Iodine in PDB 3ru6: 1.8 Angstrom Resolution Crystal Structure of Orotidine 5'-Phosphate Decarboxylase (Pyrf) From Campylobacter Jejuni Subsp. Jejuni Nctc 11168

All present enzymatic activity of 1.8 Angstrom Resolution Crystal Structure of Orotidine 5'-Phosphate Decarboxylase (Pyrf) From Campylobacter Jejuni Subsp. Jejuni Nctc 11168:
4.1.1.23;

The structure of 1.8 Angstrom Resolution Crystal Structure of Orotidine 5'-Phosphate Decarboxylase (Pyrf) From Campylobacter Jejuni Subsp. Jejuni Nctc 11168, PDB code: 3ru6 was solved by A.S.Halavaty, G.Minasov, L.Shuvalova, I.Dubrovska, J.Winsor, L.Papazisi, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.12 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	44.598, 108.308, 97.707, 90.00, 95.73, 90.00
R / Rfree (%)	16.8 / 20.3

The structure of 1.8 Angstrom Resolution Crystal Structure of Orotidine 5'-Phosphate Decarboxylase (Pyrf) From Campylobacter Jejuni Subsp. Jejuni Nctc 11168 also contains other interesting chemical elements:

Chlorine

(Cl)

4 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 26;

Binding sites:

The binding sites of Iodine atom in the 1.8 Angstrom Resolution Crystal Structure of Orotidine 5'-Phosphate Decarboxylase (Pyrf) From Campylobacter Jejuni Subsp. Jejuni Nctc 11168 (pdb code 3ru6). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 26 binding sites of Iodine where determined in the 1.8 Angstrom Resolution Crystal Structure of Orotidine 5'-Phosphate Decarboxylase (Pyrf) From Campylobacter Jejuni Subsp. Jejuni Nctc 11168, PDB code: 3ru6:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 26 in the 1.8 Angstrom Resolution Crystal Structure of Orotidine 5'-Phosphate Decarboxylase (Pyrf) From Campylobacter Jejuni Subsp. Jejuni Nctc 11168


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of 1.8 Angstrom Resolution Crystal Structure of Orotidine 5'-Phosphate Decarboxylase (Pyrf) From Campylobacter Jejuni Subsp. Jejuni Nctc 11168 within 5.0Å range: probe atom residue distance (Å) B Occ A:I281 b:28.6 occ:0.60 O A:HOH305 3.2 16.5 1.0 O D:HOH321 3.2 21.5 1.0 O D:LEU59 3.6 23.4 0.5 O A:LEU59 3.7 20.9 0.5 CD1 D:LEU33 4.1 24.7 1.0 CD1 A:LEU33 4.1 22.9 1.0 CD1 D:PHE61 4.3 21.8 1.0 CD1 A:PHE61 4.3 20.5 1.0 O D:LYS60 4.5 20.5 0.5 O A:LYS60 4.6 20.8 0.5 C D:LEU59 4.7 22.8 0.5 O A:HOH312 4.7 18.7 1.0 O D:HOH288 4.7 16.9 1.0 C A:LEU59 4.8 19.9 0.5 O D:LYS60 4.8 20.7 0.5 CE1 A:PHE61 4.8 24.1 1.0 CE1 D:PHE61 4.8 22.7 1.0 C D:LYS60 4.8 20.8 0.5 CA D:PHE61 4.8 20.2 1.0 CB A:LEU59 4.9 21.1 0.5 CB D:LEU59 4.9 23.8 0.5 CA A:PHE61 4.9 21.3 1.0 O A:LYS60 4.9 20.2 0.5 C A:LYS60 4.9 20.4 0.5

Iodine binding site 2 out of 26 in the 1.8 Angstrom Resolution Crystal Structure of Orotidine 5'-Phosphate Decarboxylase (Pyrf) From Campylobacter Jejuni Subsp. Jejuni Nctc 11168


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of 1.8 Angstrom Resolution Crystal Structure of Orotidine 5'-Phosphate Decarboxylase (Pyrf) From Campylobacter Jejuni Subsp. Jejuni Nctc 11168 within 5.0Å range: probe atom residue distance (Å) B Occ A:I282 b:33.3 occ:0.60 O A:HOH357 3.5 25.1 1.0 NH1 A:ARG207 3.6 52.2 1.0 NE A:ARG207 3.7 42.8 1.0 CZ A:ARG207 4.0 49.9 1.0 CG A:PRO208 4.0 24.8 1.0 CD A:PRO208 4.0 23.0 1.0 CB A:ARG207 4.0 25.4 1.0 NE A:ARG177 4.0 45.3 1.0 CZ A:ARG177 4.3 49.1 1.0 N A:PRO208 4.4 22.9 1.0 CD A:ARG177 4.5 39.1 1.0 NH2 A:ARG177 4.5 50.7 1.0 CG A:ARG177 4.6 32.5 1.0 CD A:ARG207 4.7 37.2 1.0 C A:ARG207 4.9 23.1 1.0 CG A:ARG207 4.9 30.6 1.0 CA A:ARG207 4.9 23.9 1.0 CA A:PRO208 5.0 24.1 1.0 NH1 A:ARG177 5.0 52.6 1.0

