Atomistry » Chlorine » PDB 4e0j-4e9v » 4e3m
Atomistry »
  Chlorine »
    PDB 4e0j-4e9v »
      4e3m »

Chlorine in PDB 4e3m: Crystal Structure of Ampc Beta-Lactamase in Complex with A 2-Chloro-4- Tetrazolyl Benzene Sulfonamide Boronic Acid Inhibitor

Enzymatic activity of Crystal Structure of Ampc Beta-Lactamase in Complex with A 2-Chloro-4- Tetrazolyl Benzene Sulfonamide Boronic Acid Inhibitor

All present enzymatic activity of Crystal Structure of Ampc Beta-Lactamase in Complex with A 2-Chloro-4- Tetrazolyl Benzene Sulfonamide Boronic Acid Inhibitor:
3.5.2.6;

Protein crystallography data

The structure of Crystal Structure of Ampc Beta-Lactamase in Complex with A 2-Chloro-4- Tetrazolyl Benzene Sulfonamide Boronic Acid Inhibitor, PDB code: 4e3m 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) 29.52 / 1.44
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 118.120, 76.920, 97.600, 90.00, 116.37, 90.00
R / Rfree (%) 16.1 / 19.3

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Ampc Beta-Lactamase in Complex with A 2-Chloro-4- Tetrazolyl Benzene Sulfonamide Boronic Acid Inhibitor (pdb code 4e3m). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Ampc Beta-Lactamase in Complex with A 2-Chloro-4- Tetrazolyl Benzene Sulfonamide Boronic Acid Inhibitor, PDB code: 4e3m:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 4e3m

Go back to Chlorine Binding Sites List in 4e3m
Chlorine binding site 1 out of 3 in the Crystal Structure of Ampc Beta-Lactamase in Complex with A 2-Chloro-4- Tetrazolyl Benzene 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 2-Chloro-4- Tetrazolyl Benzene Sulfonamide Boronic Acid Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:18.2
occ:1.00
 CL2 A:0ND401 0.0 18.2 1.0
C21 A:0ND401 1.7 16.2 1.0
C20 A:0ND401 2.7 15.7 1.0
C11 A:0ND401 2.7 14.6 1.0
O10 A:0ND401 3.2 16.9 1.0
S08 A:0ND401 3.2 15.9 1.0
N07 A:0ND401 3.4 13.8 1.0
O A:ALA318 3.6 12.2 1.0
O A:HOH784 3.6 29.2 1.0
CB A:ALA318 3.8 13.8 1.0
C A:ALA318 4.0 10.8 1.0
C14 A:0ND401 4.0 15.8 1.0
C12 A:0ND401 4.0 15.4 1.0
CA A:THR319 4.2 11.0 1.0
C A:THR319 4.3 12.9 1.0
N A:THR319 4.4 12.1 1.0
ND2 A:ASN343 4.5 17.7 1.0
C13 A:0ND401 4.5 15.3 1.0
CA A:ALA318 4.5 12.0 1.0
C06 A:0ND401 4.5 13.2 1.0
O A:THR319 4.6 13.3 1.0
O09 A:0ND401 4.6 17.2 1.0
O04 A:0ND401 4.7 13.2 1.0
N A:GLY320 4.8 12.7 1.0

Chlorine binding site 2 out of 3 in 4e3m

Go back to Chlorine Binding Sites List in 4e3m
Chlorine binding site 2 out of 3 in the Crystal Structure of Ampc Beta-Lactamase in Complex with A 2-Chloro-4- Tetrazolyl Benzene 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 2-Chloro-4- Tetrazolyl Benzene Sulfonamide Boronic Acid Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl402

b:29.2
occ:1.00
 CL2 A:0ND402 0.0 29.2 1.0
C21 A:0ND402 1.7 26.5 1.0
C20 A:0ND402 2.7 28.1 1.0
C11 A:0ND402 2.7 24.8 1.0
S08 A:0ND402 3.2 24.5 1.0
OG B:SER257 3.2 18.8 1.0
N07 A:0ND402 3.3 22.5 1.0
O10 A:0ND402 3.3 26.5 1.0
CA B:PRO306 3.4 15.3 1.0
O B:PRO304 3.5 18.1 1.0
N B:PRO306 3.5 15.6 1.0
CB B:SER257 3.7 14.1 1.0
CG B:PRO306 3.7 17.6 1.0
C B:THR305 3.7 14.6 1.0
O B:THR305 3.9 15.2 1.0
CD B:PRO306 3.9 17.7 1.0
CB B:PRO306 3.9 15.2 1.0
C14 A:0ND402 4.0 28.8 1.0
C12 A:0ND402 4.0 25.1 1.0
C B:PRO304 4.0 16.2 1.0
CB B:PRO304 4.1 16.9 1.0
C06 A:0ND402 4.2 22.9 1.0
O05 A:0ND402 4.4 20.1 1.0
C13 A:0ND402 4.5 26.3 1.0
N B:THR305 4.6 13.7 1.0
B03 A:0ND402 4.6 23.0 1.0
O A:HOH576 4.6 28.3 1.0
CA B:THR305 4.6 14.8 1.0
O09 A:0ND402 4.6 27.9 1.0
CA B:PRO304 4.7 15.6 1.0
C B:PRO306 4.8 14.6 1.0
O B:HOH554 4.8 29.5 1.0
CA B:SER257 4.9 12.5 1.0

Chlorine binding site 3 out of 3 in 4e3m

Go back to Chlorine Binding Sites List in 4e3m
Chlorine binding site 3 out of 3 in the Crystal Structure of Ampc Beta-Lactamase in Complex with A 2-Chloro-4- Tetrazolyl Benzene Sulfonamide Boronic Acid Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Ampc Beta-Lactamase in Complex with A 2-Chloro-4- Tetrazolyl Benzene Sulfonamide Boronic Acid Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl401

b:25.1
occ:1.00
 CL2 B:0ND401 0.0 25.1 1.0
C21 B:0ND401 1.7 23.0 1.0
C20 B:0ND401 2.7 23.1 1.0
C11 B:0ND401 2.7 21.3 1.0
O10 B:0ND401 3.2 24.5 1.0
S08 B:0ND401 3.3 21.9 1.0
N07 B:0ND401 3.5 19.6 1.0
O B:ALA318 3.6 18.7 1.0
O B:HOH755 3.7 37.7 1.0
CB B:ALA318 3.8 18.9 1.0
C B:ALA318 3.9 17.8 1.0
C14 B:0ND401 4.0 22.6 1.0
C12 B:0ND401 4.0 22.0 1.0
CA B:THR319 4.2 19.6 1.0
C B:THR319 4.4 20.6 1.0
N B:THR319 4.4 18.5 1.0
C13 B:0ND401 4.5 21.5 1.0
CA B:ALA318 4.5 17.2 1.0
C06 B:0ND401 4.6 18.4 1.0
ND2 B:ASN343 4.6 24.6 1.0
O B:THR319 4.6 22.8 1.0
O04 B:0ND401 4.6 18.2 1.0
O09 B:0ND401 4.7 21.3 1.0
O B:HOH760 4.7 34.1 1.0
N B:GLY320 4.8 22.2 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 14:36:57 2025

Last articles

Cl in 4RLS
Cl in 4RKQ
Cl in 4RLI
Cl in 4RJT
Cl in 4RJZ
Cl in 4RK2
Cl in 4REU
Cl in 4RIT
Cl in 4RJD
Cl in 4RJ7
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy