Chlorine in PDB 3n4e: Crystal Structure of Mandelate Racemase/Muconate Lactonizing Protein From Paracoccus Denitrificans PD1222

The structure of Crystal Structure of Mandelate Racemase/Muconate Lactonizing Protein From Paracoccus Denitrificans PD1222, PDB code: 3n4e was solved by V.N.Malashkevich, R.Toro, J.M.Sauder, S.K.Burley, S.C.Almo, New York Sgxresearch Center For Structural Genomics (Nysgxrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.93 / 2.40
Space group	P 4 21 2
Cell size a, b, c (Å), α, β, γ (°)	137.711, 137.711, 80.363, 90.00, 90.00, 90.00
R / Rfree (%)	15.7 / 21.3

The structure of Crystal Structure of Mandelate Racemase/Muconate Lactonizing Protein From Paracoccus Denitrificans PD1222 also contains other interesting chemical elements:

Calcium

(Ca)

6 atoms

The binding sites of Chlorine atom in the Crystal Structure of Mandelate Racemase/Muconate Lactonizing Protein From Paracoccus Denitrificans PD1222 (pdb code 3n4e). 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 Mandelate Racemase/Muconate Lactonizing Protein From Paracoccus Denitrificans PD1222, PDB code: 3n4e:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Mandelate Racemase/Muconate Lactonizing Protein From Paracoccus Denitrificans PD1222


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 Mandelate Racemase/Muconate Lactonizing Protein From Paracoccus Denitrificans PD1222 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:34.2 occ:0.25 O A:HOH513 4.1 14.6 1.0 O A:HOH441 4.2 14.2 1.0 O A:HOH542 4.3 19.5 1.0 NH2 A:ARG212 4.7 20.6 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Mandelate Racemase/Muconate Lactonizing Protein From Paracoccus Denitrificans PD1222


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 Mandelate Racemase/Muconate Lactonizing Protein From Paracoccus Denitrificans PD1222 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl503 b:40.8 occ:0.25 O B:HOH395 4.4 7.4 1.0 O B:HOH520 4.4 20.5 1.0 O B:HOH432 4.5 11.8 1.0 NH2 B:ARG212 4.6 21.8 1.0

V.N.Malashkevich, R.Toro, J.M.Sauder, S.K.Burley, S.C.Almo. Crystal Structure of Mandelate Racemase/Muconate Lactonizing Protein From Paracoccus Denitrificans PD1222 To Be Published.