Chlorine in PDB 8itb: 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: 8itb 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)	37.50 / 2.38
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	81.956, 89.336, 93.048, 90, 90, 90
R / Rfree (%)	19.1 / 24.3

The structure of Phosphoglycerate Mutase 1 Complexed with A Compound also contains other interesting chemical elements:

Fluorine

(F)

2 atoms

The binding sites of Chlorine atom in the Phosphoglycerate Mutase 1 Complexed with A Compound (pdb code 8itb). 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: 8itb:
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:39.2 occ:1.00 NH1 C:ARG83 3.3 36.9 1.0 NH2 C:ARG83 3.3 33.6 1.0 NH1 B:ARG83 3.3 33.6 1.0 NH2 B:ARG83 3.4 32.8 1.0 NE1 B:TRP68 3.4 33.0 1.0 NE1 C:TRP68 3.5 36.5 1.0 CZ C:ARG83 3.8 40.1 1.0 CZ B:ARG83 3.8 37.0 1.0 CG2 B:VAL81 4.0 37.4 1.0 CB B:VAL81 4.1 40.7 1.0 CB C:VAL81 4.1 38.4 1.0 CG2 C:VAL81 4.1 31.1 1.0 CE2 B:TRP68 4.3 32.8 1.0 CD1 C:TRP68 4.3 33.4 1.0 CD1 B:TRP68 4.3 33.9 1.0 CG1 C:VAL81 4.3 33.4 1.0 CG1 B:VAL81 4.4 34.3 1.0 CE2 C:TRP68 4.4 33.2 1.0 CZ2 B:TRP68 4.5 31.6 1.0 CZ2 C:TRP68 4.7 33.2 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:70.0 occ:1.00 CL C:Q9R302 0.0 70.0 1.0 C01 C:Q9R302 1.7 61.2 1.0 C02 C:Q9R302 2.7 59.7 1.0 C06 C:Q9R302 2.7 64.0 1.0 H03 C:Q9R302 2.8 76.9 1.0 F C:Q9R302 2.9 63.1 1.0 CZ C:PHE22 3.7 57.7 1.0 CD1 C:LEU95 3.7 50.5 1.0 CE3 C:TRP115 4.0 50.7 1.0 CG1 C:VAL112 4.0 50.0 1.0 C03 C:Q9R302 4.0 53.2 1.0 C05 C:Q9R302 4.0 67.5 1.0 CB C:TRP115 4.3 51.2 1.0 CG2 C:THR103 4.4 44.2 1.0 CE2 C:PHE22 4.4 56.9 1.0 CG2 C:VAL112 4.4 48.3 1.0 CE1 C:PHE22 4.5 59.8 1.0 C04 C:Q9R302 4.5 61.8 1.0 H07 C:Q9R302 4.5 89.0 1.0 CB C:VAL112 4.6 49.6 1.0 O C:VAL112 4.7 50.6 1.0 CA C:VAL112 4.7 51.8 1.0 H01 C:Q9R302 4.8 63.9 1.0 CD2 C:TRP115 4.8 50.0 1.0 CZ3 C:TRP115 4.8 47.0 1.0 H05 C:Q9R302 4.8 93.8 1.0 H08 C:Q9R302 4.9 90.1 1.0 H13 C:Q9R303 5.0 63.4 1.0 CG C:TRP115 5.0 51.7 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:55.6 occ:1.00 CL C:Q9R303 0.0 55.6 1.0 C01 C:Q9R303 1.7 50.5 1.0 C02 C:Q9R303 2.7 47.1 1.0 C06 C:Q9R303 2.7 47.8 1.0 H03 C:Q9R303 2.9 57.5 1.0 F C:Q9R303 2.9 46.3 1.0 H11 C:Q9R303 3.0 62.2 1.0 CA C:GLU109 3.2 47.7 1.0 CB C:GLU109 3.5 45.3 1.0 N C:GLU109 3.5 44.5 1.0 CB C:ALA104 3.7 35.5 1.0 H09 C:Q9R303 3.8 76.1 1.0 CG C:GLU109 3.8 53.3 1.0 C C:GLY108 3.9 42.9 1.0 C20 C:Q9R303 3.9 51.8 1.0 C03 C:Q9R303 4.0 44.3 1.0 C05 C:Q9R303 4.0 48.6 1.0 O C:GLY108 4.1 44.1 1.0 CA C:ALA104 4.2 42.5 1.0 H12 C:Q9R303 4.3 57.9 1.0 C17 C:Q9R303 4.3 63.4 1.0 C C:GLU109 4.5 51.9 1.0 C04 C:Q9R303 4.5 48.5 1.0 CB C:VAL112 4.5 49.6 1.0 C21 C:Q9R303 4.6 48.2 1.0 CG2 C:VAL112 4.6 48.3 1.0 O C:GLU109 4.7 51.6 1.0 H01 C:Q9R303 4.7 53.3 1.0 CG1 C:VAL112 4.8 50.0 1.0 CA C:GLY108 4.8 40.7 1.0 H05 C:Q9R303 4.9 76.5 1.0 H10 C:Q9R303 4.9 75.3 1.0 C16 C:Q9R303 4.9 62.8 1.0 C19 C:Q9R303 4.9 57.3 1.0 C18 C:Q9R303 4.9 62.7 1.0 O C:ALA104 5.0 35.7 1.0

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