Iodine in PDB 2aqw: Structure of Putative Orotidine-Monophosphate-Decarboxylase From Plasmodium Yoelii (PY01515)

The structure of Structure of Putative Orotidine-Monophosphate-Decarboxylase From Plasmodium Yoelii (PY01515), PDB code: 2aqw was solved by A.Dong, M.Vedadi, G.Wasney, Y.Zhao, J.Lew, Z.Alam, M.Melone, I.Koeieradzki, A.M.Edwards, C.H.Arrowsmith, J.Weigelt, M.Sundstrom, A.Bochkarev, R.Hui, M.Amani, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.00
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	61.632, 61.632, 274.284, 90.00, 90.00, 120.00
R / Rfree (%)	21.1 / 26.2

The binding sites of Iodine atom in the Structure of Putative Orotidine-Monophosphate-Decarboxylase From Plasmodium Yoelii (PY01515) (pdb code 2aqw). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 6 binding sites of Iodine where determined in the Structure of Putative Orotidine-Monophosphate-Decarboxylase From Plasmodium Yoelii (PY01515), PDB code: 2aqw:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6;

Iodine binding site 1 out of 6 in the Structure of Putative Orotidine-Monophosphate-Decarboxylase From Plasmodium Yoelii (PY01515)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Structure of Putative Orotidine-Monophosphate-Decarboxylase From Plasmodium Yoelii (PY01515) within 5.0Å range: probe atom residue distance (Å) B Occ A:I1001 b:31.0 occ:1.00 O A:HOH2096 3.8 28.6 1.0 CG2 A:THR197 3.9 25.1 1.0 CB A:THR197 4.0 24.0 1.0 N A:THR198 4.0 26.2 1.0 OG1 A:THR198 4.0 30.9 1.0 CE A:LYS141 4.1 17.3 1.0 CA A:THR197 4.2 24.9 1.0 CG A:PRO267 4.3 26.3 1.0 CG1 A:VAL243 4.3 22.2 1.0 CG2 A:THR198 4.4 25.1 1.0 NZ A:LYS141 4.5 15.2 1.0 CB A:THR198 4.7 26.5 1.0 CB A:PRO267 4.7 24.7 1.0 C A:THR197 4.7 25.8 1.0 CA A:THR198 5.0 27.3 1.0

Iodine binding site 2 out of 6 in the Structure of Putative Orotidine-Monophosphate-Decarboxylase From Plasmodium Yoelii (PY01515)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Structure of Putative Orotidine-Monophosphate-Decarboxylase From Plasmodium Yoelii (PY01515) within 5.0Å range: probe atom residue distance (Å) B Occ A:I1002 b:40.9 occ:1.00 O A:HOH2111 3.1 37.8 1.0 N A:GLY70 3.6 41.8 1.0 N A:LYS45 4.0 23.5 1.0 CA A:LYS45 4.0 24.5 1.0 OD1 A:ASP69 4.0 50.1 1.0 CG2 A:ILE44 4.1 23.4 1.0 CE A:LYS45 4.2 32.4 1.0 CB A:LYS45 4.2 22.9 1.0 CB A:TYR41 4.2 30.1 1.0 CA A:GLY70 4.3 44.2 1.0 CG A:MSE48 4.4 30.9 1.0 C A:ILE44 4.5 22.9 1.0 CA A:ASP69 4.5 39.6 1.0 O A:TYR41 4.5 28.0 1.0 CE A:MSE48 4.5 28.8 1.0 C A:ASP69 4.5 40.1 1.0 CG A:ASP69 4.6 45.4 1.0 O A:ILE44 4.7 22.2 1.0 CB A:ILE44 4.7 21.5 1.0 NZ A:LYS45 4.8 29.0 1.0 O A:THR68 4.9 34.7 1.0 O A:HOH2109 5.0 46.7 1.0

Iodine binding site 3 out of 6 in the Structure of Putative Orotidine-Monophosphate-Decarboxylase From Plasmodium Yoelii (PY01515)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Structure of Putative Orotidine-Monophosphate-Decarboxylase From Plasmodium Yoelii (PY01515) within 5.0Å range: probe atom residue distance (Å) B Occ A:I1003 b:45.1 occ:1.00 CD2 A:PHE82 3.9 21.3 1.0 CG2 A:VAL117 4.1 27.1 1.0 CB A:PHE82 4.2 23.0 1.0 CG A:PHE82 4.2 23.6 1.0 CB A:TYR114 4.4 21.6 1.0 CG1 A:VAL117 4.5 23.1 1.0 CB A:VAL117 4.5 19.9 1.0 O A:HOH2063 4.5 32.0 1.0 CA A:GLU79 4.6 36.2 1.0 CE2 A:PHE82 4.6 16.3 1.0 CD1 A:TYR114 4.7 21.5 1.0 CB A:GLU79 4.8 36.2 1.0 CG A:TYR114 4.9 22.1 1.0 O A:GLU79 4.9 33.0 1.0

Iodine binding site 4 out of 6 in the Structure of Putative Orotidine-Monophosphate-Decarboxylase From Plasmodium Yoelii (PY01515)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Structure of Putative Orotidine-Monophosphate-Decarboxylase From Plasmodium Yoelii (PY01515) within 5.0Å range: probe atom residue distance (Å) B Occ A:I1004 b:59.2 occ:1.00 O A:HOH2068 2.6 30.1 1.0 O A:HOH2126 3.0 37.3 1.0 CB A:ALA271 3.7 35.8 1.0 N A:ALA298 3.8 22.9 1.0 CA A:ALA298 3.9 23.8 1.0 CA A:ALA271 3.9 35.7 1.0 C A:ARG297 4.0 22.5 1.0 N A:ALA271 4.1 35.3 1.0 O A:ARG297 4.2 22.8 1.0 CB A:ARG297 4.2 24.1 1.0 CB A:ALA298 4.4 25.3 1.0 CA A:ARG297 4.8 23.8 1.0

Iodine binding site 5 out of 6 in the Structure of Putative Orotidine-Monophosphate-Decarboxylase From Plasmodium Yoelii (PY01515)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Structure of Putative Orotidine-Monophosphate-Decarboxylase From Plasmodium Yoelii (PY01515) within 5.0Å range: probe atom residue distance (Å) B Occ A:I1005 b:72.9 occ:1.00 CB A:ASP201 3.7 29.9 1.0 CA A:ASP201 4.1 30.1 1.0 N A:ASP201 4.3 29.1 1.0 CE2 A:PHE203 4.4 37.0 1.0 CZ A:PHE203 4.6 37.3 1.0 C A:LYS200 4.6 29.7 1.0 O A:LYS200 4.6 30.5 1.0 O A:HOH2110 4.9 28.6 1.0 CG A:ASP201 5.0 29.0 1.0

Iodine binding site 6 out of 6 in the Structure of Putative Orotidine-Monophosphate-Decarboxylase From Plasmodium Yoelii (PY01515)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Structure of Putative Orotidine-Monophosphate-Decarboxylase From Plasmodium Yoelii (PY01515) within 5.0Å range: probe atom residue distance (Å) B Occ A:I1006 b:71.2 occ:1.00 O A:HOH2130 2.7 39.3 1.0 NH1 A:ARG10 3.5 29.4 1.0 NH2 A:ARG10 3.6 31.2 1.0 CE A:LYS98 3.8 33.4 1.0 CD A:LYS98 3.9 31.4 1.0 O A:LYS98 3.9 25.5 1.0 CZ A:ARG10 4.1 31.2 1.0 CG A:LYS98 4.2 29.2 1.0 CB A:LYS98 4.2 26.6 1.0 C A:LYS98 4.3 26.7 1.0 CA A:GLU99 4.5 31.3 1.0 N A:GLU99 4.6 28.3 1.0 CD1 A:ILE134 4.8 25.5 1.0 CA A:LYS98 4.9 25.6 1.0

M.Vedadi, J.Lew, J.Artz, M.Amani, Y.Zhao, A.Dong, G.A.Wasney, M.Gao, T.Hills, S.Brokx, W.Qiu, S.Sharma, A.Diassiti, Z.Alam, M.Melone, A.Mulichak, A.Wernimont, J.Bray, P.Loppnau, O.Plotnikova, K.Newberry, E.Sundararajan, S.Houston, J.Walker, W.Tempel, A.Bochkarev, I.Kozieradzki, A.Edwards, C.Arrowsmith, D.Roos, K.Kain, R.Hui. Genome-Scale Protein Expression and Structural Biology of Plasmodium Falciparum and Related Apicomplexan Organisms. Mol.Biochem.Parasitol. V. 151 100 2007.
ISSN: ISSN 0166-6851
PubMed: 17125854
DOI: 10.1016/J.MOLBIOPARA.2006.10.011