Chlorine in PDB 6isn: Phosphoglycerate Mutase 1 Complexed with A Small Molecule Inhibitor

All present enzymatic activity of Phosphoglycerate Mutase 1 Complexed with A Small Molecule Inhibitor:
5.4.2.11; 5.4.2.4;

The structure of Phosphoglycerate Mutase 1 Complexed with A Small Molecule Inhibitor, PDB code: 6isn was solved by L.L.Jiang, L.Zhou, K.Huang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.89 / 1.98
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	82.541, 82.764, 104.204, 90.00, 90.00, 90.00
R / Rfree (%)	19.7 / 22.5

The binding sites of Chlorine atom in the Phosphoglycerate Mutase 1 Complexed with A Small Molecule Inhibitor (pdb code 6isn). 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 Small Molecule Inhibitor, PDB code: 6isn:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Phosphoglycerate Mutase 1 Complexed with A Small Molecule Inhibitor


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 Small Molecule Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:29.2 occ:1.00 NH2 B:ARG83 3.2 26.4 1.0 NH2 C:ARG83 3.3 26.9 1.0 NH1 B:ARG83 3.3 26.7 1.0 NH1 C:ARG83 3.3 28.5 1.0 NE1 C:TRP68 3.3 26.5 1.0 NE1 B:TRP68 3.4 28.6 1.0 CZ B:ARG83 3.7 28.6 1.0 CZ C:ARG83 3.7 31.4 1.0 CG2 C:VAL81 4.0 26.6 1.0 CG2 B:VAL81 4.0 28.2 1.0 CB B:VAL81 4.1 30.0 1.0 CB C:VAL81 4.1 29.0 1.0 CG1 B:VAL81 4.2 28.7 1.0 CD1 C:TRP68 4.2 28.1 1.0 CE2 C:TRP68 4.2 28.5 1.0 CE2 B:TRP68 4.2 27.2 1.0 CD1 B:TRP68 4.3 25.8 1.0 CG1 C:VAL81 4.3 29.8 1.0 CZ2 B:TRP68 4.5 26.7 1.0 CZ2 C:TRP68 4.5 27.1 1.0

Chlorine binding site 2 out of 2 in the Phosphoglycerate Mutase 1 Complexed with A Small Molecule Inhibitor


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 Small Molecule Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl302 b:63.6 occ:1.00 CL C:AW6302 0.0 63.6 1.0 C18 C:AW6302 1.7 57.4 1.0 C19 C:AW6302 2.7 62.2 1.0 C17 C:AW6302 2.7 57.8 1.0 H11 C:AW6302 2.8 74.7 1.0 H10 C:AW6302 2.9 69.3 1.0 O C:ARG21 3.1 39.7 1.0 C C:ARG21 3.2 41.0 1.0 C C:ASN20 3.5 50.1 1.0 N C:PHE22 3.5 34.4 1.0 O C:ASN20 3.6 45.9 1.0 N C:ARG21 3.6 40.4 1.0 CA C:PHE22 3.8 37.8 1.0 CA C:ARG21 3.9 38.9 1.0 C C:AW6302 4.0 64.2 1.0 CA C:ASN20 4.0 53.0 1.0 C16 C:AW6302 4.0 59.3 1.0 O3S C:MES301 4.1 45.5 1.0 C3 C:MES301 4.1 50.7 1.0 CG C:PHE22 4.3 39.9 1.0 C2 C:MES301 4.3 58.5 1.0 CD2 C:PHE22 4.3 42.6 1.0 N4 C:MES301 4.5 49.2 1.0 C15 C:AW6302 4.5 65.1 1.0 CD1 C:PHE22 4.6 40.4 1.0 CE2 C:PHE22 4.6 48.9 1.0 OD1 C:ASN20 4.6 63.7 1.0 CB C:PHE22 4.7 39.9 1.0 H C:AW6302 4.7 77.0 1.0 CB C:ASN20 4.8 56.8 1.0 C7 C:MES301 4.8 50.3 1.0 H09 C:AW6302 4.8 71.1 1.0 CE1 C:PHE22 4.9 43.4 1.0 CZ C:PHE22 4.9 45.1 1.0

L.L.Jiang, L.Zhou, K.Huang. Phosphoglycerate Mutase 1 Complexed with A Small Molecule Inhibitor To Be Published.