Iodine binding site 3 out of 26 in the 1.8 Angstrom Resolution Crystal Structure of Orotidine 5'-Phosphate Decarboxylase (Pyrf) From Campylobacter Jejuni Subsp. Jejuni Nctc 11168


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of 1.8 Angstrom Resolution Crystal Structure of Orotidine 5'-Phosphate Decarboxylase (Pyrf) From Campylobacter Jejuni Subsp. Jejuni Nctc 11168 within 5.0Å range: probe atom residue distance (Å) B Occ A:I283 b:52.1 occ:0.80 O A:HOH354 3.5 34.1 1.0 CA A:PHE43 3.7 29.5 1.0 CE A:LYS12 3.8 42.3 1.0 N A:PHE43 3.8 30.1 1.0 CG A:LYS42 3.9 33.8 0.5 CD A:LYS42 4.0 35.8 0.5 C A:LYS42 4.0 31.3 0.5 C A:LYS42 4.0 31.1 0.5 CG A:GLU46 4.1 34.8 1.0 NZ A:LYS12 4.1 44.6 1.0 CB A:PHE43 4.1 29.5 1.0 CD A:LYS12 4.1 40.8 1.0 O A:LYS42 4.1 31.2 0.5 O A:LYS42 4.2 31.0 0.5 CB A:LYS42 4.3 33.4 0.5 CB A:LYS42 4.4 33.9 0.5 CE A:LYS42 4.4 36.1 0.5 CG A:LYS12 4.4 35.2 1.0 CB A:ASP39 4.5 33.5 1.0 CD1 A:PHE43 4.5 29.8 1.0 CB A:GLU46 4.7 31.8 1.0 CA A:LYS42 4.8 32.0 0.5 CG A:PHE43 4.8 29.8 1.0 CA A:LYS42 4.8 32.4 0.5 CG A:ASP39 4.8 34.6 1.0 O A:ASP39 5.0 33.1 1.0

Iodine binding site 4 out of 26 in the 1.8 Angstrom Resolution Crystal Structure of Orotidine 5'-Phosphate Decarboxylase (Pyrf) From Campylobacter Jejuni Subsp. Jejuni Nctc 11168


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of 1.8 Angstrom Resolution Crystal Structure of Orotidine 5'-Phosphate Decarboxylase (Pyrf) From Campylobacter Jejuni Subsp. Jejuni Nctc 11168 within 5.0Å range: probe atom residue distance (Å) B Occ A:I284 b:25.8 occ:0.80 O A:HOH571 3.4 35.2 1.0 O A:HOH329 3.6 18.8 1.0 N A:GLY175 3.6 24.1 1.0 CG1 A:VAL204 3.8 22.8 1.0 CB A:ALA6 4.0 22.2 1.0 CA A:GLY175 4.2 24.1 1.0 CB A:PRO174 4.2 24.2 1.0 CB A:VAL204 4.3 21.8 1.0 N A:GLY206 4.3 21.4 1.0 O A:VAL204 4.4 22.2 1.0 C A:VAL204 4.5 22.4 1.0 CA A:GLY206 4.6 22.2 1.0 C A:PRO174 4.6 24.4 1.0 O A:HOH321 4.6 17.2 1.0 C A:VAL205 4.6 21.4 1.0 CA A:PRO174 4.7 23.9 1.0 CE A:LYS30 4.7 22.2 1.0 O A:HOH499 4.7 22.4 1.0 O A:HOH343 4.7 31.4 1.0 N A:VAL205 4.8 21.9 1.0 O A:HOH390 5.0 24.4 1.0 CA A:VAL205 5.0 21.9 1.0

Iodine binding site 5 out of 26 in the 1.8 Angstrom Resolution Crystal Structure of Orotidine 5'-Phosphate Decarboxylase (Pyrf) From Campylobacter Jejuni Subsp. Jejuni Nctc 11168


