Chlorine in PDB 5hwl: Human Glutathione S-Transferase MU2 Complexed with Bdea, Monoclinic Crystal Form

All present enzymatic activity of Human Glutathione S-Transferase MU2 Complexed with Bdea, Monoclinic Crystal Form:
2.5.1.18;

The structure of Human Glutathione S-Transferase MU2 Complexed with Bdea, Monoclinic Crystal Form, PDB code: 5hwl was solved by X.Zhang, J.Wei, S.Wu, H.P.Zhang, M.Luo, X.L.Yang, F.Liao, D.Q.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.55 / 1.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	50.970, 48.890, 90.990, 90.00, 93.38, 90.00
R / Rfree (%)	17.8 / 20.6

The binding sites of Chlorine atom in the Human Glutathione S-Transferase MU2 Complexed with Bdea, Monoclinic Crystal Form (pdb code 5hwl). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Human Glutathione S-Transferase MU2 Complexed with Bdea, Monoclinic Crystal Form, PDB code: 5hwl:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Human Glutathione S-Transferase MU2 Complexed with Bdea, Monoclinic Crystal Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Glutathione S-Transferase MU2 Complexed with Bdea, Monoclinic Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl302 b:20.0 occ:1.00 CL1 B:NNE302 0.0 20.0 1.0 CAI B:NNE302 1.6 20.0 1.0 CAD B:NNE302 2.5 20.0 1.0 CAH B:NNE302 2.6 20.0 1.0 CAJ B:NNE302 2.9 20.0 1.0 CL2 B:NNE302 3.0 20.0 1.0 CAK B:NNE302 3.3 20.0 1.0 OAA B:NNE302 3.6 20.0 1.0 CAE B:NNE302 3.8 20.0 1.0 CAG B:NNE302 3.9 20.0 1.0 CD B:ARG107 3.9 15.5 1.0 CAL B:NNE302 3.9 20.0 1.0 CD1 B:LEU12 4.0 19.5 1.0 CG B:LEU12 4.1 17.9 1.0 CB B:ALA111 4.1 18.3 1.0 CG B:ARG107 4.1 15.5 1.0 CD2 B:LEU12 4.2 20.4 1.0 CAF B:NNE302 4.3 20.0 1.0 CAN B:NNE302 4.5 20.0 1.0 CAM B:NNE302 4.7 20.0 1.0 CE B:MET108 4.7 27.1 1.0 OAW B:NNE302 5.0 20.0 1.0

Chlorine binding site 2 out of 4 in the Human Glutathione S-Transferase MU2 Complexed with Bdea, Monoclinic Crystal Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Human Glutathione S-Transferase MU2 Complexed with Bdea, Monoclinic Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl302 b:20.0 occ:1.00 CL2 B:NNE302 0.0 20.0 1.0 CAH B:NNE302 1.6 20.0 1.0 CAG B:NNE302 2.5 20.0 1.0 CAI B:NNE302 2.6 20.0 1.0 OAW B:NNE302 2.8 20.0 1.0 CL1 B:NNE302 3.0 20.0 1.0 CE B:MET108 3.3 27.1 1.0 O B:HOH470 3.4 19.5 1.0 SD B:MET104 3.5 13.9 1.0 CAD B:NNE302 3.8 20.0 1.0 CAF B:NNE302 3.8 20.0 1.0 CD B:ARG107 4.2 15.5 1.0 CAT B:NNE302 4.2 20.0 1.0 CAE B:NNE302 4.2 20.0 1.0 CD1 B:LEU12 4.4 19.5 1.0 CD2 B:LEU12 4.4 20.4 1.0 NAV B:NNE302 4.5 20.0 1.0 CE B:MET104 4.5 16.4 1.0 CB B:MET108 4.7 14.4 1.0 CG B:MET104 4.7 13.4 1.0 CG B:ARG107 4.8 15.5 1.0 CG B:LEU12 4.9 17.9 1.0 CAU B:NNE302 4.9 20.0 1.0 SD B:MET108 4.9 34.1 1.0 CAJ B:NNE302 5.0 20.0 1.0

Chlorine binding site 3 out of 4 in the Human Glutathione S-Transferase MU2 Complexed with Bdea, Monoclinic Crystal Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Human Glutathione S-Transferase MU2 Complexed with Bdea, Monoclinic Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl302 b:20.0 occ:1.00 CL3 B:NNE302 0.0 20.0 1.0 CBD B:NNE302 1.7 20.0 1.0 CBE B:NNE302 2.6 20.0 1.0 CBC B:NNE302 2.7 20.0 1.0 OBH B:NNE302 2.8 20.0 1.0 CL4 B:NNE302 3.1 20.0 1.0 SD A:MET104 3.5 12.8 1.0 O A:HOH478 3.5 14.7 1.0 CE A:MET108 3.7 27.3 1.0 CBF B:NNE302 3.9 20.0 1.0 CBB B:NNE302 4.0 20.0 1.0 CD A:ARG107 4.2 13.0 1.0 CAO B:NNE302 4.2 20.0 1.0 CBG B:NNE302 4.4 20.0 1.0 NAQ B:NNE302 4.5 20.0 1.0 CD2 A:LEU12 4.5 15.4 1.0 CE A:MET104 4.6 10.3 1.0 CG A:MET104 4.6 12.4 1.0 CG A:ARG107 4.7 15.3 1.0 CB A:MET108 4.7 14.6 1.0 CAY B:NNE302 4.7 20.0 1.0 SD A:MET108 4.8 32.8 1.0 CD1 A:LEU12 4.8 17.7 1.0 CAP B:NNE302 4.8 20.0 1.0 CA A:MET108 5.0 11.7 1.0

Chlorine binding site 4 out of 4 in the Human Glutathione S-Transferase MU2 Complexed with Bdea, Monoclinic Crystal Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Human Glutathione S-Transferase MU2 Complexed with Bdea, Monoclinic Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl302 b:20.0 occ:1.00 CL4 B:NNE302 0.0 20.0 1.0 CBC B:NNE302 1.7 20.0 1.0 CBB B:NNE302 2.6 20.0 1.0 CBD B:NNE302 2.6 20.0 1.0 CBI B:NNE302 2.9 20.0 1.0 CL3 B:NNE302 3.1 20.0 1.0 O A:HOH508 3.2 8.6 1.0 CBJ B:NNE302 3.2 20.0 1.0 OBL B:NNE302 3.7 20.0 1.0 CBK B:NNE302 3.8 20.0 1.0 CD A:ARG107 3.9 13.0 1.0 CBG B:NNE302 3.9 20.0 1.0 CBE B:NNE302 3.9 20.0 1.0 CG A:ARG107 4.1 15.3 1.0 CG A:LEU12 4.1 15.5 1.0 CD2 A:LEU12 4.2 15.4 1.0 CB A:ALA111 4.4 16.2 1.0 CBF B:NNE302 4.4 20.0 1.0 CD1 A:LEU12 4.5 17.7 1.0 CBM B:NNE302 4.6 20.0 1.0 CBN B:NNE302 4.7 20.0 1.0 O A:HOH494 4.9 16.7 1.0 OBH B:NNE302 5.0 20.0 1.0

X.Zhang, J.Wei, S.Wu, H.P.Zhang, M.Luo, X.L.Yang, F.Liao, D.Q.Wang. Human Glutathione S-Transferase MU2 Complexed with Bdea, Monoclinic Crystal Form To Be Published.