Chlorine in PDB 8it8: Phosphoglycerate Mutase 1 Complexed with A Compound

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

The structure of Phosphoglycerate Mutase 1 Complexed with A Compound, PDB code: 8it8 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)	26.67 / 1.95
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	82.377, 85.216, 102.583, 90, 90, 90
R / Rfree (%)	17.6 / 20.9

The binding sites of Chlorine atom in the Phosphoglycerate Mutase 1 Complexed with A Compound (pdb code 8it8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Phosphoglycerate Mutase 1 Complexed with A Compound, PDB code: 8it8:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Phosphoglycerate Mutase 1 Complexed with A Compound


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 Compound within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:27.7 occ:1.00 NH2 B:ARG83 3.2 22.1 1.0 NH2 C:ARG83 3.2 23.1 1.0 NH1 B:ARG83 3.3 25.1 1.0 NH1 C:ARG83 3.3 23.8 1.0 NE1 C:TRP68 3.4 25.5 1.0 NE1 B:TRP68 3.4 24.2 1.0 CZ B:ARG83 3.7 22.0 1.0 CZ C:ARG83 3.7 25.4 1.0 CG2 C:VAL81 4.0 22.6 1.0 CB C:VAL81 4.0 23.6 1.0 CG2 B:VAL81 4.1 25.0 1.0 CB B:VAL81 4.1 21.8 1.0 CD1 C:TRP68 4.2 21.9 1.0 CG1 C:VAL81 4.2 24.6 1.0 CD1 B:TRP68 4.3 22.6 1.0 CE2 C:TRP68 4.3 25.6 1.0 CE2 B:TRP68 4.3 24.5 1.0 CG1 B:VAL81 4.3 23.8 1.0 CZ2 B:TRP68 4.5 24.8 1.0 CZ2 C:TRP68 4.6 25.1 1.0

Chlorine binding site 2 out of 2 in the Phosphoglycerate Mutase 1 Complexed with A Compound


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 Compound within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl302 b:49.3 occ:1.00 CL C:Q9L302 0.0 49.3 1.0 C02 C:Q9L302 1.7 46.0 1.0 C03 C:Q9L302 2.7 44.2 1.0 C01 C:Q9L302 2.7 46.9 1.0 NH2 C:ARG90 3.3 37.0 1.0 O C:HOH423 3.7 37.6 1.0 CZ C:ARG90 3.8 36.4 1.0 CB C:TRP115 3.8 39.4 1.0 C04 C:Q9L302 4.0 45.8 1.0 CD1 C:TYR92 4.0 31.9 1.0 C06 C:Q9L302 4.0 51.3 1.0 NH1 C:ARG90 4.0 33.9 1.0 CE1 C:TYR92 4.1 35.1 1.0 CD1 C:LEU95 4.2 29.8 1.0 CB C:PRO123 4.2 34.4 1.0 O C:TRP115 4.3 41.1 1.0 CG C:PRO123 4.3 36.0 1.0 C05 C:Q9L302 4.5 51.6 1.0 CD C:PRO123 4.5 35.2 1.0 CG C:TRP115 4.5 39.2 1.0 C C:TRP115 4.5 40.2 1.0 NE C:ARG90 4.7 33.7 1.0 CA C:TRP115 4.7 40.6 1.0 N C:PRO123 4.9 36.1 1.0

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