Chlorine in PDB 8it6: 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: 8it6 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)	30.01 / 2.55
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	82.545, 88.584, 95.68, 90, 90, 90
R / Rfree (%)	19.3 / 26.7

The binding sites of Chlorine atom in the Phosphoglycerate Mutase 1 Complexed with A Compound (pdb code 8it6). 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: 8it6:
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:41.6 occ:1.00 NH2 B:ARG83 3.1 32.1 1.0 NH1 C:ARG83 3.2 32.6 1.0 NE1 B:TRP68 3.4 30.1 1.0 NH1 B:ARG83 3.4 30.7 1.0 NE1 C:TRP68 3.5 29.3 1.0 NH2 C:ARG83 3.5 35.1 1.0 CZ B:ARG83 3.7 32.4 1.0 CZ C:ARG83 3.8 34.7 1.0 CG2 B:VAL81 4.0 33.2 1.0 CG2 C:VAL81 4.2 26.9 1.0 CB B:VAL81 4.2 31.1 1.0 CB C:VAL81 4.2 29.9 1.0 CE2 B:TRP68 4.2 30.1 1.0 CD1 B:TRP68 4.3 31.4 1.0 CD1 C:TRP68 4.3 28.3 1.0 CE2 C:TRP68 4.4 28.5 1.0 CG1 C:VAL81 4.4 31.1 1.0 CZ2 B:TRP68 4.5 28.7 1.0 CG1 B:VAL81 4.6 28.8 1.0 CZ2 C:TRP68 4.6 30.4 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:Cl301 b:57.7 occ:1.00 CL01 C:Q90301 0.0 57.7 1.0 C02 C:Q90301 1.8 52.1 1.0 C37 C:Q90301 2.6 46.7 1.0 H371 C:Q90301 2.7 56.0 1.0 C03 C:Q90301 2.8 54.5 1.0 H031 C:Q90301 3.0 65.4 1.0 O C:HOH421 3.6 42.1 1.0 CD1 C:TYR92 3.7 36.4 1.0 NH1 C:ARG90 3.8 39.9 1.0 CE1 C:TYR92 3.9 36.3 1.0 CG C:PRO123 3.9 40.7 1.0 C36 C:Q90301 3.9 50.8 1.0 CB C:TRP115 3.9 43.3 1.0 CB C:PRO123 3.9 39.6 1.0 C04 C:Q90301 4.1 66.8 1.0 CD1 C:LEU95 4.2 32.5 1.0 CZ C:ARG90 4.2 40.0 1.0 CD C:PRO123 4.3 39.6 1.0 CG C:TRP115 4.4 44.4 1.0 C10 C:Q90301 4.5 54.8 1.0 O C:TRP115 4.6 49.4 1.0 NH2 C:ARG90 4.6 46.5 1.0 H361 C:Q90301 4.7 61.0 1.0 C C:TRP115 4.8 48.1 1.0 NE C:ARG90 4.8 47.3 1.0 CA C:TRP115 4.8 45.6 1.0 N C:PRO123 4.9 43.9 1.0 CD2 C:TRP115 4.9 44.2 1.0 CA C:PRO123 5.0 37.1 1.0 CD C:ARG90 5.0 44.3 1.0

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