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of 1.8 Angstrom Resolution Crystal Structure of Orotidine 5'-Phosphate Decarboxylase (Pyrf) From Campylobacter Jejuni Subsp. Jejuni Nctc 11168 within 5.0Å range: probe atom residue distance (Å) B Occ A:I285 b:34.3 occ:0.90 O A:HOH428 3.5 44.4 1.0 O A:HOH345 3.7 32.9 1.0 N A:THR117 3.7 28.4 1.0 OG1 A:THR117 3.8 34.9 1.0 O A:HOH367 4.0 29.0 1.0 CG1 A:VAL152 4.1 22.4 1.0 CD2 A:LEU116 4.1 18.8 1.0 CA A:LEU116 4.1 24.6 1.0 CE A:LYS60 4.2 19.7 0.5 CE A:LYS60 4.4 19.2 0.5 CG2 A:THR117 4.4 34.0 1.0 CG A:PRO174 4.4 25.6 1.0 C A:LEU116 4.4 26.2 1.0 CB A:THR117 4.5 31.0 1.0 CA A:THR117 4.7 30.0 1.0 O A:ALA115 4.7 25.7 1.0 O A:HOH333 4.7 5.1 0.3 CB A:LEU116 4.8 23.3 1.0 O A:HOH333 4.8 24.8 0.7 CG1 A:VAL113 4.8 24.0 1.0 NZ A:LYS60 4.9 19.2 0.5

Iodine binding site 6 out of 26 in the 1.8 Angstrom Resolution Crystal Structure of Orotidine 5'-Phosphate Decarboxylase (Pyrf) From Campylobacter Jejuni Subsp. Jejuni Nctc 11168


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of 1.8 Angstrom Resolution Crystal Structure of Orotidine 5'-Phosphate Decarboxylase (Pyrf) From Campylobacter Jejuni Subsp. Jejuni Nctc 11168 within 5.0Å range: probe atom residue distance (Å) B Occ A:I286 b:35.9 occ:0.70 NE A:ARG100 3.6 33.1 1.0 O A:HOH300 3.6 20.1 1.0 NZ A:LYS103 3.7 29.5 1.0 CE A:LYS103 3.8 31.8 1.0 CG2 A:THR99 4.0 29.6 1.0 CA A:ARG100 4.0 27.2 1.0 CD A:ARG100 4.1 31.6 1.0 O A:THR99 4.2 27.7 1.0 N A:ARG100 4.3 26.1 1.0 C A:THR99 4.3 27.1 1.0 CG A:LYS103 4.4 28.7 1.0 CB A:ARG100 4.5 26.6 1.0 CZ A:ARG100 4.6 34.5 1.0 NH2 A:ARG100 4.7 34.7 1.0 CD A:LYS103 4.7 30.7 1.0 O A:HOH490 4.8 24.1 1.0 CB A:THR99 4.9 27.2 1.0 CG A:ARG100 5.0 29.1 1.0

Iodine binding site 7 out of 26 in the 1.8 Angstrom Resolution Crystal Structure of Orotidine 5'-Phosphate Decarboxylase (Pyrf) From Campylobacter Jejuni Subsp. Jejuni Nctc 11168


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of 1.8 Angstrom Resolution Crystal Structure of Orotidine 5'-Phosphate Decarboxylase (Pyrf) From Campylobacter Jejuni Subsp. Jejuni Nctc 11168 within 5.0Å range: probe atom residue distance (Å) B Occ A:I287 b:32.4 occ:0.80 N A:PHE179 3.6 33.0 1.0 CD A:PRO178 3.9 28.4 1.0 C A:ARG177 3.9 28.2 1.0 N A:GLY180 4.0 35.4 1.0 N A:PRO178 4.0 28.6 1.0 CA A:ARG177 4.1 27.2 1.0 CB A:ARG177 4.1 28.2 1.0 CB A:PRO208 4.1 24.3 1.0 C A:PHE179 4.2 35.9 1.0 CG A:PRO178 4.2 30.2 1.0 CA A:PHE179 4.3 35.2 1.0 CG A:PRO208 4.3 24.8 1.0 O A:ARG177 4.4 27.8 1.0 CB A:PHE179 4.4 35.7 1.0 CD2 A:PHE179 4.4 37.8 1.0 CA A:GLY180 4.6 36.7 1.0 C A:PRO178 4.7 31.9 1.0 NE A:ARG177 4.7 45.3 1.0 O A:PHE179 4.7 36.8 1.0 CA A:PRO178 4.8 30.5 1.0 CG A:PHE179 4.9 37.3 1.0 CG A:ARG177 5.0 32.5 1.0

