Chlorine in PDB 4jn7: Crystal Structure of An Enolase (Putative Galactarate Dehydratase, Target Efi-500740) From Agrobacterium Radiobacter, Bound Na and L- Malate, Ordered Active Site

The structure of Crystal Structure of An Enolase (Putative Galactarate Dehydratase, Target Efi-500740) From Agrobacterium Radiobacter, Bound Na and L- Malate, Ordered Active Site, PDB code: 4jn7 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)	18.52 / 1.15
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	131.008, 131.008, 102.232, 90.00, 90.00, 90.00
R / Rfree (%)	13.6 / 14.5

The structure of Crystal Structure of An Enolase (Putative Galactarate Dehydratase, Target Efi-500740) From Agrobacterium Radiobacter, Bound Na and L- Malate, Ordered Active Site also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of An Enolase (Putative Galactarate Dehydratase, Target Efi-500740) From Agrobacterium Radiobacter, Bound Na and L- Malate, Ordered Active Site (pdb code 4jn7). 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 An Enolase (Putative Galactarate Dehydratase, Target Efi-500740) From Agrobacterium Radiobacter, Bound Na and L- Malate, Ordered Active Site, PDB code: 4jn7:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Crystal Structure of An Enolase (Putative Galactarate Dehydratase, Target Efi-500740) From Agrobacterium Radiobacter, Bound Na and L- Malate, 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 Na and L- Malate, Ordered Active Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl407 b:14.6 occ:0.67 H A:LEU348 2.1 11.4 1.0 HH21 A:ARG357 2.3 12.3 1.0 O A:HOH610 2.7 14.0 1.0 HA A:TYR347 2.8 10.9 1.0 N A:LEU348 2.9 9.5 1.0 NH2 A:ARG357 3.0 10.3 1.0 HH22 A:ARG357 3.2 12.3 1.0 HB2 A:LEU348 3.2 12.6 1.0 O A:HOH539 3.3 10.2 1.0 O A:HOH537 3.4 10.1 1.0 O A:PRO346 3.5 10.2 1.0 O A:LEU348 3.6 9.5 1.0 O A:HOH877 3.6 32.1 1.0 CA A:TYR347 3.7 9.1 1.0 HG A:LEU348 3.8 13.0 1.0 C A:TYR347 3.8 9.1 1.0 CA A:LEU348 3.8 9.8 1.0 CB A:LEU348 3.8 10.5 1.0 O A:HOH673 3.9 16.9 0.5 HE A:ARG357 4.0 12.3 1.0 C A:LEU348 4.1 9.6 1.0 CZ A:ARG357 4.2 9.9 1.0 O A:HOH678 4.2 21.9 1.0 CG A:LEU348 4.3 10.8 1.0 HD12 A:LEU348 4.3 13.9 1.0 C A:PRO346 4.3 9.8 1.0 N A:TYR347 4.4 9.3 1.0 NE A:ARG357 4.5 10.2 1.0 O A:HOH562 4.5 10.4 1.0 HD2 A:TYR347 4.7 10.5 1.0 O A:HOH681 4.7 21.4 1.0 HB3 A:TYR347 4.7 10.9 1.0 HA A:LEU348 4.7 11.8 1.0 HB3 A:LEU348 4.7 12.6 1.0 CB A:TYR347 4.7 9.1 1.0 CD1 A:LEU348 4.9 11.6 1.0 O A:TYR347 5.0 9.6 1.0

Chlorine binding site 2 out of 5 in the Crystal Structure of An Enolase (Putative Galactarate Dehydratase, Target Efi-500740) From Agrobacterium Radiobacter, Bound Na and L- Malate, 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 Na and L- Malate, Ordered Active Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl408 b:14.6 occ:0.70 H A:GLY82 2.2 9.4 1.0 O A:PRO78 2.7 13.8 1.0 N A:GLY82 3.0 7.9 1.0 O A:HOH652 3.0 16.2 1.0 HA3 A:GLY82 3.2 10.7 1.0 HB2 A:LEU81 3.4 10.4 1.0 H A:LEU81 3.5 9.4 1.0 CA A:GLY82 3.6 8.9 1.0 C A:PRO78 3.7 10.8 1.0 HB3 A:PRO78 3.9 14.1 1.0 HA A:PRO78 3.9 14.3 1.0 N A:LEU81 3.9 7.8 1.0 C A:LEU81 4.1 7.8 1.0 HA2 A:GLY82 4.1 10.7 1.0 CA A:PRO78 4.2 12.0 1.0 O A:GLY79 4.2 10.8 1.0 CB A:LEU81 4.3 8.6 1.0 CA A:LEU81 4.3 8.1 1.0 C A:GLY79 4.4 10.1 1.0 CB A:PRO78 4.4 11.7 1.0 H A:LEU83 4.5 7.9 1.0 HB2 A:PRO78 4.5 14.1 1.0 N A:ALA80 4.6 10.3 1.0 H A:ALA80 4.7 12.4 1.0 HB3 A:LEU81 4.7 10.4 1.0 C A:ALA80 4.7 7.4 1.0 N A:GLY79 4.8 12.5 1.0 C A:GLY82 4.8 7.2 1.0 HA3 A:GLY79 4.9 14.8 1.0 CA A:GLY79 4.9 12.3 1.0 O A:HOH635 5.0 12.8 1.0 N A:LEU83 5.0 6.6 1.0 O A:HOH886 5.0 31.7 1.0

