Chlorine in PDB 8jk3: Crystal Structure of Bel-1 Extended Spectrum Beta-Lactamase in Hexagonal Form

Enzymatic activity of Crystal Structure of Bel-1 Extended Spectrum Beta-Lactamase in Hexagonal Form

All present enzymatic activity of Crystal Structure of Bel-1 Extended Spectrum Beta-Lactamase in Hexagonal Form:
3.5.2.6;

Protein crystallography data

The structure of Crystal Structure of Bel-1 Extended Spectrum Beta-Lactamase in Hexagonal Form, PDB code: 8jk3 was solved by K.Dhankhar, S.Hazra, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.13 / 1.50
Space group P 65
Cell size a, b, c (Å), α, β, γ (°) 121.192, 121.192, 72.128, 90, 90, 120
R / Rfree (%) 15 / 20.9

Other elements in 8jk3:

The structure of Crystal Structure of Bel-1 Extended Spectrum Beta-Lactamase in Hexagonal Form also contains other interesting chemical elements:

Magnesium (Mg) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Bel-1 Extended Spectrum Beta-Lactamase in Hexagonal Form (pdb code 8jk3). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Bel-1 Extended Spectrum Beta-Lactamase in Hexagonal Form, PDB code: 8jk3:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 8jk3

Go back to Chlorine Binding Sites List in 8jk3
Chlorine binding site 1 out of 4 in the Crystal Structure of Bel-1 Extended Spectrum Beta-Lactamase in Hexagonal Form


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 Bel-1 Extended Spectrum Beta-Lactamase in Hexagonal Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl307

b:29.8
occ:1.00
 H A:ALA78 2.1 13.1 1.0
HZ2 A:LYS82 2.2 21.9 1.0
O B:HOH670 2.6 24.6 1.0
O A:HOH604 2.7 28.6 1.0
HD2 A:LYS82 2.9 17.8 1.0
HA A:TYR77 2.9 13.7 1.0
N A:ALA78 3.0 12.9 1.0
NZ A:LYS82 3.1 22.1 1.0
HA A:PRO79 3.2 13.1 1.0
O A:GLU76 3.3 18.0 1.0
HD3 A:PRO79 3.3 13.4 1.0
N A:PRO79 3.5 13.5 1.0
HE3 A:LYS82 3.6 20.3 1.0
HZ1 A:LYS82 3.6 21.7 1.0
HZ3 A:LYS82 3.6 21.9 1.0
CE A:LYS82 3.6 20.8 1.0
CD A:LYS82 3.6 18.0 1.0
C A:ALA78 3.7 13.0 1.0
CA A:TYR77 3.7 13.8 1.0
CA A:PRO79 3.8 12.5 1.0
HB3 A:PRO79 3.8 14.5 1.0
O A:HOH615 3.9 39.3 1.0
HD1 A:TYR77 3.9 15.0 1.0
C A:TYR77 3.9 14.2 1.0
CD A:PRO79 3.9 13.0 1.0
CA A:ALA78 4.0 13.1 1.0
HD3 A:LYS82 4.1 18.1 1.0
O A:ALA78 4.1 13.6 1.0
C A:GLU76 4.2 15.3 1.0
CD1 A:TYR77 4.2 14.8 1.0
CB A:PRO79 4.3 14.8 1.0
N A:TYR77 4.5 12.9 1.0
HB3 A:ALA78 4.5 14.7 1.0
HE2 A:LYS82 4.6 20.4 1.0
HD2 A:PRO79 4.6 13.3 1.0
O A:HOH553 4.7 51.9 1.0
HA A:ALA78 4.7 13.3 1.0
CG A:PRO79 4.7 16.0 1.0
CG A:TYR77 4.8 14.9 1.0
HG3 A:LYS82 4.8 16.0 1.0
CE1 A:TYR77 4.8 15.7 1.0
HE1 A:TYR77 4.8 15.5 1.0
CB A:ALA78 4.8 15.2 1.0
CB A:TYR77 4.8 14.7 1.0
CG A:LYS82 4.8 15.8 1.0
O B:HOH520 4.9 15.3 1.0
HG3 A:PRO79 4.9 15.1 1.0
O A:HOH492 4.9 52.1 1.0
HB2 A:LYS82 5.0 15.0 1.0

