Iodine in PDB 2fds: Crystal Structure of Plasmodium Berghei Orotidine 5'-Monophosphate Decarboxylase (Ortholog of Plasmodium Falciparum PF10_0225)

The structure of Crystal Structure of Plasmodium Berghei Orotidine 5'-Monophosphate Decarboxylase (Ortholog of Plasmodium Falciparum PF10_0225), PDB code: 2fds was solved by W.Qiu, A.Dong, G.Wasney, M.Vedadi, J.Lew, I.Kozieradski, Z.Alam, M.Melone, J.Weigelt, M.Sundstrom, A.Edwards, C.Arrowsmith, R.Hui, M.Gao, A.Bochkarev, J.D.Artz, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.22 / 1.72
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	44.202, 108.623, 69.890, 90.00, 97.30, 90.00
R / Rfree (%)	18.6 / 22.1

The binding sites of Iodine atom in the Crystal Structure of Plasmodium Berghei Orotidine 5'-Monophosphate Decarboxylase (Ortholog of Plasmodium Falciparum PF10_0225) (pdb code 2fds). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 2 binding sites of Iodine where determined in the Crystal Structure of Plasmodium Berghei Orotidine 5'-Monophosphate Decarboxylase (Ortholog of Plasmodium Falciparum PF10_0225), PDB code: 2fds:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in the Crystal Structure of Plasmodium Berghei Orotidine 5'-Monophosphate Decarboxylase (Ortholog of Plasmodium Falciparum PF10_0225)


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 Plasmodium Berghei Orotidine 5'-Monophosphate Decarboxylase (Ortholog of Plasmodium Falciparum PF10_0225) within 5.0Å range: probe atom residue distance (Å) B Occ A:I1002 b:27.4 occ:1.00 CB A:THR196 3.9 18.6 1.0 CG2 A:THR196 3.9 18.4 1.0 O A:HOH1112 3.9 29.4 1.0 N A:THR197 4.0 19.9 1.0 CA A:THR196 4.2 17.8 1.0 OG1 A:THR197 4.2 23.0 1.0 CG2 A:THR197 4.3 21.9 1.0 CG A:PRO266 4.3 20.9 1.0 CG1 A:VAL242 4.3 14.9 1.0 CE A:LYS140 4.5 15.2 1.0 CE B:MET170 4.5 21.0 1.0 C A:THR196 4.6 19.0 1.0 CB A:PRO266 4.7 20.6 1.0 CB A:THR197 4.7 23.0 1.0 CG2 B:ILE144 4.7 20.9 1.0 NZ A:LYS140 4.9 13.0 1.0 CD A:PRO266 4.9 19.4 1.0 CA A:THR197 4.9 21.6 1.0

Iodine binding site 2 out of 2 in the Crystal Structure of Plasmodium Berghei Orotidine 5'-Monophosphate Decarboxylase (Ortholog of Plasmodium Falciparum PF10_0225)


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 Plasmodium Berghei Orotidine 5'-Monophosphate Decarboxylase (Ortholog of Plasmodium Falciparum PF10_0225) within 5.0Å range: probe atom residue distance (Å) B Occ B:I1001 b:24.3 occ:1.00 CB B:THR196 3.8 16.4 1.0 CG2 B:THR196 3.9 16.8 1.0 N B:THR197 4.0 18.0 1.0 CG B:PRO266 4.1 19.8 1.0 CA B:THR196 4.1 17.2 1.0 OG1 B:THR197 4.2 21.4 1.0 O A:HOH1155 4.2 38.1 1.0 CE B:LYS140 4.3 14.5 1.0 CG1 B:VAL242 4.3 14.1 1.0 CG2 B:THR197 4.4 21.6 1.0 CE A:MET170 4.4 20.9 1.0 C B:THR196 4.6 19.1 1.0 CB B:PRO266 4.6 17.9 1.0 CB B:THR197 4.7 21.1 1.0 NZ B:LYS140 4.7 11.5 1.0 CG2 A:ILE144 4.7 19.6 1.0 CD B:PRO266 4.9 17.5 1.0 CA B:THR197 5.0 20.9 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