Chlorine in PDB 2awp: Crystal Structure of Plasmodium Knowlesi Structure of Iron Super-Oxide Dismutase

All present enzymatic activity of Crystal Structure of Plasmodium Knowlesi Structure of Iron Super-Oxide Dismutase:
1.15.1.1;

The structure of Crystal Structure of Plasmodium Knowlesi Structure of Iron Super-Oxide Dismutase, PDB code: 2awp was solved by A.Dong, Y.Zhao, J.Lew, Z.Alam, M.Melone, G.Wasney, M.Vedadi, I.Koeieradzki, A.M.Edwards, C.H.Arrowsmith, J.Weigelt, M.Sundstrom, A.Bochkarev, R.Hui, M.Amani, Structural Genomicsconsortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	55.240, 79.053, 88.672, 90.00, 90.00, 90.00
R / Rfree (%)	15.8 / 22.5

The binding sites of Chlorine atom in the Crystal Structure of Plasmodium Knowlesi Structure of Iron Super-Oxide Dismutase (pdb code 2awp). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Plasmodium Knowlesi Structure of Iron Super-Oxide Dismutase, PDB code: 2awp:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Plasmodium Knowlesi Structure of Iron Super-Oxide Dismutase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Plasmodium Knowlesi Structure of Iron Super-Oxide Dismutase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2002 b:14.0 occ:1.00 ND2 A:ASN25 3.2 8.9 1.0 CG A:GLU22 3.7 10.2 1.0 CA A:GLU22 4.0 10.3 1.0 CB A:ASN25 4.0 7.8 1.0 CE2 A:PHE26 4.1 11.4 1.0 CB A:GLU22 4.1 11.1 1.0 CG A:ASN25 4.1 9.9 1.0 O A:HOH2158 4.3 25.7 1.0 CD A:GLU22 4.6 11.8 1.0 O A:GLU22 4.6 9.0 1.0 CD2 A:PHE26 4.7 11.4 1.0 C A:GLU22 4.8 9.7 1.0 CZ A:PHE26 4.9 9.4 1.0 N A:GLU22 4.9 10.5 1.0 OE2 A:GLU22 5.0 13.0 1.0 O A:HOH2173 5.0 26.5 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Plasmodium Knowlesi Structure of Iron Super-Oxide Dismutase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Plasmodium Knowlesi Structure of Iron Super-Oxide Dismutase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl2001 b:13.4 occ:1.00 O B:HOH3060 3.1 16.7 1.0 NE2 B:HIS90 3.2 15.4 1.0 N B:TRP185 3.3 9.8 1.0 CB B:TRP185 3.7 8.9 1.0 CB B:CYS85 3.8 13.0 1.0 SG B:CYS85 3.8 14.5 1.0 CA B:CYS85 3.8 14.2 1.0 N B:ASN186 3.8 10.5 1.0 ND2 B:ASN186 3.9 18.8 1.0 CA B:TRP185 3.9 9.4 1.0 CD1 B:TRP185 3.9 8.7 1.0 CE1 B:HIS90 4.0 12.1 1.0 OD1 B:ASN184 4.1 13.1 1.0 O B:VAL183 4.1 9.6 1.0 CG B:TRP185 4.2 9.3 1.0 C B:ASN184 4.2 9.9 1.0 CG B:ASN186 4.2 13.9 1.0 CD2 B:HIS90 4.2 12.6 1.0 CA B:ASN184 4.2 9.8 1.0 C B:TRP185 4.3 10.0 1.0 N B:GLY86 4.4 12.9 1.0 C B:CYS85 4.4 13.4 1.0 OD1 B:ASN186 4.5 17.9 1.0 O B:ASN84 4.5 15.3 1.0 CB B:ASN186 4.8 11.3 1.0 CG B:ASN184 4.9 10.4 1.0 CA B:ASN186 4.9 10.9 1.0 N B:CYS85 5.0 14.0 1.0 O B:HOH3053 5.0 16.4 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