Chlorine in PDB 7l6z: Crystal Structure of Peptidyl-Prolyl Cis-Trans Isomerasefrom (Ppib) Streptococcus Pneumoniae R6

Enzymatic activity of Crystal Structure of Peptidyl-Prolyl Cis-Trans Isomerasefrom (Ppib) Streptococcus Pneumoniae R6

All present enzymatic activity of Crystal Structure of Peptidyl-Prolyl Cis-Trans Isomerasefrom (Ppib) Streptococcus Pneumoniae R6:
5.2.1.8;

Protein crystallography data

The structure of Crystal Structure of Peptidyl-Prolyl Cis-Trans Isomerasefrom (Ppib) Streptococcus Pneumoniae R6, PDB code: 7l6z was solved by G.Minasov, L.Shuvalova, O.Kiryukhina, I.Dubrovska, K.J.F.Satchell, Centerfor Structural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.97 / 1.88
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 88.432, 156.529, 90.535, 90, 117.18, 90
R / Rfree (%) 17.3 / 21.2

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Peptidyl-Prolyl Cis-Trans Isomerasefrom (Ppib) Streptococcus Pneumoniae R6 (pdb code 7l6z). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Crystal Structure of Peptidyl-Prolyl Cis-Trans Isomerasefrom (Ppib) Streptococcus Pneumoniae R6, PDB code: 7l6z:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 7l6z

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Chlorine binding site 1 out of 8 in the Crystal Structure of Peptidyl-Prolyl Cis-Trans Isomerasefrom (Ppib) Streptococcus Pneumoniae R6


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 Peptidyl-Prolyl Cis-Trans Isomerasefrom (Ppib) Streptococcus Pneumoniae R6 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:36.6
occ:1.00
 O A:HOH571 2.8 37.9 1.0
O A:HOH475 2.9 25.1 0.6
N A:ASN155 3.0 22.2 1.0
N A:ASN177 3.1 26.3 1.0
CA A:LYS154 3.6 24.3 1.0
CA A:PRO176 3.6 29.6 1.0
CG A:ASN155 3.7 25.1 1.0
CB A:ASN155 3.7 24.2 1.0
C A:LYS154 3.8 22.9 1.0
OD1 A:ASN177 3.8 29.3 1.0
C A:PRO176 3.9 28.2 1.0
CA A:ASN155 3.9 23.8 1.0
CB A:PRO176 3.9 31.4 1.0
CB A:LYS154 3.9 26.8 1.0
ND2 A:ASN155 3.9 24.5 1.0
O A:HOH532 4.0 24.2 1.0
O A:HOH475 4.0 27.2 0.4
CA A:ASN177 4.1 26.1 1.0
OD1 A:ASN155 4.1 23.3 1.0
CG A:ASN177 4.3 29.9 1.0
O A:ASN155 4.6 28.8 1.0
O A:HOH567 4.7 40.4 1.0
O A:HOH509 4.8 38.0 1.0
C A:ASN155 4.8 25.9 1.0
O A:HOH594 4.9 50.2 1.0
CB A:ASN177 4.9 27.9 1.0
N A:LYS154 4.9 23.8 1.0
N A:PRO176 4.9 29.1 1.0
O A:PHE153 5.0 21.1 1.0

Chlorine binding site 2 out of 8 in 7l6z

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Chlorine binding site 2 out of 8 in the Crystal Structure of Peptidyl-Prolyl Cis-Trans Isomerasefrom (Ppib) Streptococcus Pneumoniae R6


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 Peptidyl-Prolyl Cis-Trans Isomerasefrom (Ppib) Streptococcus Pneumoniae R6 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:48.4
occ:0.50
 CL A:CL302 0.0 48.4 0.5
CL A:CL302 1.8 49.4 0.5
O A:HOH522 3.4 26.9 1.0
O A:GLN64 3.9 24.0 1.0
CD1 A:ILE164 3.9 20.2 1.0
O A:HOH563 4.0 44.0 1.0
CD2 A:LEU65 4.0 29.4 1.0
O A:HOH495 4.3 34.0 1.0
CA A:LEU65 4.4 26.3 1.0
NE2 A:GLN226 4.6 20.8 1.0
O A:HOH555 4.6 50.5 1.0
C A:GLN64 4.7 22.5 1.0
C A:LEU65 5.0 28.4 1.0
N A:LEU65 5.0 23.6 1.0

Chlorine binding site 3 out of 8 in 7l6z

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Chlorine binding site 3 out of 8 in the Crystal Structure of Peptidyl-Prolyl Cis-Trans Isomerasefrom (Ppib) Streptococcus Pneumoniae R6


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 Peptidyl-Prolyl Cis-Trans Isomerasefrom (Ppib) Streptococcus Pneumoniae R6 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:49.4
occ:0.50
 CL A:CL302 0.0 49.4 0.5
CL A:CL302 1.8 48.4 0.5
O A:HOH522 2.8 26.9 1.0
OE1 A:GLU211 3.7 51.8 1.0
CD A:GLU211 4.3 46.2 1.0
O A:HOH563 4.4 44.0 1.0
O A:HOH495 4.5 34.0 1.0
OE2 A:GLU211 4.5 59.3 1.0
O A:HOH541 4.8 49.6 1.0
O A:HOH413 4.8 27.6 1.0

