Chlorine in PDB 8itd: 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: 8itd 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)	26.21 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	82.544, 85.99, 101.383, 90, 90, 90
R / Rfree (%)	17.4 / 19.7

The binding sites of Chlorine atom in the Phosphoglycerate Mutase 1 Complexed with A Compound (pdb code 8itd). 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: 8itd:
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:23.7 occ:1.00 NH2 B:ARG83 3.3 20.4 1.0 NH1 C:ARG83 3.3 20.9 1.0 NH1 B:ARG83 3.3 21.9 1.0 NH2 C:ARG83 3.3 20.9 1.0 NE1 C:TRP68 3.4 23.1 1.0 NE1 B:TRP68 3.4 20.3 1.0 CZ B:ARG83 3.7 23.8 1.0 CZ C:ARG83 3.8 23.9 1.0 CG2 C:VAL81 4.0 21.0 1.0 CB C:VAL81 4.0 23.2 1.0 CG2 B:VAL81 4.1 22.6 1.0 CB B:VAL81 4.1 20.2 1.0 CD1 C:TRP68 4.2 22.1 1.0 CD1 B:TRP68 4.2 22.4 1.0 CE2 C:TRP68 4.3 22.4 1.0 CE2 B:TRP68 4.3 22.1 1.0 CG1 C:VAL81 4.3 24.1 1.0 CG1 B:VAL81 4.3 22.6 1.0 CZ2 B:TRP68 4.5 24.8 1.0 CZ2 C:TRP68 4.5 23.1 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:45.5 occ:1.00 CL C:QA3302 0.0 45.5 1.0 C01 C:QA3302 1.7 39.0 1.0 C06 C:QA3302 2.7 38.4 1.0 C02 C:QA3302 2.7 39.5 1.0 NH2 C:ARG90 3.5 32.5 1.0 O C:HOH427 3.7 34.2 1.0 CZ C:ARG90 3.9 31.0 1.0 CB C:TRP115 3.9 33.2 1.0 NH1 C:ARG90 3.9 27.6 1.0 CD1 C:TYR92 4.0 28.0 1.0 CE1 C:TYR92 4.0 30.7 1.0 C05 C:QA3302 4.0 43.6 1.0 C03 C:QA3302 4.0 46.0 1.0 O C:TRP115 4.2 34.0 1.0 O C:HOH518 4.3 41.5 1.0 CD1 C:LEU95 4.4 28.5 1.0 C C:TRP115 4.5 34.8 1.0 C04 C:QA3302 4.5 43.8 1.0 CB C:PRO123 4.5 28.6 1.0 CG C:TRP115 4.6 33.6 1.0 CG C:PRO123 4.6 30.8 1.0 CD C:PRO123 4.7 29.3 1.0 CA C:TRP115 4.7 34.5 1.0 NE C:ARG90 4.7 28.8 1.0

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