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

Enzymatic activity of 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;

Protein crystallography data

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

Chlorine Binding Sites:

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 4r1g

Go back to Chlorine Binding Sites List in 4r1g
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 4r1g

Go back to Chlorine Binding Sites List in 4r1g
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

Reference:

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.
Page generated: Sat Dec 12 11:10:33 2020

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