Atomistry » Chlorine » PDB 4qyy-4r66 » 4r23
Atomistry »
  Chlorine »
    PDB 4qyy-4r66 »
      4r23 »

Chlorine in PDB 4r23: Structure of A Putative Peptidoglycan Glycosyltransferase From Atopobium Parvulum in Complex with Dicloxacillin

Enzymatic activity of Structure of A Putative Peptidoglycan Glycosyltransferase From Atopobium Parvulum in Complex with Dicloxacillin

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

Protein crystallography data

The structure of Structure of A Putative Peptidoglycan Glycosyltransferase From Atopobium Parvulum in Complex with Dicloxacillin, PDB code: 4r23 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 / 1.84
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 67.611, 69.882, 114.251, 90.00, 96.87, 90.00
R / Rfree (%) 15.5 / 19.2

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of A Putative Peptidoglycan Glycosyltransferase From Atopobium Parvulum in Complex with Dicloxacillin (pdb code 4r23). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Structure of A Putative Peptidoglycan Glycosyltransferase From Atopobium Parvulum in Complex with Dicloxacillin, PDB code: 4r23:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 4r23

Go back to Chlorine Binding Sites List in 4r23
Chlorine binding site 1 out of 4 in the Structure of A Putative Peptidoglycan Glycosyltransferase From Atopobium Parvulum in Complex with Dicloxacillin


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 Dicloxacillin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1001

b:0.9
occ:1.00
 CL1 A:DXU1001 0.0 0.9 1.0
C29 A:DXU1001 1.8 0.3 1.0
C30 A:DXU1001 2.8 0.5 1.0
C28 A:DXU1001 2.9 96.5 1.0
NE2 A:HIS718 2.9 66.0 1.0
C26 A:DXU1001 3.0 85.8 1.0
O21 A:DXU1001 3.1 53.4 1.0
N25 A:DXU1001 3.3 88.5 1.0
CE1 A:HIS718 3.6 66.4 1.0
CD2 A:HIS718 3.7 68.7 1.0
C21 A:DXU1001 3.7 70.2 1.0
O24 A:DXU1001 3.8 83.5 1.0
C22 A:DXU1001 3.8 82.6 1.0
ND2 A:ASN739 3.9 35.6 1.0
C31 A:DXU1001 4.1 0.0 1.0
C33 A:DXU1001 4.2 0.1 1.0
C23 A:DXU1001 4.4 80.0 1.0
O A:HIS718 4.5 35.1 1.0
CH2 A:TRP791 4.5 46.6 1.0
ND1 A:HIS718 4.5 68.6 1.0
CG A:HIS718 4.6 59.8 1.0
C32 A:DXU1001 4.7 0.5 1.0
CZ3 A:TRP791 4.7 50.6 1.0
O A:HOH1222 4.7 54.1 1.0
C27 A:DXU1001 4.9 75.0 1.0
N2 A:DXU1001 4.9 54.8 1.0

Chlorine binding site 2 out of 4 in 4r23

Go back to Chlorine Binding Sites List in 4r23
Chlorine binding site 2 out of 4 in the Structure of A Putative Peptidoglycan Glycosyltransferase From Atopobium Parvulum in Complex with Dicloxacillin


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 Dicloxacillin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1001

b:0.5
occ:1.00
 CL2 A:DXU1001 0.0 0.5 1.0
C33 A:DXU1001 1.8 0.1 1.0
O A:THR893 2.7 41.0 1.0
C32 A:DXU1001 2.7 0.5 1.0
C28 A:DXU1001 2.8 96.5 1.0
C26 A:DXU1001 3.3 85.8 1.0
CA A:GLY681 3.3 28.6 1.0
C22 A:DXU1001 3.5 82.6 1.0
CD2 A:LEU796 3.5 53.5 1.0
CA A:ALA894 3.5 40.7 1.0
C A:THR893 3.7 38.3 1.0
N2 A:DXU1001 3.7 54.8 1.0
CG A:LEU796 3.8 52.3 1.0
CB A:ALA894 3.9 42.1 1.0
O1 A:DXU1001 3.9 35.7 1.0
C21 A:DXU1001 4.0 70.2 1.0
C31 A:DXU1001 4.0 0.0 1.0
N A:ALA894 4.1 37.3 1.0
C29 A:DXU1001 4.2 0.3 1.0
N25 A:DXU1001 4.2 88.5 1.0
C1 A:DXU1001 4.2 50.8 1.0
C A:GLY681 4.3 27.9 1.0
N A:GLY681 4.3 27.4 1.0
N A:SER682 4.4 27.6 1.0
C30 A:DXU1001 4.6 0.5 1.0
N A:ASP895 4.6 56.7 1.0
C2 A:DXU1001 4.6 53.8 1.0
O A:CYS794 4.6 29.4 1.0
C A:ALA894 4.6 48.1 1.0
C23 A:DXU1001 4.7 80.0 1.0
CB A:LEU796 4.8 36.7 1.0
CD1 A:LEU796 4.9 54.3 1.0
O A:GLY795 4.9 28.0 1.0
O21 A:DXU1001 4.9 53.4 1.0
N A:THR893 5.0 30.3 1.0
CA A:THR893 5.0 33.9 1.0

