Chlorine in PDB 8itc: 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: 8itc 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)	26.70 / 1.88
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	82.388, 83.902, 103.828, 90, 90, 90
R / Rfree (%)	19.3 / 22

The binding sites of Chlorine atom in the Phosphoglycerate Mutase 1 Complexed with A Compound (pdb code 8itc). 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 Compound, PDB code: 8itc:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 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:44.9 occ:1.00 NH1 B:ARG83 3.2 29.3 1.0 NH2 B:ARG83 3.2 28.7 1.0 NH2 C:ARG83 3.3 30.5 1.0 NH1 C:ARG83 3.3 30.1 1.0 NE1 C:TRP68 3.4 31.1 1.0 NE1 B:TRP68 3.4 28.2 1.0 CZ B:ARG83 3.6 31.6 1.0 CZ C:ARG83 3.8 30.9 1.0 CG2 C:VAL81 4.0 28.0 1.0 CG2 B:VAL81 4.0 30.2 1.0 CB C:VAL81 4.0 29.8 1.0 CB B:VAL81 4.1 30.5 1.0 CD1 C:TRP68 4.2 29.9 1.0 CE2 C:TRP68 4.3 30.4 1.0 CE2 B:TRP68 4.3 28.1 1.0 CD1 B:TRP68 4.3 27.8 1.0 CG1 B:VAL81 4.4 30.9 1.0 CG1 C:VAL81 4.4 30.2 1.0 CZ2 B:TRP68 4.6 27.5 1.0 CZ2 C:TRP68 4.6 29.9 1.0 NE B:ARG83 5.0 31.2 1.0

Chlorine binding site 2 out of 3 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:39.4 occ:1.00 CL01 C:QA0302 0.0 39.4 1.0 C02 C:QA0302 1.8 38.9 1.0 C03 C:QA0302 2.7 34.8 1.0 C35 C:QA0302 2.7 42.9 1.0 H031 C:QA0302 2.8 41.8 1.0 H351 C:QA0302 2.9 51.5 1.0 CB C:ALA104 3.8 29.7 1.0 C04 C:QA0302 4.0 39.7 1.0 C34 C:QA0302 4.0 44.7 1.0 N C:GLU109 4.2 32.0 1.0 O C:ALA104 4.2 31.3 1.0 CB C:GLU109 4.4 36.7 1.0 C05 C:QA0302 4.5 42.7 1.0 C C:ALA104 4.5 30.1 1.0 CA C:GLU109 4.5 35.0 1.0 CA C:ALA104 4.6 31.5 1.0 C C:GLY108 4.8 34.5 1.0 H041 C:QA0302 4.8 47.7 1.0 H341 C:QA0302 4.9 53.7 1.0

Chlorine binding site 3 out of 3 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 3 of Phosphoglycerate Mutase 1 Complexed with A Compound within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl303 b:42.1 occ:1.00 CL01 C:QA0303 0.0 42.1 1.0 C02 C:QA0303 1.8 37.4 1.0 C03 C:QA0303 2.7 39.2 1.0 C35 C:QA0303 2.7 37.8 1.0 H031 C:QA0303 2.8 47.1 1.0 H351 C:QA0303 2.9 45.4 1.0 NH2 C:ARG90 3.6 34.9 1.0 O C:HOH427 3.7 39.3 1.0 CB C:TRP115 3.7 35.9 1.0 CD1 C:LEU95 4.0 31.2 1.0 C04 C:QA0303 4.0 39.7 1.0 C34 C:QA0303 4.0 37.6 1.0 CZ C:ARG90 4.0 38.2 1.0 CB C:PRO123 4.1 36.8 1.0 CG C:PRO123 4.1 36.6 1.0 CD1 C:TYR92 4.2 35.2 1.0 NH1 C:ARG90 4.3 32.8 1.0 O C:TRP115 4.3 41.4 1.0 CG C:TRP115 4.3 37.7 1.0 CD C:PRO123 4.3 35.5 1.0 CE1 C:TYR92 4.5 29.9 1.0 C C:TRP115 4.5 37.2 1.0 C05 C:QA0303 4.5 43.1 1.0 CA C:TRP115 4.6 36.0 1.0 N C:PRO123 4.8 38.2 1.0 NE C:ARG90 4.8 35.5 1.0 H041 C:QA0303 4.8 47.7 1.0 CD2 C:TRP115 4.9 35.2 1.0 H341 C:QA0303 4.9 45.2 1.0 CA C:PRO123 4.9 36.2 1.0

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