Chlorine in PDB 8it4: Phosphoglycerate Mutase 1 Complexed with A Covalent Inhibitor

All present enzymatic activity of Phosphoglycerate Mutase 1 Complexed with A Covalent Inhibitor:
5.4.2.11; 5.4.2.4;

The structure of Phosphoglycerate Mutase 1 Complexed with A Covalent Inhibitor, PDB code: 8it4 was solved by L.Zhou, L.L.Jiang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.03 / 2.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	45.859, 70.687, 167.532, 90, 90, 90
R / Rfree (%)	17.9 / 23

The binding sites of Chlorine atom in the Phosphoglycerate Mutase 1 Complexed with A Covalent Inhibitor (pdb code 8it4). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Phosphoglycerate Mutase 1 Complexed with A Covalent Inhibitor, PDB code: 8it4:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Phosphoglycerate Mutase 1 Complexed with A Covalent Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Phosphoglycerate Mutase 1 Complexed with A Covalent Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:26.3 occ:1.00 NH2 A:ARG83 3.2 22.2 1.0 NH1 B:ARG175 3.2 20.6 1.0 NE1 B:TRP160 3.3 22.6 1.0 NH2 B:ARG175 3.3 21.4 1.0 NH1 A:ARG83 3.3 17.2 1.0 NE1 A:TRP68 3.3 20.7 1.0 CZ A:ARG83 3.7 23.7 1.0 CZ B:ARG175 3.7 29.2 1.0 CG2 B:VAL173 3.9 21.2 1.0 CB B:VAL173 4.0 19.7 1.0 CB A:VAL81 4.0 24.0 1.0 CG2 A:VAL81 4.0 19.5 1.0 CE2 B:TRP160 4.2 21.8 1.0 CD1 B:TRP160 4.2 23.6 1.0 CG1 A:VAL81 4.2 17.4 1.0 CG1 B:VAL173 4.2 16.2 1.0 CE2 A:TRP68 4.2 25.9 1.0 CD1 A:TRP68 4.2 20.1 1.0 CZ2 B:TRP160 4.4 19.9 1.0 CZ2 A:TRP68 4.5 19.1 1.0

Chlorine binding site 2 out of 3 in the Phosphoglycerate Mutase 1 Complexed with A Covalent Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Phosphoglycerate Mutase 1 Complexed with A Covalent Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:64.4 occ:1.00 CL3 A:SKU302 0.0 64.4 1.0 C33 A:SKU302 1.8 56.3 1.0 C32 A:SKU302 2.7 54.2 1.0 C35 A:SKU302 2.8 54.8 1.0 O A:LYS100 3.7 38.4 1.0 CB A:LYS100 3.9 41.2 1.0 CB A:ALA104 4.0 34.4 1.0 C31 A:SKU302 4.0 49.2 1.0 C36 A:SKU302 4.1 54.6 1.0 C A:LYS100 4.1 43.1 1.0 CA A:LYS100 4.5 43.9 1.0 C30 A:SKU302 4.5 53.5 1.0 CG A:LYS100 4.7 48.8 1.0 N A:ALA101 4.8 39.9 1.0

Chlorine binding site 3 out of 3 in the Phosphoglycerate Mutase 1 Complexed with A Covalent Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Phosphoglycerate Mutase 1 Complexed with A Covalent Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:64.0 occ:1.00 CL3 B:SKU401 0.0 64.0 1.0 C33 B:SKU401 1.8 55.7 1.0 C32 B:SKU401 2.7 52.9 1.0 C35 B:SKU401 2.8 56.3 1.0 CG B:LYS192 3.9 55.2 1.0 O B:LYS192 3.9 47.4 1.0 C31 B:SKU401 4.0 53.2 1.0 C36 B:SKU401 4.0 50.7 1.0 CB B:LYS192 4.1 45.7 1.0 CB B:ALA196 4.2 35.4 1.0 C B:LYS192 4.3 44.0 1.0 C30 B:SKU401 4.5 51.1 1.0 CA B:LYS192 4.7 44.9 1.0 N B:ALA193 5.0 40.9 1.0

L.Zhou, L.L.Jiang. Phosphoglycerate Mutase 1 Complexed with A Covalent Inhibitor To Be Published.