Iodine binding site 8 out of 26 in the 1.8 Angstrom Resolution Crystal Structure of Orotidine 5'-Phosphate Decarboxylase (Pyrf) From Campylobacter Jejuni Subsp. Jejuni Nctc 11168


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of 1.8 Angstrom Resolution Crystal Structure of Orotidine 5'-Phosphate Decarboxylase (Pyrf) From Campylobacter Jejuni Subsp. Jejuni Nctc 11168 within 5.0Å range: probe atom residue distance (Å) B Occ B:I280 b:31.9 occ:0.80 N B:THR117 3.7 27.4 1.0 O B:HOH342 3.9 29.5 1.0 OG1 B:THR117 4.0 33.7 1.0 CG2 B:THR117 4.0 33.2 1.0 CD2 B:LEU116 4.0 23.1 1.0 CA B:LEU116 4.1 24.6 1.0 CG1 B:VAL152 4.2 23.6 1.0 CE B:LYS60 4.3 21.1 0.5 CE B:LYS60 4.3 21.1 0.5 CG B:PRO174 4.3 24.6 1.0 C B:LEU116 4.4 25.7 1.0 CB B:THR117 4.4 30.1 1.0 O B:HOH338 4.6 22.1 0.5 CA B:THR117 4.7 29.5 1.0 O B:HOH338 4.7 18.9 0.5 CB B:LEU116 4.7 23.4 1.0 O B:ALA115 4.8 27.0 1.0 CG1 B:VAL113 4.8 26.5 1.0 CG2 C:ILE64 4.9 22.2 1.0 NZ B:LYS60 5.0 19.8 0.5 NZ B:LYS60 5.0 18.7 0.5

Iodine binding site 9 out of 26 in the 1.8 Angstrom Resolution Crystal Structure of Orotidine 5'-Phosphate Decarboxylase (Pyrf) From Campylobacter Jejuni Subsp. Jejuni Nctc 11168


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of 1.8 Angstrom Resolution Crystal Structure of Orotidine 5'-Phosphate Decarboxylase (Pyrf) From Campylobacter Jejuni Subsp. Jejuni Nctc 11168 within 5.0Å range: probe atom residue distance (Å) B Occ B:I281 b:35.7 occ:0.80 N B:PHE179 3.6 35.6 1.0 C B:ARG177 4.0 30.7 1.0 CD B:PRO178 4.0 29.8 1.0 N B:GLY180 4.0 40.0 1.0 CB B:PRO208 4.1 24.8 1.0 N B:PRO178 4.1 30.4 1.0 CA B:ARG177 4.1 29.9 1.0 CB B:ARG177 4.1 31.7 1.0 C B:PHE179 4.1 39.8 1.0 CG B:PRO178 4.2 31.2 1.0 CG B:PRO208 4.2 25.3 1.0 CA B:PHE179 4.2 38.4 1.0 CB B:PHE179 4.4 39.2 1.0 O B:ARG177 4.4 30.0 1.0 CD2 B:PHE179 4.6 38.9 1.0 C B:PRO178 4.7 34.6 1.0 CA B:GLY180 4.7 41.9 1.0 O B:PHE179 4.7 40.8 1.0 CA B:PRO178 4.8 32.4 1.0 O B:HOH331 4.9 15.0 1.0 CG B:PHE179 5.0 39.4 1.0

Iodine binding site 10 out of 26 in the 1.8 Angstrom Resolution Crystal Structure of Orotidine 5'-Phosphate Decarboxylase (Pyrf) From Campylobacter Jejuni Subsp. Jejuni Nctc 11168


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 10 of 1.8 Angstrom Resolution Crystal Structure of Orotidine 5'-Phosphate Decarboxylase (Pyrf) From Campylobacter Jejuni Subsp. Jejuni Nctc 11168 within 5.0Å range: probe atom residue distance (Å) B Occ B:I282 b:34.2 occ:0.70 NH2 B:ARG207 3.6 51.5 1.0 CZ B:ARG207 3.9 49.0 1.0 NE B:ARG207 4.4 43.1 1.0 NH1 B:ARG207 4.4 51.0 1.0 CD B:ARG207 4.6 36.7 1.0 I B:IOD284 4.9 37.8 0.7

A.S.Halavaty, G.Minasov, L.Shuvalova, I.Dubrovska, J.Winsor, L.Papazisi, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid). 1.8 Angstrom Resolution Crystal Structure of Orotidine 5'-Phosphate Decarboxylase (Pyrf) From Campylobacter Jejuni Subsp. Jejuni Nctc 11168 To Be Published.