Atomistry » Bromine » PDB 6rqb-6ts9 » 6ts9
Atomistry »
  Bromine »
    PDB 6rqb-6ts9 »
      6ts9 »

Bromine in PDB 6ts9: Crystal Structure of Ges-5 Carbapenemase

Enzymatic activity of Crystal Structure of Ges-5 Carbapenemase

All present enzymatic activity of Crystal Structure of Ges-5 Carbapenemase:
3.5.2.6;

Protein crystallography data

The structure of Crystal Structure of Ges-5 Carbapenemase, PDB code: 6ts9 was solved by L.Maso, D.Tondi, R.Klein, M.Montanari, C.Bellio, G.Celenza, R.Brenk, L.Cendron, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 55.33 / 1.55
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 76.300, 80.360, 87.850, 90.00, 90.00, 90.00
R / Rfree (%) 18 / 20.4

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of Ges-5 Carbapenemase (pdb code 6ts9). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 4 binding sites of Bromine where determined in the Crystal Structure of Ges-5 Carbapenemase, PDB code: 6ts9:
Jump to Bromine binding site number: 1; 2; 3; 4;

Bromine binding site 1 out of 4 in 6ts9

Go back to Bromine Binding Sites List in 6ts9
Bromine binding site 1 out of 4 in the Crystal Structure of Ges-5 Carbapenemase


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of Ges-5 Carbapenemase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br302

b:30.0
occ:1.00
N A:ALA57 3.4 17.1 1.0
CA A:ARG55 3.6 16.9 1.0
N A:MET56 3.7 16.3 1.0
N A:GLN58 3.8 15.2 1.0
C A:ARG55 3.8 15.5 1.0
C A:ALA57 3.9 15.5 1.0
CA A:ALA57 4.0 14.8 1.0
CB A:ALA57 4.1 15.9 1.0
C A:MET56 4.5 18.0 1.0
N A:ARG55 4.6 17.7 1.0
O A:ALA57 4.6 18.0 1.0
O A:ARG55 4.6 18.7 1.0
CA A:GLN58 4.6 13.7 1.0
CB A:ARG55 4.7 16.9 1.0
CA A:MET56 4.7 18.3 1.0
CB A:GLN58 4.7 15.5 1.0

Bromine binding site 2 out of 4 in 6ts9

Go back to Bromine Binding Sites List in 6ts9
Bromine binding site 2 out of 4 in the Crystal Structure of Ges-5 Carbapenemase


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of Ges-5 Carbapenemase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br303

b:30.0
occ:1.00
O A:HOH419 2.6 40.3 1.0
O A:HOH409 2.8 43.5 1.0
N A:LYS88 3.2 15.9 1.0
NH2 A:ARG84 3.6 40.6 0.5
CA A:ARG87 3.7 18.6 1.0
CG A:LYS88 4.0 18.4 1.0
C A:ARG87 4.0 16.2 1.0
CB A:LYS88 4.0 16.8 1.0
O A:ASP86 4.0 19.2 0.5
O A:HOH650 4.1 39.9 1.0
CG A:ARG87 4.1 19.1 1.0
CA A:LYS88 4.2 16.2 1.0
O A:ASP86 4.3 18.3 0.5
NH1 A:ARG84 4.3 38.0 0.5
CZ A:ARG84 4.4 37.1 0.5
CB A:ARG87 4.5 18.4 1.0
NZ A:LYS88 4.5 27.4 1.0
CD A:LYS88 4.6 21.6 1.0
N A:ARG87 4.7 20.4 1.0
C A:ASP86 4.8 19.2 0.5
O A:HOH550 4.8 22.0 1.0
C A:ASP86 4.8 18.2 0.5
O A:LYS88 4.8 19.1 1.0

Bromine binding site 3 out of 4 in 6ts9

Go back to Bromine Binding Sites List in 6ts9
Bromine binding site 3 out of 4 in the Crystal Structure of Ges-5 Carbapenemase


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Crystal Structure of Ges-5 Carbapenemase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br303

b:30.0
occ:1.00
O B:HOH641 3.0 33.1 1.0
OG1 B:THR177 3.1 21.8 1.0
CG2 B:THR177 3.7 20.6 1.0
CG2 B:ILE179 3.8 18.5 1.0
CB B:THR177 3.8 19.9 1.0
CG2 B:VAL154 3.9 28.4 1.0
CA B:ALA57 4.3 22.2 1.0
CB B:ALA57 4.3 26.9 1.0
CG1 B:VAL154 4.5 27.7 1.0
O B:ALA57 4.6 30.3 1.0
CB B:VAL154 4.7 24.7 1.0
O B:MET56 4.8 22.9 1.0
CB B:ALA180 4.8 20.2 1.0
C B:ALA57 4.9 23.6 1.0
N B:ALA180 4.9 19.7 1.0

Bromine binding site 4 out of 4 in 6ts9

Go back to Bromine Binding Sites List in 6ts9
Bromine binding site 4 out of 4 in the Crystal Structure of Ges-5 Carbapenemase


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Crystal Structure of Ges-5 Carbapenemase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br304

b:30.0
occ:1.00
O B:HOH629 3.0 37.0 1.0
CE B:MET56 3.4 39.4 1.0
N B:MET56 3.5 21.9 1.0
N B:ARG55 3.6 23.4 1.0
CA B:HIS54 3.8 21.3 1.0
N B:HIS54 3.8 19.9 1.0
O B:GLY53 3.9 26.6 1.0
C B:GLY53 3.9 20.8 1.0
CG B:MET56 3.9 31.2 1.0
C B:HIS54 3.9 22.3 1.0
O B:HOH609 3.9 45.5 1.0
CB B:MET56 4.0 29.1 1.0
CA B:MET56 4.3 23.0 1.0
CA B:ARG55 4.3 23.3 1.0
SD B:MET56 4.4 38.9 1.0
C B:ARG55 4.4 20.0 1.0
CA B:GLY53 4.7 24.4 1.0
O B:HOH601 4.7 17.0 1.0
O B:HIS54 4.7 19.8 1.0

Reference:

R.Klein, L.Cendron, M.Montanari, P.Bellio, G.Celenza, L.Maso, D.Tondi, R.Brenk. Targeting the Class A Carbapenemase Ges-5 Via Virtual Screening. Biomolecules V. 10 2020.
ISSN: ESSN 2218-273X
PubMed: 32075131
DOI: 10.3390/BIOM10020304
Page generated: Thu Jul 11 02:48:34 2024

Last articles

Cl in 4NHT
Cl in 4NO7
Cl in 4NML
Cl in 4NN3
Cl in 4NMW
Cl in 4NM7
Cl in 4NM5
Cl in 4NM3
Cl in 4NM0
Cl in 4NHQ
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy