Chlorine in PDB 4gfi: Crystal Structure of Efi-502318, An Enolase Family Member From Agrobacterium Tumefaciens with Homology to Dipeptide Epimerases (Bound Sodium, L-Ala-L-Glu with Ordered Loop)

The structure of Crystal Structure of Efi-502318, An Enolase Family Member From Agrobacterium Tumefaciens with Homology to Dipeptide Epimerases (Bound Sodium, L-Ala-L-Glu with Ordered Loop), PDB code: 4gfi was solved by M.W.Vetting, J.T.Bouvier, L.L.Morisco, S.R.Wasserman, S.Sojitra, 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)	62.83 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	76.901, 77.274, 215.825, 90.00, 90.00, 90.00
R / Rfree (%)	17.1 / 21.3

The structure of Crystal Structure of Efi-502318, An Enolase Family Member From Agrobacterium Tumefaciens with Homology to Dipeptide Epimerases (Bound Sodium, L-Ala-L-Glu with Ordered Loop) also contains other interesting chemical elements:

Sodium

(Na)

4 atoms

The binding sites of Chlorine atom in the Crystal Structure of Efi-502318, An Enolase Family Member From Agrobacterium Tumefaciens with Homology to Dipeptide Epimerases (Bound Sodium, L-Ala-L-Glu with Ordered Loop) (pdb code 4gfi). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of Efi-502318, An Enolase Family Member From Agrobacterium Tumefaciens with Homology to Dipeptide Epimerases (Bound Sodium, L-Ala-L-Glu with Ordered Loop), PDB code: 4gfi:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Crystal Structure of Efi-502318, An Enolase Family Member From Agrobacterium Tumefaciens with Homology to Dipeptide Epimerases (Bound Sodium, L-Ala-L-Glu with Ordered Loop)


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 Efi-502318, An Enolase Family Member From Agrobacterium Tumefaciens with Homology to Dipeptide Epimerases (Bound Sodium, L-Ala-L-Glu with Ordered Loop) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl404 b:59.7 occ:1.00 NH1 B:ARG265 3.5 20.2 1.0 NH2 B:ARG265 3.9 21.9 1.0 CZ B:ARG265 4.2 18.6 1.0 CD2 B:LEU266 4.3 13.9 1.0 NH2 B:ARG237 4.4 39.2 1.0 NH1 B:ARG237 4.7 46.8 1.0 CZ B:ARG237 4.9 45.5 1.0 CD D:ARG171 5.0 21.5 1.0

Chlorine binding site 2 out of 5 in the Crystal Structure of Efi-502318, An Enolase Family Member From Agrobacterium Tumefaciens with Homology to Dipeptide Epimerases (Bound Sodium, L-Ala-L-Glu with Ordered Loop)


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 Efi-502318, An Enolase Family Member From Agrobacterium Tumefaciens with Homology to Dipeptide Epimerases (Bound Sodium, L-Ala-L-Glu with Ordered Loop) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl405 b:44.0 occ:1.00 N B:ILE270 2.9 9.9 1.0 CB B:ALA293 3.4 10.8 1.0 N B:ALA293 3.5 9.3 1.0 CB B:ILE270 3.6 9.1 1.0 CG1 B:ILE270 3.7 15.2 1.0 O B:HOH683 3.7 29.8 1.0 CA B:ILE270 3.7 11.5 1.0 C B:THR269 3.9 11.0 1.0 O B:ILE270 3.9 9.0 1.0 CA B:THR269 3.9 12.3 1.0 CA B:ALA293 4.0 13.6 1.0 O B:HOH699 4.3 37.1 1.0 CG2 B:THR269 4.3 11.6 1.0 C B:ILE270 4.3 13.6 1.0 C B:THR292 4.4 9.2 1.0 CA B:THR292 4.5 14.2 1.0 O B:PHE268 4.6 15.9 1.0 CB B:THR269 4.6 12.5 1.0 CB B:THR292 4.9 10.5 1.0 CD1 B:ILE270 5.0 12.6 1.0

Chlorine binding site 3 out of 5 in the Crystal Structure of Efi-502318, An Enolase Family Member From Agrobacterium Tumefaciens with Homology to Dipeptide Epimerases (Bound Sodium, L-Ala-L-Glu with Ordered Loop)


