Chlorine in PDB 4m0x: Crystal Structure of 2-Chloromuconate Cycloisomerase From Rhodococcus Opacus 1CP

The structure of Crystal Structure of 2-Chloromuconate Cycloisomerase From Rhodococcus Opacus 1CP, PDB code: 4m0x was solved by M.Ferraroni, M.Kolomytseva, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.70
Space group	P 4 21 2
Cell size a, b, c (Å), α, β, γ (°)	121.110, 121.110, 110.560, 90.00, 90.00, 90.00
R / Rfree (%)	17.7 / 26.5

The structure of Crystal Structure of 2-Chloromuconate Cycloisomerase From Rhodococcus Opacus 1CP also contains other interesting chemical elements:

Manganese

(Mn)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of 2-Chloromuconate Cycloisomerase From Rhodococcus Opacus 1CP (pdb code 4m0x). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of 2-Chloromuconate Cycloisomerase From Rhodococcus Opacus 1CP, PDB code: 4m0x:

Chlorine binding site 1 out of 1 in the Crystal Structure of 2-Chloromuconate Cycloisomerase From Rhodococcus Opacus 1CP


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 2-Chloromuconate Cycloisomerase From Rhodococcus Opacus 1CP within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:46.5 occ:1.00 O A:HOH605 2.6 30.0 1.0 MN A:MN401 2.8 27.3 1.0 O A:HOH606 3.2 57.6 1.0 NZ A:LYS167 3.4 51.7 1.0 OD2 A:ASP247 3.7 21.2 1.0 NZ A:LYS271 3.7 20.6 1.0 OD2 A:ASP196 3.7 28.2 1.0 CE A:LYS167 3.9 57.2 1.0 NZ A:LYS165 4.0 28.2 1.0 NE1 A:TRP58 4.1 25.0 1.0 OD1 A:ASN198 4.1 38.5 1.0 O A:ALA299 4.2 26.8 1.0 O A:HOH552 4.3 42.9 1.0 O A:HOH562 4.5 15.9 1.0 OE2 A:GLU222 4.6 24.6 1.0 O A:THR300 4.7 26.6 1.0 CD1 A:TRP58 4.7 24.6 1.0 CG A:ASP247 4.9 22.5 1.0 CG A:ASP196 4.9 26.7 1.0 CE1 A:PHE23 4.9 69.3 1.0

M.Kolomytseva, M.Ferraroni, A.Chernykh, L.Golovleva, A.Scozzafava. Structural Basis For the Substrate Specificity and the Absence of Dehalogenation Activity in 2-Chloromuconate Cycloisomerase From Rhodococcus Opacus 1CP. Biochim.Biophys.Acta V.1844 1541 2014.
ISSN: ISSN 0006-3002
PubMed: 24768773
DOI: 10.1016/J.BBAPAP.2014.04.008