Atomistry » Chlorine » PDB 4e0j-4e9v » 4e3o
Atomistry »
  Chlorine »
    PDB 4e0j-4e9v »
      4e3o »

Chlorine in PDB 4e3o: Crystal Structure of Ampc Beta-Lactamase in Complex with A Small Chloromethyl Sulfonamide Boronic Acid Inhibitor

Enzymatic activity of Crystal Structure of Ampc Beta-Lactamase in Complex with A Small Chloromethyl Sulfonamide Boronic Acid Inhibitor

All present enzymatic activity of Crystal Structure of Ampc Beta-Lactamase in Complex with A Small Chloromethyl Sulfonamide Boronic Acid Inhibitor:
3.5.2.6;

Protein crystallography data

The structure of Crystal Structure of Ampc Beta-Lactamase in Complex with A Small Chloromethyl Sulfonamide Boronic Acid Inhibitor, PDB code: 4e3o was solved by O.Eidam, B.K.Shoichet, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.56 / 1.60
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 118.540, 76.740, 97.880, 90.00, 116.60, 90.00
R / Rfree (%) 16.1 / 18.5

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Ampc Beta-Lactamase in Complex with A Small Chloromethyl Sulfonamide Boronic Acid Inhibitor (pdb code 4e3o). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Ampc Beta-Lactamase in Complex with A Small Chloromethyl Sulfonamide Boronic Acid Inhibitor, PDB code: 4e3o:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 4e3o

Go back to Chlorine Binding Sites List in 4e3o
Chlorine binding site 1 out of 2 in the Crystal Structure of Ampc Beta-Lactamase in Complex with A Small Chloromethyl Sulfonamide Boronic Acid Inhibitor


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 Ampc Beta-Lactamase in Complex with A Small Chloromethyl Sulfonamide Boronic Acid Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:59.9
occ:1.00
CL1 A:0NG401 0.0 59.9 1.0
C11 A:0NG401 1.7 23.0 1.0
S08 A:0NG401 3.0 46.1 1.0
O09 A:0NG401 3.2 51.5 1.0
O10 A:0NG401 3.6 41.8 1.0
O A:HOH665 3.7 35.6 1.0
CD1 A:TYR221 3.8 16.1 1.0
CE1 A:TYR221 3.9 14.6 1.0
CA A:THR319 4.1 15.8 1.0
CG A:TYR221 4.1 16.1 1.0
O A:ALA318 4.2 16.8 1.0
CG2 A:THR319 4.3 14.9 1.0
CB A:THR319 4.3 16.5 1.0
CZ A:TYR221 4.3 16.5 1.0
N07 A:0NG401 4.4 33.9 1.0
CG2 A:VAL211 4.4 20.7 1.0
CD2 A:TYR221 4.5 18.4 1.0
CE2 A:TYR221 4.6 14.6 1.0
O A:HOH805 4.6 42.3 1.0
CB A:TYR221 4.7 13.6 1.0
N A:GLY320 4.8 17.4 1.0
C A:THR319 4.9 20.5 1.0
O A:HOH573 4.9 27.2 1.0

Chlorine binding site 2 out of 2 in 4e3o

Go back to Chlorine Binding Sites List in 4e3o
Chlorine binding site 2 out of 2 in the Crystal Structure of Ampc Beta-Lactamase in Complex with A Small Chloromethyl Sulfonamide Boronic Acid Inhibitor


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 Ampc Beta-Lactamase in Complex with A Small Chloromethyl Sulfonamide Boronic Acid Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl401

b:78.7
occ:1.00
CL1 B:0NG401 0.0 78.7 1.0
C11 B:0NG401 1.7 28.2 1.0
S08 B:0NG401 3.0 39.2 1.0
O09 B:0NG401 3.3 47.0 1.0
O B:HOH677 3.4 43.0 1.0
O10 B:0NG401 3.6 39.4 1.0
CE1 B:TYR221 3.8 24.7 1.0
CD1 B:TYR221 3.9 19.9 1.0
O B:HOH820 4.0 52.4 1.0
CG2 B:VAL211 4.2 25.6 1.0
CZ B:TYR221 4.2 26.0 1.0
CA B:THR319 4.3 23.0 1.0
CG B:TYR221 4.3 20.7 1.0
N07 B:0NG401 4.3 43.1 1.0
CG2 B:THR319 4.4 25.9 1.0
CB B:THR319 4.5 26.2 1.0
O B:HOH596 4.5 30.4 1.0
O B:ALA318 4.5 23.7 1.0
CE2 B:TYR221 4.6 20.5 1.0
CD2 B:TYR221 4.6 22.7 1.0
O B:HOH709 4.7 48.7 1.0
OH B:TYR221 4.8 27.3 1.0
N B:GLY320 4.9 23.9 1.0
O B:HOH819 4.9 49.0 1.0

Reference:

O.Eidam, C.Romagnoli, G.Dalmasso, S.Barelier, E.Caselli, R.Bonnet, B.K.Shoichet, F.Prati. Fragment-Guided Design of Subnanomolar Beta-Lactamase Inhibitors Active in Vivo. Proc.Natl.Acad.Sci.Usa V. 109 17448 2012.
ISSN: ISSN 0027-8424
PubMed: 23043117
DOI: 10.1073/PNAS.1208337109
Page generated: Fri Jul 11 14:37:21 2025

Last articles

Cl in 4OX5
Cl in 4OWC
Cl in 4OTX
Cl in 4OVT
Cl in 4OWD
Cl in 4OVR
Cl in 4OWB
Cl in 4OVS
Cl in 4OVQ
Cl in 4OVH
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy