Chlorine in PDB 7oyl: Phosphoglucose Isomerase of Aspergillus Fumigatus in Complexed with Glucose-6-Phosphate

All present enzymatic activity of Phosphoglucose Isomerase of Aspergillus Fumigatus in Complexed with Glucose-6-Phosphate:
5.3.1.9;

The structure of Phosphoglucose Isomerase of Aspergillus Fumigatus in Complexed with Glucose-6-Phosphate, PDB code: 7oyl was solved by O.G.Raimi, K.Yan, W.Fang, D.M.F.Van Aalten, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.66 / 1.78
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	85.251, 85.251, 232.503, 90, 90, 90
R / Rfree (%)	15.4 / 18

The structure of Phosphoglucose Isomerase of Aspergillus Fumigatus in Complexed with Glucose-6-Phosphate also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Phosphoglucose Isomerase of Aspergillus Fumigatus in Complexed with Glucose-6-Phosphate (pdb code 7oyl). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Phosphoglucose Isomerase of Aspergillus Fumigatus in Complexed with Glucose-6-Phosphate, PDB code: 7oyl:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Phosphoglucose Isomerase of Aspergillus Fumigatus in Complexed with Glucose-6-Phosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Phosphoglucose Isomerase of Aspergillus Fumigatus in Complexed with Glucose-6-Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:49.7 occ:1.00 O A:HOH858 3.1 33.1 1.0 N A:GLU67 3.4 26.9 1.0 CA A:THR66 3.6 29.6 1.0 CB A:THR66 3.8 30.2 1.0 C A:THR66 4.0 28.8 1.0 CG A:GLU67 4.0 42.7 1.0 O A:HOH1051 4.2 38.8 1.0 CZ A:PHE43 4.4 29.9 1.0 NH1 A:ARG39 4.4 24.3 1.0 CE2 A:PHE43 4.4 28.3 1.0 CG2 A:THR66 4.4 32.4 1.0 OD2 A:ASP36 4.4 35.8 1.0 CB A:GLU67 4.4 33.7 1.0 CA A:GLU67 4.5 29.8 1.0 CE A:LYS42 4.6 50.5 1.0 CD2 A:TYR32 4.6 36.1 1.0 CD A:LYS42 4.6 43.4 1.0 CE2 A:TYR32 4.7 35.4 1.0 CD A:GLU67 4.7 52.2 1.0 OE2 A:GLU67 4.7 57.2 1.0 OG1 A:THR66 4.9 28.8 1.0 O A:LEU65 5.0 25.8 1.0 N A:THR66 5.0 30.3 1.0

Chlorine binding site 2 out of 2 in the Phosphoglucose Isomerase of Aspergillus Fumigatus in Complexed with Glucose-6-Phosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Phosphoglucose Isomerase of Aspergillus Fumigatus in Complexed with Glucose-6-Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl602 b:77.3 occ:1.00 O A:HOH1025 3.1 42.9 1.0 O A:HOH1131 3.1 27.4 1.0 OE1 A:GLU387 3.4 25.2 1.0 ND2 A:ASN391 3.4 23.8 0.5 CB A:ASN391 3.7 24.4 0.5 CB A:ASN391 3.8 24.6 0.5 CD A:GLU387 3.9 26.8 1.0 CG A:ASN391 4.0 24.6 0.5 CG A:ASN391 4.3 24.0 0.5 CG A:GLU387 4.3 22.9 1.0 ND2 A:ASN391 4.4 22.8 0.5 CB A:GLU387 4.4 20.7 1.0 CG A:PRO388 4.4 22.8 1.0 CD A:PRO388 4.5 22.9 1.0 O A:HOH933 4.5 27.6 1.0 OE2 A:GLU387 4.7 26.7 1.0

Y.Zhou, K.Yan, O.G.Raimi, Q.Qin, B.Wang, C.S.Ahamefule, C.Jin, D.M.F.Van Aalten, W.Fang. Pleiotropic Function and Antifungal Target Potential of Phosphoglucose Isomerase in Aspergillus Fumigatus To Be Published.