Chlorine binding site 2 out of 4 in 8jk3

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Chlorine binding site 2 out of 4 in the Crystal Structure of Bel-1 Extended Spectrum Beta-Lactamase in Hexagonal Form


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 Bel-1 Extended Spectrum Beta-Lactamase in Hexagonal Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl305

b:48.7
occ:1.00
 MG B:MG302 2.1 44.9 1.0
O B:HOH695 2.8 39.2 1.0
HD11 B:LEU183 3.0 19.2 1.0
HG22 B:THR93 3.1 25.2 1.0
O B:HOH532 3.1 30.4 1.0
HD23 B:LEU53 3.4 18.3 1.0
HB3 B:GLN179 3.5 18.0 1.0
HD12 B:ILE96 3.7 18.0 1.0
OE1 B:GLN179 3.7 28.4 1.0
HG1 B:THR93 3.7 30.0 0.0
CD1 B:LEU183 3.9 19.6 1.0
HD13 B:LEU183 4.0 19.4 1.0
HA B:THR93 4.0 17.4 1.0
HG23 B:ILE96 4.0 15.1 1.0
CG2 B:THR93 4.0 25.7 1.0
HD12 B:LEU183 4.2 19.4 1.0
CD B:GLN179 4.3 23.3 1.0
CD2 B:LEU53 4.3 18.8 1.0
HD11 B:ILE96 4.3 18.1 1.0
HB B:ILE96 4.3 14.5 1.0
CB B:GLN179 4.4 17.6 1.0
HG21 B:THR93 4.4 25.1 1.0
CD1 B:ILE96 4.4 19.1 1.0
OG1 B:THR93 4.5 25.4 1.0
HG22 B:ILE96 4.5 15.1 1.0
HD21 B:LEU53 4.5 18.3 1.0
HG23 B:THR93 4.6 24.9 1.0
HB2 B:GLN179 4.6 17.7 1.0
CG2 B:ILE96 4.6 15.3 1.0
HD22 B:LEU53 4.7 18.5 1.0
CB B:THR93 4.7 23.1 1.0
HD23 B:LEU183 4.7 21.8 1.0
O B:HOH556 4.7 35.3 1.0
HG2 B:GLN179 4.7 19.3 1.0
CG B:GLN179 4.7 19.0 1.0
CA B:THR93 4.8 17.0 1.0
HD11 B:LEU53 4.9 19.0 1.0
HG B:LEU183 4.9 18.5 1.0
HB3 B:PRO63 4.9 24.7 1.0
CB B:ILE96 5.0 14.3 1.0
NE2 B:GLN179 5.0 28.2 1.0
CG B:LEU183 5.0 18.6 1.0

Chlorine binding site 3 out of 4 in 8jk3

Go back to Chlorine Binding Sites List in 8jk3
Chlorine binding site 3 out of 4 in the Crystal Structure of Bel-1 Extended Spectrum Beta-Lactamase in Hexagonal Form


