Arsenic in PDB 6sy0: Structure of the Plasmodium Falciparum SIP2 Dna-Binding AP2 Tandem Repeat in Complex with Two SPE2 Half-Sites

The structure of Structure of the Plasmodium Falciparum SIP2 Dna-Binding AP2 Tandem Repeat in Complex with Two SPE2 Half-Sites, PDB code: 6sy0 was solved by D.Reiter, A.Kantsadi, I.Vakonakis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.93 / 3.10
Space group	P 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	80.350, 43.720, 153.710, 90.00, 92.17, 90.00
R / Rfree (%)	27.4 / 31.8

The binding sites of Arsenic atom in the Structure of the Plasmodium Falciparum SIP2 Dna-Binding AP2 Tandem Repeat in Complex with Two SPE2 Half-Sites (pdb code 6sy0). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 3 binding sites of Arsenic where determined in the Structure of the Plasmodium Falciparum SIP2 Dna-Binding AP2 Tandem Repeat in Complex with Two SPE2 Half-Sites, PDB code: 6sy0:
Jump to Arsenic binding site number: 1; 2; 3;

Arsenic binding site 1 out of 3 in the Structure of the Plasmodium Falciparum SIP2 Dna-Binding AP2 Tandem Repeat in Complex with Two SPE2 Half-Sites


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Structure of the Plasmodium Falciparum SIP2 Dna-Binding AP2 Tandem Repeat in Complex with Two SPE2 Half-Sites within 5.0Å range: probe atom residue distance (Å) B Occ A:As114 b:0.9 occ:1.00 AS A:CAF114 0.0 0.9 1.0 O1 A:CAF114 1.6 0.3 1.0 CE2 A:CAF114 1.9 91.1 1.0 CE1 A:CAF114 1.9 86.5 1.0 SG A:CAF114 2.3 94.4 1.0 CB A:CAF114 3.4 86.6 1.0 NE1 A:TRP97 4.0 82.8 1.0 CD1 A:TRP97 4.2 81.4 1.0 C A:ARG95 4.4 75.8 1.0 N A:GLU96 4.4 77.7 1.0 CG A:ASN119 4.5 95.9 1.0 CA A:ARG95 4.5 77.2 1.0 OD1 A:ASN119 4.5 94.8 1.0 O A:ARG95 4.7 74.6 1.0 CB A:ASN119 4.7 91.2 1.0 CG A:ARG90 4.8 83.2 1.0 CA A:CAF114 4.8 77.8 1.0 ND2 A:ASN119 4.9 93.0 1.0 O A:ASP91 4.9 89.6 1.0 C A:GLU96 4.9 67.5 1.0 CE2 A:TRP97 5.0 85.4 1.0 CA A:ASN119 5.0 89.9 1.0 CA A:GLU96 5.0 82.0 1.0

Arsenic binding site 2 out of 3 in the Structure of the Plasmodium Falciparum SIP2 Dna-Binding AP2 Tandem Repeat in Complex with Two SPE2 Half-Sites


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Structure of the Plasmodium Falciparum SIP2 Dna-Binding AP2 Tandem Repeat in Complex with Two SPE2 Half-Sites within 5.0Å range: probe atom residue distance (Å) B Occ B:As114 b:0.3 occ:1.00 AS B:CAF114 0.0 0.3 1.0 O1 B:CAF114 1.6 0.0 1.0 CE2 B:CAF114 1.9 0.6 1.0 CE1 B:CAF114 1.9 0.3 1.0 SG B:CAF114 2.3 0.5 1.0 CB B:CAF114 3.4 1.0 1.0 C B:ARG95 4.1 97.2 1.0 N B:GLU96 4.2 85.0 1.0 CA B:ARG95 4.2 92.6 1.0 NH2 B:ARG90 4.2 0.3 1.0 NE1 B:TRP97 4.3 97.5 1.0 O B:ARG95 4.4 0.6 1.0 CZ B:ARG90 4.4 0.0 1.0 CD1 B:TRP97 4.5 93.8 1.0 NE B:ARG90 4.5 0.9 1.0 NH2 B:ARG95 4.5 0.7 1.0 O B:ASP91 4.5 0.2 1.0 NH1 B:ARG95 4.6 0.6 1.0 CZ B:ARG95 4.6 0.1 1.0 CB B:ARG95 4.7 92.9 1.0 CA B:CAF114 4.8 99.1 1.0 CA B:GLU96 4.8 89.7 1.0 CG B:ARG90 4.9 91.1 1.0 C B:GLU96 4.9 84.0 1.0 O B:GLU96 5.0 82.4 1.0 OD1 B:ASN119 5.0 0.4 1.0 CB B:ASN119 5.0 0.1 1.0

Arsenic binding site 3 out of 3 in the Structure of the Plasmodium Falciparum SIP2 Dna-Binding AP2 Tandem Repeat in Complex with Two SPE2 Half-Sites


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 3 of Structure of the Plasmodium Falciparum SIP2 Dna-Binding AP2 Tandem Repeat in Complex with Two SPE2 Half-Sites within 5.0Å range: probe atom residue distance (Å) B Occ C:As114 b:0.1 occ:1.00 AS C:CAF114 0.0 0.1 1.0 O1 C:CAF114 1.6 0.2 1.0 CE2 C:CAF114 1.9 0.8 1.0 CE1 C:CAF114 1.9 0.7 1.0 SG C:CAF114 2.3 0.5 1.0 CB C:CAF114 3.5 0.4 1.0 CZ3 C:TRP97 3.9 0.8 1.0 CA C:ARG95 4.2 0.1 1.0 C C:ARG95 4.2 0.2 1.0 CE3 C:TRP97 4.3 0.4 1.0 CH2 C:TRP97 4.3 0.7 1.0 O C:ASN119 4.4 0.5 1.0 ND2 C:ASN119 4.4 0.1 1.0 O C:ARG95 4.5 0.6 1.0 CB C:ASN119 4.6 0.3 1.0 N C:GLU96 4.6 0.3 1.0 CB C:ARG95 4.7 0.2 1.0 OP2 K:DT13 4.7 0.3 1.0 CG C:ASN119 4.8 0.7 1.0 CA C:CAF114 4.9 0.1 1.0 CA C:ASN119 4.9 1.0 1.0

I.Niederwieser, D.Reiter, A.Kantsadi, T.Voss, I.Vakonakis. Structural and Functional Analysis of the Plasmodium Falciparum SIP2 Dna Binding Domain To Be Published.