Chlorine in PDB 8it5: 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: 8it5 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)	26.89 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	82.377, 85.362, 102.577, 90, 90, 90
R / Rfree (%)	18.9 / 22.9

The binding sites of Chlorine atom in the Phosphoglycerate Mutase 1 Complexed with A Compound (pdb code 8it5). 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: 8it5:
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:41.8 occ:1.00 NH1 C:ARG83 3.2 37.2 1.0 NH2 B:ARG83 3.2 37.3 1.0 NH2 C:ARG83 3.3 37.9 1.0 NH1 B:ARG83 3.3 36.4 1.0 NE1 B:TRP68 3.4 41.2 1.0 NE1 C:TRP68 3.4 39.0 1.0 CZ C:ARG83 3.7 40.5 1.0 CZ B:ARG83 3.7 39.9 1.0 CG2 B:VAL81 4.0 40.1 1.0 CB B:VAL81 4.1 37.2 1.0 CG2 C:VAL81 4.1 36.6 1.0 CB C:VAL81 4.1 39.4 1.0 CE2 C:TRP68 4.2 37.4 1.0 CE2 B:TRP68 4.3 36.4 1.0 CD1 B:TRP68 4.3 33.2 1.0 CD1 C:TRP68 4.3 36.4 1.0 CG1 B:VAL81 4.3 40.4 1.0 CG1 C:VAL81 4.3 33.5 1.0 CZ2 C:TRP68 4.5 37.3 1.0 CZ2 B:TRP68 4.5 37.8 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:62.6 occ:1.00 CL01 C:QAI302 0.0 62.6 1.0 C02 C:QAI302 1.8 54.6 1.0 C03 C:QAI302 2.7 56.5 1.0 C31 C:QAI302 2.7 55.3 1.0 NH2 C:ARG90 3.2 45.0 1.0 CZ C:ARG90 3.7 50.6 1.0 CD1 C:TYR92 3.9 46.6 1.0 CB C:PRO123 3.9 52.7 1.0 CD C:PRO123 3.9 47.5 1.0 CG C:PRO123 3.9 50.7 1.0 NH1 C:ARG90 3.9 46.2 1.0 C04 C:QAI302 4.0 52.9 1.0 CB C:TRP115 4.0 51.2 1.0 C30 C:QAI302 4.0 55.9 1.0 CE1 C:TYR92 4.1 46.4 1.0 CD1 C:LEU95 4.2 43.5 1.0 C05 C:QAI302 4.5 57.6 1.0 CG C:TRP115 4.5 51.1 1.0 O C:TRP115 4.5 55.9 1.0 NE C:ARG90 4.5 49.1 1.0 N C:PRO123 4.6 51.2 1.0 CA C:PRO123 4.7 47.7 1.0 C C:TRP115 4.8 52.3 1.0 CA C:TRP115 4.9 54.1 1.0

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