Chlorine in PDB 4h19: Crystal Structure of An Enolase (Mandelate Racemase Subgroup, Target Efi-502087) From Agrobacterium Tumefaciens, with Bound Mg and D- Ribonohydroxamate, Ordered Loop

The structure of Crystal Structure of An Enolase (Mandelate Racemase Subgroup, Target Efi-502087) From Agrobacterium Tumefaciens, with Bound Mg and D- Ribonohydroxamate, Ordered Loop, PDB code: 4h19 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)	197.84 / 1.80
Space group	C 2 2 21 1
Cell size a, b, c (Å), α, β, γ (°)	178.363, 395.688, 177.802, 90.00, 90.00, 90.00
R / Rfree (%)	13.7 / 17.5

The structure of Crystal Structure of An Enolase (Mandelate Racemase Subgroup, Target Efi-502087) From Agrobacterium Tumefaciens, with Bound Mg and D- Ribonohydroxamate, Ordered Loop also contains other interesting chemical elements:

Magnesium	(Mg)	16 atoms
Calcium	(Ca)	10 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 40; Page 5, Binding sites: 41 - 49;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of An Enolase (Mandelate Racemase Subgroup, Target Efi-502087) From Agrobacterium Tumefaciens, with Bound Mg and D- Ribonohydroxamate, Ordered Loop (pdb code 4h19). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 49 binding sites of Chlorine where determined in the Crystal Structure of An Enolase (Mandelate Racemase Subgroup, Target Efi-502087) From Agrobacterium Tumefaciens, with Bound Mg and D- Ribonohydroxamate, Ordered Loop, PDB code: 4h19:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 49 in the Crystal Structure of An Enolase (Mandelate Racemase Subgroup, Target Efi-502087) From Agrobacterium Tumefaciens, with Bound Mg and D- Ribonohydroxamate, 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 An Enolase (Mandelate Racemase Subgroup, Target Efi-502087) From Agrobacterium Tumefaciens, with Bound Mg and D- Ribonohydroxamate, Ordered Loop within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:13.1 occ:1.00 OG1 A:THR324 2.9 9.8 1.0 OH A:TYR226 3.0 11.0 1.0 CB A:THR324 3.4 10.2 1.0 CE1 A:TYR274 3.6 7.1 1.0 CE2 A:TYR226 3.9 9.5 1.0 CZ A:TYR226 3.9 10.1 1.0 CG2 A:THR324 4.0 11.1 1.0 CG1 A:ILE325 4.0 10.2 1.0 CD1 A:ILE325 4.1 11.0 1.0 CG2 A:ILE325 4.1 10.2 1.0 OH A:TYR274 4.2 8.4 1.0 CZ A:TYR274 4.3 7.3 1.0 CG1 A:VAL303 4.4 10.7 1.0 N A:ILE325 4.5 10.0 1.0 CD1 A:TYR274 4.5 6.6 1.0 CB A:ILE325 4.7 9.8 1.0 CA A:THR324 4.8 9.6 1.0 CZ3 A:TRP227 4.8 8.2 1.0 CB A:PRO301 4.8 7.8 1.0

Chlorine binding site 2 out of 49 in the Crystal Structure of An Enolase (Mandelate Racemase Subgroup, Target Efi-502087) From Agrobacterium Tumefaciens, with Bound Mg and D- Ribonohydroxamate, 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 An Enolase (Mandelate Racemase Subgroup, Target Efi-502087) From Agrobacterium Tumefaciens, with Bound Mg and D- Ribonohydroxamate, Ordered Loop within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:29.6 occ:1.00 O A:ALA100 2.8 9.9 1.0 O A:VAL97 3.0 12.0 1.0 N D:ILE102 3.1 9.3 1.0 N A:THR103 3.1 9.4 1.0 OG1 A:THR103 3.1 13.9 1.0 CG1 D:ILE102 3.3 10.4 1.0 N A:ILE102 3.4 9.6 1.0 CA D:GLY101 3.4 8.7 1.0 CG2 A:THR103 3.5 14.0 1.0 C A:GLY101 3.7 9.4 1.0 C D:GLY101 3.7 8.8 1.0 CB A:THR103 3.8 11.9 1.0 CA A:GLY98 3.8 9.9 1.0 C A:ALA100 3.9 9.6 1.0 C A:ILE102 4.0 10.3 1.0 CA A:THR103 4.0 10.7 1.0 CA A:ILE102 4.0 9.9 1.0 CA A:GLY101 4.0 9.3 1.0 CB D:ILE102 4.0 10.1 1.0 C A:VAL97 4.1 10.3 1.0 CA D:ILE102 4.1 9.3 1.0 CB A:ILE102 4.1 11.8 1.0 CD1 D:ILE102 4.2 11.9 1.0 CL D:CL405 4.2 26.8 1.0 O A:GLY101 4.3 9.4 1.0 N A:GLY98 4.4 9.9 1.0 N A:GLY101 4.4 9.8 1.0 N D:GLY101 4.6 8.6 1.0 C A:GLY98 4.7 9.7 1.0 N A:HIS104 4.8 10.2 1.0 O D:ALA100 4.9 9.2 1.0 CG1 A:ILE102 4.9 13.9 1.0 O D:GLY101 5.0 8.4 1.0 C A:THR103 5.0 10.2 1.0

Chlorine binding site 3 out of 49 in the Crystal Structure of An Enolase (Mandelate Racemase Subgroup, Target Efi-502087) From Agrobacterium Tumefaciens, with Bound Mg and D- Ribonohydroxamate, 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 An Enolase (Mandelate Racemase Subgroup, Target Efi-502087) From Agrobacterium Tumefaciens, with Bound Mg and D- Ribonohydroxamate, Ordered Loop within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:29.5 occ:1.00 O A:HOH505 2.6 11.9 1.0 O A:ILE329 2.7 14.2 1.0 N A:ILE332 2.9 13.3 1.0 N A:LYS333 3.0 12.0 1.0 C A:PRO330 3.2 18.5 1.0 N A:TRP331 3.3 15.9 1.0 CA A:PRO330 3.4 16.8 1.0 CB A:MET309 3.5 12.3 1.0 CB A:LYS333 3.5 11.8 1.0 O A:PRO330 3.6 17.0 1.0 CG1 A:ILE332 3.6 13.7 1.0 CA A:LYS333 3.7 11.8 1.0 CA A:ILE332 3.7 13.6 1.0 C A:ILE329 3.7 13.8 1.0 C A:ILE332 3.7 12.8 1.0 C A:TRP331 3.9 16.7 1.0 N A:PRO330 4.0 15.6 1.0 CA A:TRP331 4.1 14.9 1.0 CG A:MET309 4.1 15.1 1.0 O A:MET309 4.1 9.9 1.0 CG A:LYS333 4.2 12.7 1.0 CB A:ILE332 4.2 13.6 1.0 CD1 A:ILE340 4.3 16.3 1.0 SD A:MET309 4.5 16.7 1.0 O A:HOH508 4.6 28.8 1.0 CD A:LYS333 4.6 13.6 1.0 CA A:MET309 4.7 10.9 1.0 CB A:TRP331 4.7 14.9 1.0 CB A:PRO330 4.8 16.0 1.0 CG1 A:ILE340 4.8 14.3 1.0 O A:ILE332 4.8 13.1 1.0 C A:MET309 4.9 10.7 1.0 CD1 A:ILE332 4.9 15.3 1.0 CG2 A:ILE332 4.9 15.4 1.0 O A:TRP331 4.9 18.8 1.0

Chlorine binding site 4 out of 49 in the Crystal Structure of An Enolase (Mandelate Racemase Subgroup, Target Efi-502087) From Agrobacterium Tumefaciens, with Bound Mg and D- Ribonohydroxamate, 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 An Enolase (Mandelate Racemase Subgroup, Target Efi-502087) From Agrobacterium Tumefaciens, with Bound Mg and D- Ribonohydroxamate, Ordered Loop within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl402 b:14.1 occ:1.00 OH B:TYR226 2.9 14.6 1.0 OG1 B:THR324 3.0 12.5 1.0 O B:HOH635 3.1 23.8 1.0 O B:HOH519 3.2 13.9 1.0 CB B:THR324 3.4 12.1 1.0 CE1 B:TYR274 3.6 8.9 1.0 CZ B:TYR226 3.9 11.8 1.0 CE2 B:TYR226 3.9 12.6 1.0 CG2 B:THR324 4.0 13.6 1.0 CG1 B:ILE325 4.0 12.7 1.0 CD1 B:ILE325 4.0 12.8 1.0 CG2 B:ILE325 4.2 12.6 1.0 OH B:TYR274 4.2 9.3 1.0 CZ B:TYR274 4.3 8.7 1.0 CG1 B:VAL303 4.5 11.0 1.0 CD1 B:TYR274 4.5 9.3 1.0 N B:ILE325 4.5 11.9 1.0 O M:HOH553 4.5 14.6 1.0 CB B:ILE325 4.7 12.3 1.0 O B:HOH591 4.7 19.5 1.0 CA B:THR324 4.8 10.7 1.0 CZ3 B:TRP227 4.8 9.5 1.0 CB B:PRO301 4.8 9.4 1.0

Chlorine binding site 5 out of 49 in the Crystal Structure of An Enolase (Mandelate Racemase Subgroup, Target Efi-502087) From Agrobacterium Tumefaciens, with Bound Mg and D- Ribonohydroxamate, 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 An Enolase (Mandelate Racemase Subgroup, Target Efi-502087) From Agrobacterium Tumefaciens, with Bound Mg and D- Ribonohydroxamate, Ordered Loop within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl403 b:28.9 occ:1.00 O B:ALA100 2.7 9.5 1.0 N G:ILE102 3.0 9.9 1.0 O B:VAL97 3.0 12.2 1.0 OG1 B:THR103 3.1 16.7 1.0 N B:THR103 3.1 12.1 1.0 CA G:GLY101 3.3 9.3 1.0 N B:ILE102 3.4 11.1 1.0 CG1 G:ILE102 3.4 12.8 1.0 CG2 B:THR103 3.6 16.7 1.0 C G:GLY101 3.6 10.4 1.0 C B:GLY101 3.7 10.5 1.0 CB B:THR103 3.7 14.4 1.0 CA B:GLY98 3.8 11.4 1.0 C B:ALA100 3.8 9.5 1.0 CA B:THR103 4.0 13.4 1.0 CA B:ILE102 4.0 12.5 1.0 CA B:GLY101 4.0 10.2 1.0 CA G:ILE102 4.0 11.2 1.0 C B:ILE102 4.0 13.2 1.0 CB G:ILE102 4.1 12.0 1.0 C B:VAL97 4.1 11.2 1.0 CB B:ILE102 4.2 13.7 1.0 CD1 G:ILE102 4.2 12.2 1.0 CL G:CL403 4.3 27.8 1.0 O B:GLY101 4.4 10.3 1.0 N B:GLY101 4.4 9.2 1.0 N B:GLY98 4.4 11.2 1.0 N G:GLY101 4.6 9.6 1.0 C B:GLY98 4.7 11.9 1.0 N B:HIS104 4.8 12.0 1.0 O G:GLY101 4.9 9.2 1.0 O G:ALA100 4.9 11.1 1.0 C B:THR103 5.0 13.0 1.0 N B:ALA100 5.0 10.8 1.0 CG1 B:ILE102 5.0 17.0 1.0

Chlorine binding site 6 out of 49 in the Crystal Structure of An Enolase (Mandelate Racemase Subgroup, Target Efi-502087) From Agrobacterium Tumefaciens, with Bound Mg and D- Ribonohydroxamate, Ordered Loop


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of An Enolase (Mandelate Racemase Subgroup, Target Efi-502087) From Agrobacterium Tumefaciens, with Bound Mg and D- Ribonohydroxamate, Ordered Loop within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl404 b:35.4 occ:1.00 O B:HOH503 2.7 13.6 1.0 O B:ILE329 2.7 15.1 1.0 N B:ILE332 2.9 15.8 1.0 N B:LYS333 3.0 15.8 1.0 C B:PRO330 3.1 18.6 1.0 N B:TRP331 3.2 16.2 1.0 CA B:PRO330 3.4 17.3 1.0 O B:PRO330 3.5 21.2 1.0 CB B:MET309 3.5 15.1 1.0 CB B:LYS333 3.7 16.7 1.0 CA B:LYS333 3.7 16.7 1.0 CG1 B:ILE332 3.7 17.6 1.0 C B:ILE332 3.7 15.5 1.0 CA B:ILE332 3.7 15.6 1.0 C B:ILE329 3.7 16.2 1.0 C B:TRP331 3.8 18.4 1.0 CA B:TRP331 4.0 17.7 1.0 N B:PRO330 4.0 17.7 1.0 O B:MET309 4.2 14.0 1.0 CG B:MET309 4.2 17.3 1.0 CG B:LYS333 4.2 16.9 1.0 CB B:ILE332 4.2 16.2 1.0 SD B:MET309 4.4 19.2 1.0 CD1 B:ILE340 4.5 19.5 1.0 O B:HOH510 4.5 29.2 1.0 CB B:TRP331 4.6 17.3 1.0 CD B:LYS333 4.7 19.3 1.0 CA B:MET309 4.7 13.9 1.0 CB B:PRO330 4.7 18.4 1.0 O B:ILE332 4.8 18.4 1.0 CG1 B:ILE340 4.8 15.5 1.0 C B:MET309 4.9 14.3 1.0 CG2 B:ILE332 4.9 17.8 1.0 O B:TRP331 4.9 21.1 1.0 CD1 B:ILE332 5.0 15.8 1.0

Chlorine binding site 7 out of 49 in the Crystal Structure of An Enolase (Mandelate Racemase Subgroup, Target Efi-502087) From Agrobacterium Tumefaciens, with Bound Mg and D- Ribonohydroxamate, Ordered Loop


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of An Enolase (Mandelate Racemase Subgroup, Target Efi-502087) From Agrobacterium Tumefaciens, with Bound Mg and D- Ribonohydroxamate, Ordered Loop within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl401 b:13.3 occ:1.00 OH C:TYR226 3.0 10.0 1.0 O C:HOH658 3.0 19.4 1.0 OG1 C:THR324 3.0 11.3 1.0 O C:HOH517 3.2 12.8 1.0 CB C:THR324 3.5 11.1 1.0 CE1 C:TYR274 3.7 7.4 1.0 CZ C:TYR226 3.9 9.1 1.0 CE2 C:TYR226 3.9 9.1 1.0 CG1 C:ILE325 4.0 10.5 1.0 CG2 C:THR324 4.0 11.9 1.0 CD1 C:ILE325 4.0 10.4 1.0 CG2 C:ILE325 4.1 10.1 1.0 OH C:TYR274 4.2 9.2 1.0 CZ C:TYR274 4.3 7.3 1.0 CG1 C:VAL303 4.4 11.6 1.0 N C:ILE325 4.5 11.3 1.0 CD1 C:TYR274 4.5 7.8 1.0 CB C:ILE325 4.5 9.9 1.0 O G:HOH533 4.6 12.6 1.0 O C:HOH552 4.7 15.6 1.0 CZ3 C:TRP227 4.8 10.2 1.0 CB C:PRO301 4.8 8.8 1.0 CA C:THR324 4.8 10.0 1.0

Chlorine binding site 8 out of 49 in the Crystal Structure of An Enolase (Mandelate Racemase Subgroup, Target Efi-502087) From Agrobacterium Tumefaciens, with Bound Mg and D- Ribonohydroxamate, Ordered Loop


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of An Enolase (Mandelate Racemase Subgroup, Target Efi-502087) From Agrobacterium Tumefaciens, with Bound Mg and D- Ribonohydroxamate, Ordered Loop within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl402 b:35.2 occ:1.00 O C:HOH505 2.6 14.7 1.0 O C:ILE329 2.8 13.3 1.0 N C:ILE332 2.8 15.9 1.0 N C:LYS333 2.9 14.9 1.0 C C:PRO330 3.3 16.0 1.0 N C:TRP331 3.3 15.3 1.0 CA C:PRO330 3.5 14.3 1.0 CB C:MET309 3.5 15.2 1.0 O C:PRO330 3.6 16.8 1.0 CA C:LYS333 3.6 13.9 1.0 CB C:LYS333 3.6 14.4 1.0 CG1 C:ILE332 3.6 18.0 1.0 C C:ILE332 3.7 13.7 1.0 CA C:ILE332 3.7 15.3 1.0 C C:TRP331 3.8 17.3 1.0 C C:ILE329 3.8 13.9 1.0 CA C:TRP331 4.0 16.4 1.0 CG C:LYS333 4.1 15.9 1.0 N C:PRO330 4.1 14.2 1.0 CG C:MET309 4.1 15.3 1.0 O C:MET309 4.1 13.7 1.0 CB C:ILE332 4.2 16.6 1.0 CD1 C:ILE340 4.4 20.4 1.0 CD C:LYS333 4.6 16.9 1.0 SD C:MET309 4.6 19.4 1.0 O C:HOH512 4.6 24.2 1.0 CB C:TRP331 4.7 15.3 1.0 O C:ILE332 4.7 14.7 1.0 CA C:MET309 4.7 13.7 1.0 CD1 C:ILE332 4.8 20.4 1.0 CG1 C:ILE340 4.8 17.4 1.0 O C:TRP331 4.9 22.1 1.0 C C:MET309 4.9 13.2 1.0 CG2 C:ILE332 4.9 18.3 1.0 CB C:PRO330 4.9 15.9 1.0

