Chlorine in PDB 4iq1: Crystal Structure of Glutathione S-Transferase MHA_0454 (Target Efi- 507015) From Mannheimia Haemolytica, Substrate-Free

All present enzymatic activity of Crystal Structure of Glutathione S-Transferase MHA_0454 (Target Efi- 507015) From Mannheimia Haemolytica, Substrate-Free:
2.5.1.18;

The structure of Crystal Structure of Glutathione S-Transferase MHA_0454 (Target Efi- 507015) From Mannheimia Haemolytica, Substrate-Free, PDB code: 4iq1 was solved by Y.Patskovsky, R.Toro, R.Bhosle, B.Hillerich, R.D.Seidel, E.Washington, A.Scott Glenn, S.Chowdhury, B.Evans, J.Hammonds, W.D.Zencheck, H.J.Imker, N.F.Al Obaidi, M.Stead, J.Love, J.A.Gerlt, R.N.Armstrong, S.C.Almo, Enzymefunction Initiative (Efi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.66 / 1.85
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	66.019, 81.776, 288.652, 90.00, 90.00, 90.00
R / Rfree (%)	17.4 / 24.7

The binding sites of Chlorine atom in the Crystal Structure of Glutathione S-Transferase MHA_0454 (Target Efi- 507015) From Mannheimia Haemolytica, Substrate-Free (pdb code 4iq1). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Glutathione S-Transferase MHA_0454 (Target Efi- 507015) From Mannheimia Haemolytica, Substrate-Free, PDB code: 4iq1:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Glutathione S-Transferase MHA_0454 (Target Efi- 507015) From Mannheimia Haemolytica, Substrate-Free


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Glutathione S-Transferase MHA_0454 (Target Efi- 507015) From Mannheimia Haemolytica, Substrate-Free within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:32.6 occ:1.00 OG1 A:THR64 3.2 24.5 1.0 NE2 A:GLN65 3.2 19.8 1.0 NE B:ARG96 3.4 36.3 1.0 ND2 A:ASN52 3.7 48.4 1.0 O A:HOH415 3.7 44.1 1.0 NH1 B:ARG96 3.9 44.8 1.0 CG A:GLN65 3.9 17.2 1.0 CD1 B:PHE100 4.0 23.3 1.0 CB A:THR64 4.0 23.9 1.0 CG A:ARG50 4.0 44.3 1.0 CD A:GLN65 4.1 18.5 1.0 CZ B:ARG96 4.1 45.0 1.0 CB B:PHE100 4.2 16.9 1.0 CG B:PHE100 4.3 20.9 1.0 CD B:ARG96 4.4 25.9 1.0 CB A:ARG50 4.6 56.4 1.0 CG B:ARG96 4.6 21.8 1.0 CE1 B:PHE100 4.7 24.6 1.0 CG2 A:THR64 4.8 30.2 1.0 CG A:ASN52 4.8 44.3 1.0 N A:GLN65 5.0 19.1 1.0 OD1 A:ASN52 5.0 44.0 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Glutathione S-Transferase MHA_0454 (Target Efi- 507015) From Mannheimia Haemolytica, Substrate-Free


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Glutathione S-Transferase MHA_0454 (Target Efi- 507015) From Mannheimia Haemolytica, Substrate-Free within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:30.8 occ:1.00 OG1 B:THR64 3.2 19.6 1.0 NE A:ARG96 3.3 26.7 1.0 NE2 B:GLN65 3.4 19.7 1.0 ND2 B:ASN52 3.6 32.5 1.0 NH2 A:ARG96 3.6 30.4 1.0 CB B:THR64 3.9 21.5 1.0 CZ A:ARG96 3.9 32.9 1.0 CG B:GLN65 4.0 16.7 1.0 CG B:ARG50 4.0 35.1 1.0 CD1 A:PHE100 4.0 21.6 1.0 CD B:GLN65 4.2 17.6 1.0 CD A:ARG96 4.3 25.5 1.0 CB A:PHE100 4.4 18.9 1.0 CG A:PHE100 4.5 18.4 1.0 CB B:ARG50 4.6 41.9 1.0 CG2 B:THR64 4.6 19.6 1.0 CG B:ASN52 4.6 37.2 1.0 CG A:ARG96 4.6 18.4 1.0 CE1 A:PHE100 4.8 23.9 1.0 OD1 B:ASN52 4.9 47.9 1.0 OD2 A:ASP104 4.9 40.1 1.0 N B:GLN65 4.9 16.6 1.0

Y.Patskovsky, R.Toro, R.Bhosle, B.Hillerich, R.D.Seidel, E.Washington, A.Scott Glenn, S.Chowdhury, B.Evans, J.Hammonds, W.D.Zencheck, H.J.Imker, N.F.Al Obaidi, M.Stead, J.Love, J.A.Gerlt, R.N.Armstrong, S.C.Almo, Enzyme Function Initiative (Efi). Crystal Structure of Probable Glutathione S-Transferase MHA_0454 (Target Efi-507015) From Mannheimia Haemolytica, Substrate-Free To Be Published.