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Chlorine in PDB 1l2s: X-Ray Crystal Structure of Ampc Beta-Lactamase From E. Coli in Complex with A Dock-Predicted Non-Covalent Inhibitor

Enzymatic activity of X-Ray Crystal Structure of Ampc Beta-Lactamase From E. Coli in Complex with A Dock-Predicted Non-Covalent Inhibitor

All present enzymatic activity of X-Ray Crystal Structure of Ampc Beta-Lactamase From E. Coli in Complex with A Dock-Predicted Non-Covalent Inhibitor:
3.5.2.6;

Protein crystallography data

The structure of X-Ray Crystal Structure of Ampc Beta-Lactamase From E. Coli in Complex with A Dock-Predicted Non-Covalent Inhibitor, PDB code: 1l2s was solved by R.A.Powers, F.Morandi, B.K.Shoichet, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.94
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 118.670, 76.420, 97.900, 90.00, 116.63, 90.00
R / Rfree (%) 17.3 / 20.7

Chlorine Binding Sites:

The binding sites of Chlorine atom in the X-Ray Crystal Structure of Ampc Beta-Lactamase From E. Coli in Complex with A Dock-Predicted Non-Covalent Inhibitor (pdb code 1l2s). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the X-Ray Crystal Structure of Ampc Beta-Lactamase From E. Coli in Complex with A Dock-Predicted Non-Covalent Inhibitor, PDB code: 1l2s:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 1l2s

Go back to Chlorine Binding Sites List in 1l2s
Chlorine binding site 1 out of 3 in the X-Ray Crystal Structure of Ampc Beta-Lactamase From E. Coli in Complex with A Dock-Predicted Non-Covalent Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Crystal Structure of Ampc Beta-Lactamase From E. Coli in Complex with A Dock-Predicted Non-Covalent Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1115

b:40.5
occ:1.00
 CL8 A:STC1115 0.0 40.5 1.0
C7 A:STC1115 1.7 33.7 1.0
C5 A:STC1115 2.7 33.6 1.0
C6 A:STC1115 2.7 34.2 1.0
N A:GLY320 3.6 18.5 1.0
CA A:GLY320 3.9 18.4 1.0
O A:HOH665 3.9 34.8 1.0
C3 A:STC1115 4.0 31.3 1.0
C4 A:STC1115 4.0 30.8 1.0
O A:HOH741 4.1 41.0 1.0
O A:HOH715 4.1 57.0 1.0
C A:THR319 4.5 18.6 1.0
C2 A:STC1115 4.5 30.2 1.0
CA A:THR319 4.9 18.7 1.0

Chlorine binding site 2 out of 3 in 1l2s

Go back to Chlorine Binding Sites List in 1l2s
Chlorine binding site 2 out of 3 in the X-Ray Crystal Structure of Ampc Beta-Lactamase From E. Coli in Complex with A Dock-Predicted Non-Covalent Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Crystal Structure of Ampc Beta-Lactamase From E. Coli in Complex with A Dock-Predicted Non-Covalent Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl2115

b:50.8
occ:1.00
 CL8 B:STC2115 0.0 50.8 1.0
C7 B:STC2115 1.7 42.5 1.0
C5 B:STC2115 2.7 41.6 1.0
C6 B:STC2115 2.7 42.2 1.0
N B:GLY320 3.6 21.4 1.0
CA B:GLY320 3.7 22.6 1.0
C3 B:STC2115 4.1 38.3 1.0
C4 B:STC2115 4.1 39.4 1.0
NH1 B:ARG204 4.2 52.2 1.0
C B:THR319 4.3 21.1 1.0
C2 B:STC2115 4.6 38.7 1.0
CA B:THR319 4.9 21.3 1.0

Chlorine binding site 3 out of 3 in 1l2s

Go back to Chlorine Binding Sites List in 1l2s
Chlorine binding site 3 out of 3 in the X-Ray Crystal Structure of Ampc Beta-Lactamase From E. Coli in Complex with A Dock-Predicted Non-Covalent Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of X-Ray Crystal Structure of Ampc Beta-Lactamase From E. Coli in Complex with A Dock-Predicted Non-Covalent Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl3115

b:39.6
occ:1.00
 CL8 B:STC3115 0.0 39.6 1.0
C7 B:STC3115 1.7 38.8 1.0
C6 B:STC3115 2.7 39.2 1.0
C5 B:STC3115 2.7 38.0 1.0
NE2 A:GLN250 3.1 33.1 1.0
CD A:GLN250 3.4 32.3 1.0
CB B:PRO306 3.7 19.6 1.0
CB A:GLN250 3.7 23.2 1.0
CB A:ALA79 3.8 21.8 1.0
CG A:GLN250 3.8 28.3 1.0
CA A:ALA79 3.8 21.6 1.0
C4 B:STC3115 4.0 39.4 1.0
C3 B:STC3115 4.0 36.3 1.0
OE1 A:GLN250 4.1 34.1 1.0
CG B:PRO306 4.3 21.0 1.0
C2 B:STC3115 4.5 38.9 1.0
O A:ALA79 4.6 20.0 1.0
C A:ALA79 4.8 21.8 1.0
N A:ALA79 4.8 19.8 1.0
CD1 A:LEU254 4.8 16.4 1.0
CA A:GLN250 5.0 19.5 1.0

Reference:

R.A.Powers, F.Morandi, B.K.Shoichet. Structure-Based Discovery of A Novel, Noncovalent Inhibitor of Ampc Beta-Lactamase. Structure V. 10 1013 2002.
ISSN: ISSN 0969-2126
PubMed: 12121656
DOI: 10.1016/S0969-2126(02)00799-2
Page generated: Fri Jul 19 23:34:17 2024

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