Chlorine binding site 9 out of 49 in the Crystal Structure of An Enolase (Mandelate Racemase Subgroup, Target Efi-502087) From Agrobacterium Tumefaciens, with Bound Mg and D- Ribonohydroxamate, Ordered Loop


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of An Enolase (Mandelate Racemase Subgroup, Target Efi-502087) From Agrobacterium Tumefaciens, with Bound Mg and D- Ribonohydroxamate, Ordered Loop within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl403 b:31.1 occ:1.00 O C:ALA100 2.8 12.0 1.0 N C:THR103 3.1 11.2 1.0 N M:ILE102 3.1 11.8 1.0 O C:VAL97 3.1 14.1 1.0 OG1 C:THR103 3.1 16.9 1.0 N C:ILE102 3.4 12.7 1.0 CA M:GLY101 3.4 11.5 1.0 CG1 M:ILE102 3.4 15.5 1.0 CG2 C:THR103 3.5 16.4 1.0 C C:GLY101 3.7 12.5 1.0 C M:GLY101 3.7 11.1 1.0 CB C:THR103 3.7 14.9 1.0 C C:ALA100 3.9 12.3 1.0 C C:ILE102 3.9 11.7 1.0 CA C:ILE102 3.9 12.9 1.0 CA C:THR103 4.0 12.9 1.0 CA C:GLY98 4.0 12.4 1.0 CA C:GLY101 4.0 11.6 1.0 CB C:ILE102 4.1 14.9 1.0 CD1 M:ILE102 4.1 17.1 1.0 CB M:ILE102 4.1 15.4 1.0 C C:VAL97 4.1 12.0 1.0 CA M:ILE102 4.1 12.5 1.0 O M:HOH502 4.3 11.7 1.0 O C:GLY101 4.3 12.0 1.0 N C:GLY101 4.4 10.6 1.0 N C:GLY98 4.5 11.6 1.0 N M:GLY101 4.7 11.3 1.0 C C:GLY98 4.8 13.1 1.0 N C:HIS104 4.8 12.7 1.0 O M:ALA100 4.8 12.6 1.0 O M:GLY101 4.9 11.1 1.0 CG1 C:ILE102 4.9 16.3 1.0 C C:THR103 5.0 12.3 1.0

Chlorine binding site 10 out of 49 in the Crystal Structure of An Enolase (Mandelate Racemase Subgroup, Target Efi-502087) From Agrobacterium Tumefaciens, with Bound Mg and D- Ribonohydroxamate, Ordered Loop


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of An Enolase (Mandelate Racemase Subgroup, Target Efi-502087) From Agrobacterium Tumefaciens, with Bound Mg and D- Ribonohydroxamate, Ordered Loop within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl402 b:14.2 occ:1.00 OH D:TYR226 2.9 9.9 1.0 OG1 D:THR324 3.0 9.8 1.0 O D:HOH677 3.0 21.2 1.0 O D:HOH524 3.2 11.0 1.0 CB D:THR324 3.4 9.9 1.0 CE1 D:TYR274 3.6 9.1 1.0 CZ D:TYR226 3.9 7.8 1.0 CE2 D:TYR226 3.9 7.5 1.0 CG1 D:ILE325 3.9 9.3 1.0 CG2 D:THR324 4.0 10.9 1.0 CG2 D:ILE325 4.1 9.4 1.0 CD1 D:ILE325 4.2 9.3 1.0 OH D:TYR274 4.2 10.1 1.0 CZ D:TYR274 4.4 9.1 1.0 N D:ILE325 4.4 9.7 1.0 CG1 D:VAL303 4.5 8.8 1.0 CD1 D:TYR274 4.6 8.9 1.0 CB D:ILE325 4.6 9.5 1.0 O D:HOH530 4.6 12.2 1.0 O D:HOH615 4.7 15.8 1.0 CZ3 D:TRP227 4.8 8.4 1.0 CA D:THR324 4.8 8.8 1.0 CB D:PRO301 4.8 7.8 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 An Enolase (Mandelate Racemase Subgroup, Target Efi-502087) From Agrobacterium Tumefaciens, with Bound Mg and D-Ribonohydroxamate, Ordered Loop To Be Published.