Chlorine binding site 3 out of 5 in the Crystal Structure of An Enolase (Putative Galactarate Dehydratase, Target Efi-500740) From Agrobacterium Radiobacter, Bound Na and L- Malate, Ordered Active Site


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 (Putative Galactarate Dehydratase, Target Efi-500740) From Agrobacterium Radiobacter, Bound Na and L- Malate, Ordered Active Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl409 b:28.4 occ:0.70 H A:ASP156 2.1 14.9 1.0 HE1 A:HIS160 2.1 17.1 1.0 N A:ASP156 2.9 12.4 1.0 CE1 A:HIS160 2.9 14.3 1.0 HB A:VAL155 3.0 14.9 1.0 HA A:VAL155 3.1 14.2 1.0 O A:HOH938 3.1 34.0 1.0 HB3 A:ASP156 3.1 15.6 1.0 O A:HOH1007 3.1 36.4 1.0 HB2 A:ASP156 3.3 15.6 1.0 CB A:ASP156 3.5 13.0 1.0 CA A:VAL155 3.6 11.8 1.0 CB A:VAL155 3.7 12.4 1.0 ND1 A:HIS160 3.7 14.4 1.0 HD1 A:HIS160 3.7 17.3 1.0 C A:VAL155 3.7 11.9 1.0 CA A:ASP156 3.8 12.1 1.0 O A:HOH1009 3.9 32.2 1.0 NE2 A:HIS160 3.9 19.5 1.0 HG12 A:VAL155 3.9 18.5 1.0 HE2 A:HIS160 4.0 23.4 1.0 CG1 A:VAL155 4.4 15.4 1.0 HA A:ASP156 4.5 14.5 1.0 O A:HOH776 4.6 25.7 1.0 HB3 A:ALA159 4.6 15.6 1.0 O A:ASP156 4.7 11.0 1.0 HG11 A:VAL155 4.7 18.5 1.0 C A:ASP156 4.8 10.6 1.0 HG23 A:VAL155 4.9 16.9 1.0 CG2 A:VAL155 4.9 14.1 1.0 O A:VAL155 4.9 13.3 1.0 CG A:HIS160 5.0 11.9 1.0 CG A:ASP156 5.0 12.2 1.0

Chlorine binding site 4 out of 5 in the Crystal Structure of An Enolase (Putative Galactarate Dehydratase, Target Efi-500740) From Agrobacterium Radiobacter, Bound Na and L- Malate, Ordered Active Site


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 An Enolase (Putative Galactarate Dehydratase, Target Efi-500740) From Agrobacterium Radiobacter, Bound Na and L- Malate, Ordered Active Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl410 b:15.1 occ:0.75 HA A:ASP183 3.0 11.3 1.0 HB3 A:ASP183 3.4 12.7 1.0 HB2 A:ASP183 3.6 12.7 1.0 CB A:ASP183 3.8 10.6 1.0 CA A:ASP183 3.8 9.4 1.0 O A:HOH1015 3.9 33.9 1.0 O A:ASP182 4.5 8.8 0.6 N A:ASP183 4.7 9.1 1.0 O A:ASP182 4.7 10.3 0.4 O A:ASP183 4.8 10.0 1.0 C A:ASP183 4.8 8.6 1.0 C A:ASP182 4.9 9.9 0.6

Chlorine binding site 5 out of 5 in the Crystal Structure of An Enolase (Putative Galactarate Dehydratase, Target Efi-500740) From Agrobacterium Radiobacter, Bound Na and L- Malate, Ordered Active Site


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 An Enolase (Putative Galactarate Dehydratase, Target Efi-500740) From Agrobacterium Radiobacter, Bound Na and L- Malate, Ordered Active Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl411 b:20.3 occ:0.66 HD22 A:ASN140 2.1 12.2 1.0 HH22 A:ARG181 2.1 16.3 1.0 ND2 A:ASN140 2.9 10.2 1.0 NH2 A:ARG181 2.9 13.6 1.0 O A:HOH939 3.0 36.9 1.0 HH12 A:ARG181 3.1 15.6 1.0 O A:HOH711 3.1 20.1 1.0 HG22 A:THR146 3.4 11.2 1.0 HD21 A:ASN140 3.4 12.2 1.0 HH21 A:ARG181 3.5 16.3 1.0 HG21 A:THR146 3.5 11.2 1.0 HG23 A:THR146 3.6 11.2 1.0 CG2 A:THR146 3.7 9.3 1.0 NH1 A:ARG181 3.8 13.0 1.0 CG A:ASN140 3.8 9.7 1.0 OD1 A:ASN140 3.8 10.7 1.0 CZ A:ARG181 3.8 11.7 1.0 O A:HOH805 4.0 31.7 1.0 O A:HOH783 4.2 22.7 1.0 O A:HOH821 4.2 31.3 1.0 HH11 A:ARG181 4.6 15.6 1.0 HA2 A:GLY144 4.7 11.1 1.0 O A:HOH1014 4.7 33.2 1.0 HE1 A:TYR184 4.7 10.8 1.0 O A:GLY144 4.8 8.4 1.0 OD2 A:ASP183 5.0 16.8 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 Na and L-Malate, Ordered Active Site To Be Published.