Chlorine in PDB 4jn8: Crystal Structure of An Enolase (Putative Galactarate Dehydratase, Target Efi-500740) From Agrobacterium Radiobacter, Bound Sulfate, No Metal Ion, Ordered Active Site

The structure of Crystal Structure of An Enolase (Putative Galactarate Dehydratase, Target Efi-500740) From Agrobacterium Radiobacter, Bound Sulfate, No Metal Ion, Ordered Active Site, PDB code: 4jn8 was solved by M.W.Vetting, F.Groninger-Poe, J.T.Bouvier, D.Wichelecki, L.L.Morisco, S.R.Wasserman, S.Sojitra, E.Washington, A.Scott Glenn, S.Chowdhury, B.Evans, J.Hammonds, M.Stead, B.Hillerich, J.Love, R.D.Seidel, 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)	21.19 / 1.40
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	124.044, 124.044, 114.640, 90.00, 90.00, 90.00
R / Rfree (%)	12.9 / 14.6

The binding sites of Chlorine atom in the Crystal Structure of An Enolase (Putative Galactarate Dehydratase, Target Efi-500740) From Agrobacterium Radiobacter, Bound Sulfate, No Metal Ion, Ordered Active Site (pdb code 4jn8). 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 An Enolase (Putative Galactarate Dehydratase, Target Efi-500740) From Agrobacterium Radiobacter, Bound Sulfate, No Metal Ion, Ordered Active Site, PDB code: 4jn8:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of An Enolase (Putative Galactarate Dehydratase, Target Efi-500740) From Agrobacterium Radiobacter, Bound Sulfate, No Metal Ion, Ordered Active Site


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 (Putative Galactarate Dehydratase, Target Efi-500740) From Agrobacterium Radiobacter, Bound Sulfate, No Metal Ion, Ordered Active Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl409 b:21.9 occ:0.78 HD22 A:ASN140 2.1 8.9 1.0 HH22 A:ARG181 2.2 12.7 1.0 ND2 A:ASN140 3.0 7.2 1.0 NH2 A:ARG181 3.0 10.3 1.0 O A:HOH693 3.0 17.7 1.0 HH12 A:ARG181 3.1 13.6 1.0 HD21 A:ASN140 3.5 8.9 1.0 HG21 A:THR146 3.5 8.0 1.0 HH21 A:ARG181 3.5 12.7 1.0 HG22 A:THR146 3.6 8.0 1.0 HG23 A:THR146 3.6 8.0 1.0 O A:HOH791 3.7 25.1 1.0 CG2 A:THR146 3.8 6.5 1.0 NH1 A:ARG181 3.8 11.1 1.0 O A:HOH821 3.8 28.2 1.0 CZ A:ARG181 3.9 8.7 1.0 CG A:ASN140 3.9 6.8 1.0 OD1 A:ASN140 3.9 8.0 1.0 HA2 A:GLY144 4.6 6.7 1.0 HH11 A:ARG181 4.6 13.6 1.0 O A:GLY144 4.8 5.0 1.0 HE1 A:TYR184 4.8 8.7 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of An Enolase (Putative Galactarate Dehydratase, Target Efi-500740) From Agrobacterium Radiobacter, Bound Sulfate, No Metal Ion, Ordered Active Site


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 (Putative Galactarate Dehydratase, Target Efi-500740) From Agrobacterium Radiobacter, Bound Sulfate, No Metal Ion, Ordered Active Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl410 b:14.8 occ:0.68 HE1 A:TRP143 2.3 10.4 1.0 O A:HOH889 2.3 28.4 1.0 HH12 A:ARG138 2.3 14.5 1.0 HD13 A:LEU320 2.9 13.7 1.0 NE1 A:TRP143 3.1 8.4 1.0 NH1 A:ARG138 3.1 11.8 1.0 O A:HOH730 3.2 24.0 1.0 HZ2 A:TRP143 3.2 8.7 1.0 O A:HOH668 3.3 14.6 1.0 O A:HOH801 3.3 24.3 1.0 HH11 A:ARG138 3.4 14.5 1.0 CD1 A:LEU320 3.8 11.2 1.0 HG3 A:GLU142 3.8 9.9 1.0 HD11 A:LEU320 3.8 13.7 1.0 CE2 A:TRP143 3.8 6.0 1.0 CZ2 A:TRP143 3.8 7.0 1.0 HH22 A:ARG138 3.8 12.8 1.0 O A:HOH954 3.8 36.0 1.0 CZ A:ARG138 4.2 9.7 1.0 HD12 A:LEU320 4.2 13.7 1.0 CD1 A:TRP143 4.3 9.1 1.0 NH2 A:ARG138 4.4 10.4 1.0 HD22 A:LEU320 4.4 11.4 1.0 HD23 A:LEU139 4.4 8.0 1.0 HB3 A:GLU142 4.5 7.8 1.0 HD1 A:TRP143 4.5 11.2 1.0 HB2 A:GLU142 4.6 7.8 1.0 O A:LYS322 4.6 13.9 1.0 CG A:GLU142 4.6 8.0 1.0 CB A:GLU142 4.8 6.3 1.0 O A:HOH1049 4.9 37.6 1.0 CG A:LEU320 4.9 8.5 1.0 CD2 A:LEU320 4.9 9.3 1.0 HD21 A:LEU320 5.0 11.4 1.0

M.W.Vetting, F.Groninger-Poe, J.T.Bouvier, D.Wichelecki, L.L.Morisco, S.R.Wasserman, S.Sojitra, E.Washington, A.Scott Glenn, S.Chowdhury, B.Evans, J.Hammonds, M.Stead, B.Hillerich, J.Love, R.D.Seidel, H.J.Imker, J.A.Gerlt, S.C.Almo, Enzyme Function Initiative (Efi). Crystal Structure of An Enolase (Putative Galactarate Dehydratase, Target Efi-500740) From Agrobacterium Radiobacter, Bound Sulfate, No Metal Ion, Ordered Active Site To Be Published.