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 Bel-1 Extended Spectrum Beta-Lactamase in Hexagonal Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl306

b:57.3
occ:1.00
 MG B:MG303 2.0 55.1 1.0
CL B:CL307 2.6 27.5 1.0
MG B:MG304 3.0 38.0 1.0
O B:HOH688 3.2 35.0 1.0
HG21 B:THR189 3.6 14.6 1.0
HB3 B:SER103 3.8 14.9 1.0
O B:HOH667 4.0 49.9 1.0
HB B:THR189 4.0 14.8 1.0
O B:HOH636 4.0 25.3 1.0
HB2 B:SER103 4.2 14.9 1.0
HB2 B:SER210 4.2 25.2 1.0
O B:HOH514 4.2 25.1 1.0
CB B:SER103 4.4 14.8 1.0
CG2 B:THR189 4.4 14.5 1.0
HB3 B:SER210 4.5 25.6 1.0
O B:HOH575 4.6 46.5 1.0
HG23 B:THR189 4.6 14.7 1.0
O B:HOH685 4.6 39.2 1.0
CB B:THR189 4.7 15.2 1.0
O B:HOH619 4.7 35.4 1.0
OG B:SER103 4.8 17.3 1.0
CB B:SER210 4.8 24.9 1.0
OG1 B:THR208 4.8 14.8 1.0
O B:LEU102 5.0 15.5 1.0
HE2 B:TYR77 5.0 15.4 1.0

Chlorine binding site 4 out of 4 in 8jk3

Go back to Chlorine Binding Sites List in 8jk3
Chlorine binding site 4 out of 4 in the Crystal Structure of Bel-1 Extended Spectrum Beta-Lactamase in Hexagonal Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Bel-1 Extended Spectrum Beta-Lactamase in Hexagonal Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl307

b:27.5
occ:1.00
 MG B:MG304 1.7 38.0 1.0
CL B:CL306 2.6 57.3 1.0
HA2 B:GLY209 3.3 15.6 1.0
OG1 B:THR208 3.3 14.8 1.0
O B:HOH636 3.4 25.3 1.0
HB2 B:SER210 3.5 25.2 1.0
HB2 B:SER42 3.5 18.0 1.0
HG B:SER103 3.6 30.0 0.0
HZ3 B:LYS207 3.6 14.6 1.0
OG B:SER103 3.7 17.3 1.0
HB2 B:SER103 3.7 14.9 1.0
HB B:THR208 3.7 15.2 1.0
O B:THR208 3.8 15.1 1.0
HG1 B:THR208 3.9 30.0 0.0
HB3 B:SER103 3.9 14.9 1.0
C B:THR208 3.9 16.1 1.0
CA B:GLY209 3.9 15.3 1.0
HZ2 B:LYS207 3.9 14.6 1.0
H B:SER210 3.9 19.3 1.0
HZ1 B:LYS207 4.0 14.7 1.0
CB B:SER103 4.0 14.8 1.0
N B:GLY209 4.0 15.7 1.0
CB B:THR208 4.0 15.6 1.0
HB3 B:SER210 4.0 25.6 1.0
O B:HOH465 4.0 25.4 1.0
NZ B:LYS207 4.0 14.8 1.0
N B:SER210 4.1 19.7 1.0
HG B:SER42 4.2 30.0 0.0
CB B:SER210 4.2 24.9 1.0
C B:GLY209 4.2 17.1 1.0
CB B:SER42 4.3 17.2 1.0
HB3 B:SER42 4.4 17.7 1.0
HG21 B:THR189 4.4 14.6 1.0
HB B:THR189 4.4 14.8 1.0
OG B:SER42 4.5 20.0 1.0
H B:GLY209 4.6 15.7 1.0
MG B:MG303 4.6 55.1 1.0
CA B:THR208 4.6 13.6 1.0
O B:HOH514 4.6 25.1 1.0
O B:HOH619 4.7 35.4 1.0
OG1 B:THR189 4.8 13.8 1.0
HA3 B:GLY209 4.8 15.4 1.0
O B:GLY209 4.8 18.9 1.0
O B:HOH513 4.9 19.3 1.0
CA B:SER210 4.9 22.5 1.0
CB B:THR189 5.0 15.2 1.0

Reference:

K.Dhankhar, S.Hazra. Crystal Structure of Bel-1 Esbl in Hexagonal Form To Be Published.
Page generated: Tue Jul 30 11:00:12 2024

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