Chlorine in PDB 1u2e: Crystal Structure of the C-C Bond Hydrolase Mhpc

The structure of Crystal Structure of the C-C Bond Hydrolase Mhpc, PDB code: 1u2e was solved by M.G.Montgomery, G.Dunn, F.Mohammed, T.Robertson, J.-L.Garcia, A.Coker, T.D.H.Bugg, S.P.Wood, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.10
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	144.858, 144.154, 62.107, 90.00, 90.00, 90.00
R / Rfree (%)	21.9 / 27.8

The binding sites of Chlorine atom in the Crystal Structure of the C-C Bond Hydrolase Mhpc (pdb code 1u2e). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of the C-C Bond Hydrolase Mhpc, PDB code: 1u2e:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of the C-C Bond Hydrolase Mhpc


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 the C-C Bond Hydrolase Mhpc within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1002 b:41.3 occ:1.00 NH2 A:ARG188 3.1 59.5 1.0 N A:GLY41 3.1 28.0 1.0 O A:HOH1073 3.3 44.2 1.0 CB A:ALA44 3.5 35.2 1.0 CA A:GLY41 3.6 35.1 1.0 CA A:GLY39 3.7 29.8 1.0 C A:GLY39 3.7 33.6 1.0 N A:SER40 3.8 27.5 1.0 ND2 A:ASN49 3.9 28.2 1.0 OD1 A:ASN49 4.1 38.9 1.0 CZ A:ARG188 4.1 53.7 1.0 N A:GLY39 4.2 37.2 1.0 C A:SER40 4.3 29.1 1.0 CZ A:PHE173 4.3 35.7 1.0 O A:GLY39 4.3 35.1 1.0 NH1 A:ARG188 4.3 54.4 1.0 CG A:ASN49 4.4 36.2 1.0 C A:GLY41 4.5 33.5 1.0 CA A:SER40 4.6 29.8 1.0 O A:GLY41 4.6 29.9 1.0 O A:HOH1057 4.7 38.5 1.0 CA A:ALA44 4.9 34.9 1.0 CE1 A:PHE173 5.0 35.6 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of the C-C Bond Hydrolase Mhpc


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 the C-C Bond Hydrolase Mhpc within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1285 b:47.1 occ:1.00 NH2 B:ARG1188 3.3 42.9 0.0 N B:GLY1041 3.4 35.2 1.0 CA B:GLY1039 3.5 30.0 1.0 ND2 B:ASN1049 3.7 31.8 1.0 OD1 B:ASN1049 3.7 43.3 1.0 C B:GLY1039 3.7 36.5 1.0 CA B:GLY1041 3.8 37.4 1.0 N B:GLY1039 3.9 31.8 1.0 N B:SER1040 3.9 35.2 1.0 CB B:ALA1044 4.0 33.2 1.0 CG B:ASN1049 4.1 39.5 1.0 O B:GLY1039 4.3 35.2 1.0 C B:SER1040 4.5 35.5 1.0 CZ B:PHE1173 4.5 52.7 1.0 CZ B:ARG1188 4.5 43.1 0.0 OD1 B:ASN1109 4.5 59.5 1.0 CE1 B:PHE1173 4.8 55.7 1.0 CA B:SER1040 4.8 35.4 1.0 C B:GLY1041 4.9 40.4 1.0 NH1 B:ARG1188 4.9 42.9 0.0

Chlorine binding site 3 out of 4 in the Crystal Structure of the C-C Bond Hydrolase Mhpc


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 the C-C Bond Hydrolase Mhpc within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1003 b:37.0 occ:1.00 O C:HOH215 3.1 40.4 1.0 NH2 C:ARG2188 3.1 53.6 1.0 O C:HOH1 3.2 37.0 1.0 N C:GLY2041 3.2 28.7 1.0 CB C:ALA2044 3.6 26.8 1.0 CA C:GLY2041 3.6 32.5 1.0 ND2 C:ASN2049 3.7 32.5 1.0 CA C:GLY2039 3.8 26.8 1.0 C C:GLY2039 3.8 33.2 1.0 N C:SER2040 3.9 29.7 1.0 OD1 C:ASN2049 3.9 33.6 1.0 CZ C:ARG2188 4.0 40.8 1.0 CZ C:PHE2173 4.1 44.1 1.0 N C:GLY2039 4.3 30.0 1.0 O C:GLY2039 4.3 38.0 1.0 CG C:ASN2049 4.3 35.1 1.0 C C:SER2040 4.4 31.9 1.0 NH1 C:ARG2188 4.4 40.0 1.0 C C:GLY2041 4.5 32.6 1.0 O C:GLY2041 4.5 31.4 1.0 CA C:SER2040 4.7 30.2 1.0 NE C:ARG2188 4.8 50.7 1.0 O C:HOH246 4.8 28.3 1.0 CE1 C:PHE2173 4.9 38.3 1.0 ND2 C:ASN2109 4.9 38.8 1.0 CE2 C:PHE2173 4.9 33.0 1.0 CA C:ALA2044 4.9 32.8 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of the C-C Bond Hydrolase Mhpc


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 the C-C Bond Hydrolase Mhpc within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl1001 b:36.7 occ:1.00 O D:HOH184 3.2 29.7 1.0 N D:GLY3041 3.3 27.2 1.0 NH2 D:ARG3188 3.5 65.3 1.0 ND2 D:ASN3049 3.6 30.2 1.0 CB D:ALA3044 3.6 33.2 1.0 CA D:GLY3041 3.7 33.2 1.0 CA D:GLY3039 3.7 29.3 1.0 OD1 D:ASN3049 3.8 41.2 1.0 C D:GLY3039 3.8 28.6 1.0 CZ D:ARG3188 4.0 57.9 1.0 N D:SER3040 4.1 28.4 1.0 CG D:ASN3049 4.1 40.1 1.0 CZ D:PHE3173 4.2 31.7 1.0 N D:GLY3039 4.2 28.4 1.0 NH1 D:ARG3188 4.2 57.5 1.0 O D:GLY3039 4.3 26.5 1.0 C D:SER3040 4.5 25.8 1.0 C D:GLY3041 4.6 33.1 1.0 O D:HOH354 4.6 35.1 1.0 ND2 D:ASN3109 4.7 39.3 1.0 O D:GLY3041 4.7 35.4 1.0 CE2 D:PHE3173 4.8 30.0 1.0 CA D:ALA3044 4.9 32.7 1.0 CA D:SER3040 4.9 28.0 1.0 NE D:ARG3188 5.0 58.2 1.0 CE1 D:PHE3173 5.0 30.4 1.0

G.Dunn, M.G.Montgomery, F.Mohammed, A.Coker, J.B.Cooper, T.Robertson, J.-L.Garcia, T.D.H.Bugg, S.P.Wood. The Structure of the C-C Bond Hydrolase Mhpc Provides Insights Into Its Catalytic Mechanism J.Mol.Biol. V. 346 253 2005.
ISSN: ISSN 0022-2836
PubMed: 15663942
DOI: 10.1016/J.JMB.2004.11.033