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 Efi-502318, An Enolase Family Member From Agrobacterium Tumefaciens with Homology to Dipeptide Epimerases (Bound Sodium, L-Ala-L-Glu with Ordered Loop) within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl404 b:53.2 occ:1.00 N C:THR26 3.3 32.0 1.0 CD2 C:HIS27 3.6 51.7 1.0 CA C:ARG25 3.7 34.3 1.0 CB C:ARG25 3.7 39.0 1.0 OG1 C:THR26 3.8 36.8 1.0 N C:HIS27 3.9 32.9 1.0 C C:ARG25 4.0 32.9 1.0 CG C:ARG25 4.2 48.8 1.0 CA C:THR26 4.3 29.9 1.0 CG C:HIS27 4.4 51.6 1.0 C C:THR26 4.5 31.4 1.0 CB C:HIS27 4.6 43.6 1.0 NE2 C:HIS27 4.6 53.8 1.0 CB C:THR26 4.6 32.4 1.0 O C:HIS27 4.7 34.7 1.0 CA C:HIS27 4.7 37.9 1.0 O C:HOH620 4.7 27.3 1.0 NH1 C:ARG11 4.8 58.1 1.0 O C:THR24 4.9 37.0 1.0 N C:ARG25 5.0 35.4 1.0

Chlorine binding site 4 out of 5 in the Crystal Structure of Efi-502318, An Enolase Family Member From Agrobacterium Tumefaciens with Homology to Dipeptide Epimerases (Bound Sodium, L-Ala-L-Glu with Ordered Loop)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Efi-502318, An Enolase Family Member From Agrobacterium Tumefaciens with Homology to Dipeptide Epimerases (Bound Sodium, L-Ala-L-Glu with Ordered Loop) within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl404 b:38.5 occ:1.00 N D:GLU324 3.0 9.6 1.0 O B:HOH675 3.1 30.9 1.0 CG D:GLU324 3.2 25.2 1.0 CB D:GLU324 3.3 21.6 1.0 CD D:PRO323 3.6 10.8 1.0 CB D:ARG322 3.6 9.3 1.0 CG D:PRO323 3.7 14.8 1.0 CA D:GLU324 3.7 15.1 1.0 N D:PRO323 3.7 11.1 1.0 CD D:GLU324 4.0 33.7 1.0 C D:PRO323 4.0 12.4 1.0 C D:ARG322 4.1 10.3 1.0 OE2 D:GLU324 4.2 39.7 1.0 CA D:PRO323 4.2 9.9 1.0 O B:HOH710 4.4 28.8 1.0 CB D:PRO323 4.4 10.6 1.0 CA D:ARG322 4.4 9.0 1.0 CG D:ARG322 4.6 14.9 1.0 CD D:ARG322 4.7 23.9 1.0 OE1 D:GLU324 4.8 27.9 1.0 O D:ARG322 4.8 10.6 1.0 NE D:ARG322 4.9 34.2 1.0

Chlorine binding site 5 out of 5 in the Crystal Structure of Efi-502318, An Enolase Family Member From Agrobacterium Tumefaciens with Homology to Dipeptide Epimerases (Bound Sodium, L-Ala-L-Glu with Ordered Loop)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Efi-502318, An Enolase Family Member From Agrobacterium Tumefaciens with Homology to Dipeptide Epimerases (Bound Sodium, L-Ala-L-Glu with Ordered Loop) within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl405 b:57.2 occ:1.00 O D:HOH626 2.9 28.8 1.0 NH1 D:ARG239 3.5 20.9 1.0 O D:HOH625 3.6 15.4 1.0 NH2 D:ARG239 4.2 25.1 1.0 CZ D:ARG239 4.3 23.8 1.0 O D:HOH678 4.6 28.1 1.0 CA D:GLY207 4.8 21.6 1.0 N D:GLY207 4.9 15.8 1.0 O D:HOH679 4.9 30.9 1.0

M.W.Vetting, J.T.Bouvier, L.L.Morisco, S.R.Wasserman, S.Sojitra, H.J.Imker, J.A.Gerlt, S.C.Almo, Enzyme Function Initiative (Efi). Crystal Structure of Efi-502318, An Enolase Family Member From Agrobacterium Tumefaciens with Homology to Dipeptide Epimerases (Bound Sodium, L-Ala-L-Glu with Ordered Loop) To Be Published.