Chlorine binding site 3 out of 4 in 4r23

Go back to Chlorine Binding Sites List in 4r23
Chlorine binding site 3 out of 4 in the Structure of A Putative Peptidoglycan Glycosyltransferase From Atopobium Parvulum in Complex with Dicloxacillin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of A Putative Peptidoglycan Glycosyltransferase From Atopobium Parvulum in Complex with Dicloxacillin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1001

b:87.1
occ:1.00
 CL1 B:DXU1001 0.0 87.1 1.0
C29 B:DXU1001 1.8 95.3 1.0
C30 B:DXU1001 2.8 95.4 1.0
C28 B:DXU1001 2.9 90.3 1.0
NE2 B:HIS718 3.0 69.2 1.0
C26 B:DXU1001 3.0 81.2 1.0
O21 B:DXU1001 3.2 56.5 1.0
N25 B:DXU1001 3.3 81.8 1.0
CD2 B:HIS718 3.6 68.5 1.0
CE1 B:HIS718 3.8 70.2 1.0
C21 B:DXU1001 3.8 70.3 1.0
ND2 B:ASN739 3.8 38.9 1.0
O24 B:DXU1001 3.9 82.7 1.0
C22 B:DXU1001 3.9 80.3 1.0
C31 B:DXU1001 4.1 94.7 1.0
C33 B:DXU1001 4.2 94.1 1.0
O B:HIS718 4.2 42.3 1.0
O B:HOH1290 4.3 58.0 1.0
CH2 B:TRP791 4.4 53.4 1.0
C23 B:DXU1001 4.5 76.0 1.0
CG B:HIS718 4.6 62.1 1.0
CZ3 B:TRP791 4.6 53.7 1.0
ND1 B:HIS718 4.6 69.0 1.0
C32 B:DXU1001 4.7 91.5 1.0
N2 B:DXU1001 5.0 54.3 1.0
CG B:ASN739 5.0 36.5 1.0

Chlorine binding site 4 out of 4 in 4r23

Go back to Chlorine Binding Sites List in 4r23
Chlorine binding site 4 out of 4 in the Structure of A Putative Peptidoglycan Glycosyltransferase From Atopobium Parvulum in Complex with Dicloxacillin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of A Putative Peptidoglycan Glycosyltransferase From Atopobium Parvulum in Complex with Dicloxacillin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1001

b:0.9
occ:1.00
 CL2 B:DXU1001 0.0 0.9 1.0
C33 B:DXU1001 1.8 94.1 1.0
C32 B:DXU1001 2.7 91.5 1.0
C28 B:DXU1001 2.9 90.3 1.0
O B:THR893 2.9 43.3 1.0
CA B:GLY681 3.2 32.0 1.0
C26 B:DXU1001 3.3 81.2 1.0
C22 B:DXU1001 3.5 80.3 1.0
O B:HOH1289 3.7 58.1 1.0
N2 B:DXU1001 3.7 54.3 1.0
O1 B:DXU1001 3.8 36.0 1.0
CA B:ALA894 3.8 40.5 1.0
C B:THR893 3.9 40.1 1.0
CD1 B:LEU796 4.0 61.3 1.0
C31 B:DXU1001 4.0 94.7 1.0
C21 B:DXU1001 4.0 70.3 1.0
C1 B:DXU1001 4.1 49.9 1.0
CB B:ALA894 4.1 39.4 1.0
C B:GLY681 4.1 31.6 1.0
C29 B:DXU1001 4.2 95.3 1.0
N B:SER682 4.2 30.3 1.0
N B:GLY681 4.3 32.1 1.0
N25 B:DXU1001 4.3 81.8 1.0
N B:ALA894 4.3 37.8 1.0
O B:CYS794 4.5 32.6 1.0
C30 B:DXU1001 4.6 95.4 1.0
C2 B:DXU1001 4.6 51.6 1.0
C23 B:DXU1001 4.7 76.0 1.0
CB B:LEU796 4.8 42.3 1.0
O21 B:DXU1001 4.9 56.5 1.0
O B:GLY795 4.9 29.4 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 Dicloxacillin To Be Published.
Page generated: Sat Dec 12 11:10:35 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy