Chlorine in PDB 3ugv: Crystal Structure of An Enolase From Alpha Pretobacterium BAL199 (Efi Target Efi-501650) with Bound Mg

The structure of Crystal Structure of An Enolase From Alpha Pretobacterium BAL199 (Efi Target Efi-501650) with Bound Mg, PDB code: 3ugv was solved by M.W.Vetting, R.Toro, R.Bhosle, S.R.Wasserman, L.L.Morisco, B.Hillerich, E.Washington, A.Scott Glenn, S.Chowdhury, B.Evans, J.Hammonds, W.D.Zencheck, H.J.Imker, J.A.Gerlt, S.C.Almo, Enzyme Function Initiative(Efi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	114.64 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	152.711, 152.984, 173.535, 90.00, 90.00, 90.00
R / Rfree (%)	16.1 / 20.8

The structure of Crystal Structure of An Enolase From Alpha Pretobacterium BAL199 (Efi Target Efi-501650) with Bound Mg also contains other interesting chemical elements:

Nickel	(Ni)	2 atoms
Magnesium	(Mg)	16 atoms

The binding sites of Chlorine atom in the Crystal Structure of An Enolase From Alpha Pretobacterium BAL199 (Efi Target Efi-501650) with Bound Mg (pdb code 3ugv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of An Enolase From Alpha Pretobacterium BAL199 (Efi Target Efi-501650) with Bound Mg, PDB code: 3ugv:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of An Enolase From Alpha Pretobacterium BAL199 (Efi Target Efi-501650) with Bound Mg


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 An Enolase From Alpha Pretobacterium BAL199 (Efi Target Efi-501650) with Bound Mg within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl368 b:59.7 occ:1.00 NE1 A:TRP297 3.3 14.0 1.0 NE1 G:TRP297 3.4 19.6 1.0 ND1 A:HIS263 3.5 21.4 1.0 ND1 G:HIS263 3.7 16.3 1.0 CD1 A:TRP297 3.8 11.7 1.0 CD1 G:TRP297 3.8 17.9 1.0 CG1 A:VAL293 3.9 15.2 1.0 CG1 G:VAL293 4.2 22.9 1.0 CE1 A:HIS263 4.3 26.9 1.0 CE1 G:HIS263 4.3 18.9 1.0 CE2 A:TRP297 4.4 17.6 1.0 CG A:HIS263 4.5 18.1 1.0 CE2 G:TRP297 4.5 16.8 1.0 CB A:HIS263 4.7 16.7 1.0 CG G:HIS263 4.8 19.6 1.0 CB A:VAL293 4.9 19.2 1.0 O G:VAL293 5.0 19.8 1.0 O A:VAL293 5.0 22.4 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of An Enolase From Alpha Pretobacterium BAL199 (Efi Target Efi-501650) with Bound Mg


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 An Enolase From Alpha Pretobacterium BAL199 (Efi Target Efi-501650) with Bound Mg within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl368 b:57.2 occ:1.00 NE1 B:TRP297 3.3 27.4 1.0 NE1 F:TRP297 3.4 25.1 1.0 ND1 B:HIS263 3.5 28.5 1.0 ND1 F:HIS263 3.6 25.9 1.0 CD1 F:TRP297 3.8 21.9 1.0 CD1 B:TRP297 3.8 24.5 1.0 CG1 F:VAL293 4.2 26.4 1.0 CE1 B:HIS263 4.2 24.2 1.0 CE1 F:HIS263 4.2 24.6 1.0 CG1 B:VAL293 4.3 18.2 1.0 CE2 B:TRP297 4.4 29.5 1.0 CG B:HIS263 4.5 25.9 1.0 CE2 F:TRP297 4.6 26.5 1.0 CG F:HIS263 4.6 25.6 1.0 CB B:HIS263 4.7 24.1 1.0 CG2 B:VAL293 4.8 23.4 1.0 CB B:VAL293 4.9 19.1 1.0 O B:VAL293 4.9 27.3 1.0 CB F:HIS263 4.9 15.4 1.0 CA B:VAL293 5.0 22.3 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of An Enolase From Alpha Pretobacterium BAL199 (Efi Target Efi-501650) with Bound Mg


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of An Enolase From Alpha Pretobacterium BAL199 (Efi Target Efi-501650) with Bound Mg within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl368 b:56.3 occ:1.00 NE1 H:TRP297 3.3 22.0 1.0 NE1 D:TRP297 3.3 21.9 1.0 ND1 D:HIS263 3.5 17.3 1.0 ND1 H:HIS263 3.6 21.2 1.0 CD1 H:TRP297 3.8 21.9 1.0 CD1 D:TRP297 3.9 21.8 1.0 CG1 H:VAL293 4.1 12.6 1.0 CE1 H:HIS263 4.2 21.5 1.0 CE1 D:HIS263 4.2 26.0 1.0 CG1 D:VAL293 4.3 19.7 1.0 CE2 H:TRP297 4.4 29.6 1.0 CE2 D:TRP297 4.5 23.3 1.0 CG D:HIS263 4.6 21.1 1.0 CG H:HIS263 4.7 27.9 1.0 CB D:HIS263 4.8 19.6 1.0 CG2 D:VAL293 4.8 24.9 1.0 CB H:VAL293 5.0 16.8 1.0 O H:VAL293 5.0 25.5 1.0 CB D:VAL293 5.0 24.4 1.0 CZ2 D:TRP297 5.0 22.7 1.0

M.W.Vetting, R.Toro, R.Bhosle, S.R.Wasserman, L.L.Morisco, B.Hillerich, E.Washington, A.Scott Glenn, S.Chowdhury, B.Evans, J.Hammonds, W.D.Zencheck, H.J.Imker, J.A.Gerlt, S.C.Almo, Enzyme Function Initiative (Efi). Crystal Structure of An Enolase From Alpha Pretobacterium BAL199 (Efi Target Efi-501650) with Bound Mg To Be Published.