASP182 4.7 60.0 1.0 CB B:ASP182 4.7 99.7 1.0 CD2 B:TRP8 4.8 68.8 1.0 C B:TRP8 4.8 0.8 1.0 CZ B:PHE5 4.8 77.8 1.0 CG B:TRP8 4.8 82.5 1.0 CB B:ALA13 4.9 79.1 1.0 CZ3 B:TRP8 4.9 39.9 1.0

Iodine binding site 7 out of 25 in the Structure of A Two-Domain Nrps Fusion Protein Containing the Ente Adenylation Domain and Entb Aryl-Carrier Protein From Enterobactin Biosynthesis


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Structure of A Two-Domain Nrps Fusion Protein Containing the Ente Adenylation Domain and Entb Aryl-Carrier Protein From Enterobactin Biosynthesis within 5.0Å range: probe atom residue distance (Å) B Occ B:I618 b:0.9 occ:1.00 NE1 B:TRP585 3.7 92.2 1.0 CD B:PRO542 3.8 0.5 1.0 CD1 B:TRP585 4.3 92.1 1.0 CG B:PRO542 4.3 0.3 1.0 CG1 B:VAL551 4.5 0.3 1.0 CD B:ARG584 4.5 76.2 1.0 CB B:ARG584 4.6 69.9 1.0 CD2 B:LEU581 4.7 61.2 1.0 CA B:ILE541 4.7 0.9 1.0 O B:SER540 4.9 0.8 1.0 CB B:ILE541 4.9 0.3 1.0 CE2 B:TRP585 4.9 98.1 1.0 CG B:ARG584 5.0 75.3 1.0

Iodine binding site 8 out of 25 in the Structure of A Two-Domain Nrps Fusion Protein Containing the Ente Adenylation Domain and Entb Aryl-Carrier Protein From Enterobactin Biosynthesis


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Structure of A Two-Domain Nrps Fusion Protein Containing the Ente Adenylation Domain and Entb Aryl-Carrier Protein From Enterobactin Biosynthesis within 5.0Å range: probe atom residue distance (Å) B Occ B:I619 b:0.1 occ:1.00 O B:GLU18 3.4 0.8 1.0 CG B:LYS19 3.6 75.7 1.0 C B:GLU18 3.7 99.2 1.0 CA B:LYS19 3.8 86.1 1.0 CG B:GLU18 3.9 99.2 1.0 N B:LYS19 4.0 92.6 1.0 CB B:LYS19 4.3 22.3 1.0 CB B:GLU18 4.3 0.7 1.0 CD B:GLU18 4.4 98.2 1.0 CD B:LYS19 4.5 83.8 1.0 CE B:LYS19 4.5 75.4 1.0 OE2 B:GLU18 4.6 70.1 1.0 CA B:GLU18 4.6 0.2 1.0

Iodine binding site 9 out of 25 in the Structure of A Two-Domain Nrps Fusion Protein Containing the Ente Adenylation Domain and Entb Aryl-Carrier Protein From Enterobactin Biosynthesis


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of Structure of A Two-Domain Nrps Fusion Protein Containing the Ente Adenylation Domain and Entb Aryl-Carrier Protein From Enterobactin Biosynthesis within 5.0Å range: probe atom residue distance (Å) B Occ B:I620 b:0.6 occ:1.00 CG B:PRO321 3.7 57.4 1.0 N B:LEU328 3.8 67.5 1.0 CG B:GLN327 4.0 27.1 1.0 CA B:GLN327 4.3 85.5 1.0 CB B:PRO321 4.3 55.1 1.0 CG2 B:ILE351 4.4 42.2 1.0 CB B:LEU328 4.5 62.9 1.0 CD1 B:ILE351 4.6 45.9 1.0 C B:GLN327 4.6 84.8 1.0 O B:LEU328 4.7 73.6 1.0 CB B:GLN327 4.7 68.8 1.0 CA B:LEU328 4.7 52.8 1.0 O B:CYS326 4.8 93.2 1.0 CB B:ILE351 4.9 63.7 1.0 CD B:PRO321 4.9 66.7 1.0

Iodine binding site 10 out of 25 in the Structure of A Two-Domain Nrps Fusion Protein Containing the Ente Adenylation Domain and Entb Aryl-Carrier Protein From Enterobactin Biosynthesis


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 10 of Structure of A Two-Domain Nrps Fusion Protein Containing the Ente Adenylation Domain and Entb Aryl-Carrier Protein From Enterobactin Biosynthesis within 5.0Å range: probe atom residue distance (Å) B Occ C:I616 b:0.2 occ:1.00 N C:TRP8 3.8 97.5 1.0 CZ3 C:TRP22 3.8 98.2 1.0 CH2 C:TRP22 3.9 94.7 1.0 CE3 C:TRP8 3.9 91.0 1.0 CB C:ARG7 4.2 68.0 1.0 CB C:ASP182 4.3 0.7 1.0 CB C:TRP8 4.3 0.9 1.0 O C:ASP182 4.4 84.9 1.0 CA C:ARG7 4.5 81.7 1.0 CE1 C:PHE5 4.6 63.6 1.0 CA C:TRP8 4.6 0.1 1.0 C C:ARG7 4.7 83.2 1.0 CZ C:PHE5 4.7 74.5 1.0 O C:TRP8 4.7 0.5 1.0 CZ3 C:TRP8 4.8 62.6 1.0 CD2 C:TRP8 4.8 90.0 1.0 CB C:ALA13 4.9 85.6 1.0 CG C:TRP8 5.0 87.2 1.0

J.A.Sundlov, C.Shi, D.J.Wilson, C.C.Aldrich, A.M.Gulick. Structural and Functional Investigation of the Intermolecular Interaction Between Nrps Adenylation and Carrier Protein Domains. Chem.Biol. V. 19 188 2012.
ISSN: ISSN 1074-5521
PubMed: 22365602
DOI: 10.1016/J.CHEMBIOL.2011.11.013