Chlorine in PDB 2av4: Crystal Structure of Plasmodium Yoelii Thioredoxin-Like Protein 4A (DIM1)

The structure of Crystal Structure of Plasmodium Yoelii Thioredoxin-Like Protein 4A (DIM1), PDB code: 2av4 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, J.Artz, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.50 / 1.73
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	109.877, 109.877, 85.170, 90.00, 90.00, 120.00
R / Rfree (%)	20.8 / 26.1

The binding sites of Chlorine atom in the Crystal Structure of Plasmodium Yoelii Thioredoxin-Like Protein 4A (DIM1) (pdb code 2av4). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Plasmodium Yoelii Thioredoxin-Like Protein 4A (DIM1), PDB code: 2av4:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Plasmodium Yoelii Thioredoxin-Like Protein 4A (DIM1)


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 Yoelii Thioredoxin-Like Protein 4A (DIM1) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1000 b:20.8 occ:1.00 O A:HOH1181 3.1 32.8 1.0 O A:HOH1124 3.1 35.9 1.0 N A:TRP30 3.3 12.8 1.0 N A:GLY29 3.7 13.0 1.0 O A:HOH1049 3.7 20.9 1.0 CB A:TRP30 3.7 14.2 1.0 CB A:SER28 3.9 13.0 1.0 CA A:TRP30 4.1 13.7 1.0 CA A:GLY29 4.2 12.6 1.0 C A:GLY29 4.2 12.7 1.0 OG A:SER28 4.4 12.2 1.0 C A:SER28 4.4 12.5 1.0 OD2 A:ASP86 4.5 17.7 1.0 O A:HOH1184 4.5 43.7 1.0 CA A:SER28 4.6 13.1 1.0 O A:HOH1176 5.0 44.5 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Plasmodium Yoelii Thioredoxin-Like Protein 4A (DIM1)


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 Yoelii Thioredoxin-Like Protein 4A (DIM1) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1001 b:13.0 occ:0.50 O A:HOH1071 2.9 26.6 1.0 OG A:SER28 3.1 12.2 1.0 CB A:SER28 3.7 13.0 1.0 CB A:ASN27 3.9 15.3 1.0 CB A:ALA31 3.9 12.4 1.0 C A:ASN27 3.9 14.0 1.0 N A:SER28 4.0 13.4 1.0 N A:ASN27 4.1 14.8 1.0 CA A:ASN27 4.2 15.3 1.0 O A:ASN27 4.3 14.8 1.0 CA A:SER28 4.5 13.1 1.0 CG A:ASN27 5.0 20.5 1.0 OD1 A:ASN27 5.0 25.8 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Plasmodium Yoelii Thioredoxin-Like Protein 4A (DIM1)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Plasmodium Yoelii Thioredoxin-Like Protein 4A (DIM1) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1002 b:31.2 occ:1.00 N A:GLY146 3.1 19.1 1.0 N A:LEU147 3.6 17.7 1.0 CG A:ARG145 3.9 23.3 1.0 CA A:ARG145 3.9 18.2 1.0 CA A:GLY146 4.0 18.7 1.0 C A:ARG145 4.0 18.1 1.0 CB A:ARG145 4.0 19.1 1.0 O A:LEU147 4.1 20.2 1.0 C A:GLY146 4.2 18.9 1.0 CB A:LEU147 4.4 18.1 1.0 CA A:LEU147 4.5 18.6 1.0 C A:LEU147 4.8 19.0 1.0 O A:HOH1149 4.9 41.6 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Plasmodium Yoelii Thioredoxin-Like Protein 4A (DIM1)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Plasmodium Yoelii Thioredoxin-Like Protein 4A (DIM1) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1003 b:31.1 occ:1.00 O A:HOH1138 3.0 36.1 1.0 NH2 A:ARG104 3.2 17.1 1.0 O A:HOH1024 3.2 22.2 1.0 CG A:GLU41 3.8 26.6 1.0 NH2 A:ARG142 4.0 40.3 1.0 CA A:GLU41 4.0 21.5 1.0 O A:ASP40 4.1 18.9 1.0 CB A:GLU41 4.4 21.3 1.0 CZ A:ARG104 4.5 18.6 1.0 CZ A:ARG142 4.7 38.3 1.0 CD A:GLU41 4.7 27.6 1.0 C A:ASP40 4.8 19.6 1.0 NH1 A:ARG142 4.8 37.7 1.0 O A:GLU41 4.8 19.5 1.0 N A:GLU41 4.8 19.2 1.0 C A:GLU41 5.0 18.8 1.0 OH A:TYR103 5.0 14.6 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