Chlorine in PDB 4r1g: Structure of A Putative Peptidoglycan Glycosyltransferase From Atopobium Parvulum in Complex with Cloxacillin

All present enzymatic activity of Structure of A Putative Peptidoglycan Glycosyltransferase From Atopobium Parvulum in Complex with Cloxacillin:
2.4.1.129;

The structure of Structure of A Putative Peptidoglycan Glycosyltransferase From Atopobium Parvulum in Complex with Cloxacillin, PDB code: 4r1g was solved by E.V.Filippova, G.Minasov, O.Kiryukhina, S.Clancy, A.Joachimiak, W.F.Anderson, Midwest Center For Structural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.92
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	67.520, 69.889, 114.304, 90.00, 97.08, 90.00
R / Rfree (%)	17 / 20.6

The binding sites of Chlorine atom in the Structure of A Putative Peptidoglycan Glycosyltransferase From Atopobium Parvulum in Complex with Cloxacillin (pdb code 4r1g). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of A Putative Peptidoglycan Glycosyltransferase From Atopobium Parvulum in Complex with Cloxacillin, PDB code: 4r1g:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of A Putative Peptidoglycan Glycosyltransferase From Atopobium Parvulum in Complex with Cloxacillin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of A Putative Peptidoglycan Glycosyltransferase From Atopobium Parvulum in Complex with Cloxacillin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1001 b:98.2 occ:1.00 CL A:CXU1001 0.0 98.2 1.0 C29 A:CXU1001 1.8 83.3 1.0 C28 A:CXU1001 2.8 76.8 1.0 C30 A:CXU1001 2.8 75.7 1.0 C26 A:CXU1001 3.0 75.9 1.0 C22 A:CXU1001 3.0 69.4 1.0 CD1 A:LEU796 3.3 45.1 1.0 C21 A:CXU1001 3.4 55.7 1.0 O21 A:CXU1001 3.5 50.9 1.0 O A:HOH1212 3.7 53.5 1.0 CZ3 A:TRP791 3.9 42.3 1.0 N25 A:CXU1001 4.0 83.1 1.0 ND2 A:ASN739 4.0 36.8 1.0 N2 A:CXU1001 4.1 44.1 1.0 C33 A:CXU1001 4.1 76.9 1.0 CH2 A:TRP791 4.1 41.1 1.0 C31 A:CXU1001 4.1 72.7 1.0 C23 A:CXU1001 4.4 74.2 1.0 O24 A:CXU1001 4.6 83.3 1.0 C32 A:CXU1001 4.6 72.0 1.0 CG A:LEU796 4.7 39.2 1.0 CE3 A:TRP791 4.9 37.9 1.0 CG A:ASN739 4.9 32.9 1.0

Chlorine binding site 2 out of 2 in the Structure of A Putative Peptidoglycan Glycosyltransferase From Atopobium Parvulum in Complex with Cloxacillin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of A Putative Peptidoglycan Glycosyltransferase From Atopobium Parvulum in Complex with Cloxacillin within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1001 b:88.5 occ:1.00 CL B:CXU1001 0.0 88.5 1.0 C29 B:CXU1001 1.8 86.4 1.0 C30 B:CXU1001 2.8 83.1 1.0 C28 B:CXU1001 2.8 82.4 1.0 C26 B:CXU1001 3.1 76.1 1.0 C22 B:CXU1001 3.2 72.1 1.0 CD1 B:LEU796 3.3 49.0 1.0 C21 B:CXU1001 3.3 62.4 1.0 O21 B:CXU1001 3.4 55.0 1.0 O B:HOH1259 3.6 47.7 1.0 ND2 B:ASN739 3.7 40.0 1.0 CZ3 B:TRP791 3.8 46.5 1.0 O B:HOH1227 3.9 43.9 1.0 O B:HOH1260 3.9 40.8 1.0 CH2 B:TRP791 4.0 45.8 1.0 N2 B:CXU1001 4.1 46.4 1.0 C31 B:CXU1001 4.1 81.3 1.0 C33 B:CXU1001 4.1 87.2 1.0 N25 B:CXU1001 4.2 78.4 1.0 CG B:LEU796 4.6 43.9 1.0 CG B:ASN739 4.6 38.4 1.0 C32 B:CXU1001 4.6 84.7 1.0 C23 B:CXU1001 4.7 73.7 1.0 CE3 B:TRP791 4.8 45.2 1.0 O24 B:CXU1001 4.9 81.7 1.0 C2 B:CXU1001 4.9 47.8 1.0 OD1 B:ASN739 4.9 37.1 1.0

E.V.Filippova, G.Minasov, O.Kiryukhina, S.Clancy, A.Joachimiak, W.F.Anderson. Structure of A Putative Peptidoglycan Glycosyltransferase From Atopobium Parvulum in Complex with Cloxacillin To Be Published.