Chlorine in PDB 5upr: X-Ray Structure of A Putative Triosephosphate Isomerase From Toxoplasma Gondii ME49

All present enzymatic activity of X-Ray Structure of A Putative Triosephosphate Isomerase From Toxoplasma Gondii ME49:
5.3.1.1;

The structure of X-Ray Structure of A Putative Triosephosphate Isomerase From Toxoplasma Gondii ME49, PDB code: 5upr was solved by E.V.Filippova, Z.Wawrzak, G.Minasov, A.Cardona-Correa, B.Bishop, W.F.Anderson, H.Ngo, Center For Structural Genomics Of Infectiousdiseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	56.368, 115.533, 78.719, 90.00, 90.02, 90.00
R / Rfree (%)	16.6 / 20.8

The binding sites of Chlorine atom in the X-Ray Structure of A Putative Triosephosphate Isomerase From Toxoplasma Gondii ME49 (pdb code 5upr). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the X-Ray Structure of A Putative Triosephosphate Isomerase From Toxoplasma Gondii ME49, PDB code: 5upr:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the X-Ray Structure of A Putative Triosephosphate Isomerase From Toxoplasma Gondii ME49


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of A Putative Triosephosphate Isomerase From Toxoplasma Gondii ME49 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:27.5 occ:1.00 O A:HOH591 2.9 30.2 1.0 OE1 A:GLU289 3.0 24.5 1.0 NE2 A:HIS212 3.3 18.0 1.0 OE2 A:GLU289 3.5 26.4 1.0 ND2 A:ASN125 3.6 18.9 1.0 CD A:GLU289 3.7 25.9 1.0 CE A:LYS127 3.7 21.3 1.0 CB A:ASN125 3.8 19.6 1.0 CD2 A:HIS212 3.9 19.6 1.0 CG A:LEU354 3.9 20.6 1.0 CA A:GLY356 4.0 23.6 1.0 CD2 A:LEU354 4.1 20.6 1.0 N A:GLY356 4.1 22.1 1.0 NZ A:LYS127 4.2 21.4 1.0 CG A:ASN125 4.2 19.2 1.0 C A:VAL355 4.3 21.7 1.0 O A:VAL355 4.4 21.9 1.0 CE1 A:HIS212 4.4 18.6 1.0 O A:LEU354 4.6 22.5 1.0 O3 A:SO4401 4.6 35.8 1.0 C A:LEU354 4.7 21.2 1.0 CD1 A:LEU354 4.8 20.7 1.0 CB A:LEU354 4.9 20.2 1.0 N A:VAL355 4.9 21.7 1.0

Chlorine binding site 2 out of 4 in the X-Ray Structure of A Putative Triosephosphate Isomerase From Toxoplasma Gondii ME49


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Structure of A Putative Triosephosphate Isomerase From Toxoplasma Gondii ME49 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl402 b:29.1 occ:1.00 O B:HOH565 2.9 32.3 1.0 OE2 B:GLU289 3.0 25.2 1.0 NE2 B:HIS212 3.2 21.0 1.0 ND2 B:ASN125 3.4 20.2 1.0 OE1 B:GLU289 3.5 28.9 1.0 CD B:GLU289 3.7 27.8 1.0 CB B:ASN125 3.7 21.4 1.0 CE B:LYS127 3.8 22.9 1.0 CD2 B:HIS212 3.8 20.7 1.0 CG B:LEU354 3.9 21.7 1.0 CG B:ASN125 4.1 20.4 1.0 CD2 B:LEU354 4.1 20.8 1.0 CA B:GLY356 4.1 24.5 1.0 N B:GLY356 4.2 23.9 1.0 CE1 B:HIS212 4.3 21.1 1.0 C B:VAL355 4.4 23.9 1.0 O B:VAL355 4.4 24.0 1.0 NZ B:LYS127 4.4 23.5 1.0 O4 B:SO4401 4.5 41.8 1.0 CD1 B:LEU354 4.6 21.6 1.0 O B:LEU354 4.7 23.0 1.0 C B:LEU354 4.8 22.9 1.0 CB B:LEU354 4.9 22.4 1.0 N B:VAL355 5.0 21.9 1.0

Chlorine binding site 3 out of 4 in the X-Ray Structure of A Putative Triosephosphate Isomerase From Toxoplasma Gondii ME49


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of X-Ray Structure of A Putative Triosephosphate Isomerase From Toxoplasma Gondii ME49 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl402 b:27.0 occ:1.00 O C:HOH605 2.9 27.6 1.0 OE2 C:GLU289 3.0 24.6 1.0 NE2 C:HIS212 3.3 23.9 1.0 ND2 C:ASN125 3.4 21.7 1.0 OE1 C:GLU289 3.6 25.4 1.0 CD C:GLU289 3.7 23.9 1.0 CB C:ASN125 3.8 21.6 1.0 CE C:LYS127 3.8 22.3 1.0 CD2 C:HIS212 3.9 23.4 1.0 CG C:LEU354 3.9 22.5 1.0 CD2 C:LEU354 4.0 22.6 1.0 CG C:ASN125 4.1 21.4 1.0 CA C:GLY356 4.1 23.1 1.0 N C:GLY356 4.2 22.1 1.0 NZ C:LYS127 4.4 22.5 1.0 CE1 C:HIS212 4.4 23.9 1.0 C C:VAL355 4.4 22.6 1.0 O C:VAL355 4.4 23.0 1.0 O C:LEU354 4.6 24.6 1.0 O2 C:SO4401 4.7 34.2 1.0 CD1 C:LEU354 4.7 22.6 1.0 C C:LEU354 4.8 23.0 1.0 CB C:LEU354 4.8 21.6 1.0 N C:VAL355 5.0 23.2 1.0

Chlorine binding site 4 out of 4 in the X-Ray Structure of A Putative Triosephosphate Isomerase From Toxoplasma Gondii ME49


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of X-Ray Structure of A Putative Triosephosphate Isomerase From Toxoplasma Gondii ME49 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl402 b:26.8 occ:1.00 OE2 D:GLU289 2.9 23.1 1.0 O D:HOH588 3.2 26.4 1.0 NE2 D:HIS212 3.3 19.1 1.0 ND2 D:ASN125 3.5 16.2 1.0 OE1 D:GLU289 3.5 23.9 1.0 CD D:GLU289 3.6 24.9 1.0 CE D:LYS127 3.7 22.8 1.0 CG D:LEU354 3.8 20.8 1.0 CB D:ASN125 3.8 17.7 1.0 CD2 D:HIS212 3.9 19.4 1.0 CD2 D:LEU354 4.0 19.7 1.0 CA D:GLY356 4.1 21.8 1.0 CG D:ASN125 4.1 16.8 1.0 N D:GLY356 4.2 21.4 1.0 NZ D:LYS127 4.3 23.5 1.0 C D:VAL355 4.3 21.0 1.0 O D:VAL355 4.3 23.6 1.0 CE1 D:HIS212 4.4 19.6 1.0 O D:LEU354 4.5 22.7 1.0 C D:LEU354 4.7 21.8 1.0 O3 D:SO4401 4.7 30.9 1.0 CD1 D:LEU354 4.7 21.7 1.0 CB D:LEU354 4.8 20.9 1.0 N D:VAL355 4.9 21.7 1.0

E.V.Filippova, Z.Wawrzak, G.Minasov, A.Cardona-Correa, B.Bishop, W.F.Anderson, H.Ngo, Center For Structural Genomics Of Infectious Diseases(Csgid). X-Ray Structure of A Putative Triosephosphate Isomerase From Toxoplasma Gondii ME49 To Be Published.