Chlorine binding site 4 out of 8 in 7l6z

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Chlorine binding site 4 out of 8 in the Crystal Structure of Peptidyl-Prolyl Cis-Trans Isomerasefrom (Ppib) Streptococcus Pneumoniae R6


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 Peptidyl-Prolyl Cis-Trans Isomerasefrom (Ppib) Streptococcus Pneumoniae R6 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl301

b:47.4
occ:1.00
 O B:HOH408 3.2 30.5 1.0
N B:GLY136 3.2 23.3 1.0
CG B:PRO129 3.8 26.9 1.0
CE B:LYS130 3.9 32.9 0.5
CB B:PRO129 4.0 28.1 1.0
CA B:GLY136 4.0 23.6 1.0
CG B:LYS130 4.1 31.6 0.5
CA B:GLY135 4.1 24.7 1.0
C B:GLY135 4.2 23.5 1.0
CG B:LYS130 4.2 31.5 0.5
CD B:PRO129 4.3 25.0 1.0
O B:HOH500 4.4 20.5 0.3
CD B:LYS130 4.4 32.6 0.5
CD B:LYS130 4.6 32.5 0.5
C B:GLY136 4.7 22.9 1.0
CG G:LYS143 4.8 39.9 1.0
OH B:TYR109 4.8 26.2 1.0
OD1 B:ASP128 4.9 24.5 1.0
N B:LYS130 4.9 27.3 0.5
N B:LYS130 5.0 27.3 0.5
CA G:LYS143 5.0 36.2 1.0
NZ B:LYS130 5.0 34.1 0.5
O G:LYS143 5.0 38.7 1.0
CB G:LYS143 5.0 37.2 1.0

Chlorine binding site 5 out of 8 in 7l6z

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Chlorine binding site 5 out of 8 in the Crystal Structure of Peptidyl-Prolyl Cis-Trans Isomerasefrom (Ppib) Streptococcus Pneumoniae R6


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Peptidyl-Prolyl Cis-Trans Isomerasefrom (Ppib) Streptococcus Pneumoniae R6 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl302

b:51.1
occ:1.00
 O B:HOH519 3.0 40.0 1.0
O B:HOH484 3.3 34.1 1.0
NE2 B:GLN82 3.4 44.1 1.0
CA D:GLY229 3.6 27.1 1.0
C D:GLY229 3.8 26.7 1.0
OE1 B:GLN82 4.0 46.3 1.0
CB D:ARG86 4.0 23.1 1.0
N D:GLY230 4.0 25.9 1.0
CD B:GLN82 4.0 39.9 1.0
O D:HOH429 4.1 36.1 1.0
CD D:ARG86 4.2 23.8 1.0
O B:HOH529 4.3 40.2 1.0
O D:GLY229 4.5 24.8 1.0
O D:HOH548 4.5 49.9 1.0
CG D:ARG86 4.7 22.7 1.0
N D:GLY229 4.8 25.0 1.0
CA D:GLY230 4.9 26.3 1.0
NZ B:LYS236 4.9 31.1 1.0
N D:ARG86 4.9 21.3 1.0

Chlorine binding site 6 out of 8 in 7l6z

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Chlorine binding site 6 out of 8 in the Crystal Structure of Peptidyl-Prolyl Cis-Trans Isomerasefrom (Ppib) Streptococcus Pneumoniae R6


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Peptidyl-Prolyl Cis-Trans Isomerasefrom (Ppib) Streptococcus Pneumoniae R6 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl301

b:53.4
occ:1.00
 N D:GLY136 3.1 28.1 1.0
CA D:GLY136 3.9 28.2 1.0
CA D:GLY135 4.0 30.2 1.0
C D:GLY135 4.1 29.0 1.0
CG D:LYS130 4.2 44.7 1.0
CG D:PRO129 4.3 35.2 1.0
CB D:PRO129 4.4 34.9 1.0
CD D:LYS130 4.5 45.1 1.0
C D:GLY136 4.5 28.1 1.0
CD D:PRO129 4.6 33.1 1.0
O D:GLY136 4.9 28.3 1.0
OH D:TYR109 4.9 31.4 1.0
CG D:GLN137 5.0 35.9 1.0
OD1 D:ASP128 5.0 32.6 1.0

Chlorine binding site 7 out of 8 in 7l6z

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Chlorine binding site 7 out of 8 in the Crystal Structure of Peptidyl-Prolyl Cis-Trans Isomerasefrom (Ppib) Streptococcus Pneumoniae R6


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Peptidyl-Prolyl Cis-Trans Isomerasefrom (Ppib) Streptococcus Pneumoniae R6 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl301

b:44.4
occ:1.00
 N E:LYS204 3.3 26.4 1.0
O E:HOH517 3.3 37.1 1.0
CG E:LYS204 3.5 34.3 1.0
N E:GLN203 3.5 26.9 0.5
N E:GLN203 3.6 27.4 0.5
CB E:PRO202 3.7 28.0 1.0
CB E:LYS204 3.8 29.5 1.0
CE2 E:PHE62 3.9 29.4 1.0
CB E:GLN203 4.0 29.5 0.5
CD E:LYS204 4.1 35.9 1.0
CA E:GLN203 4.1 27.8 0.5
C E:PRO202 4.1 26.8 1.0
CA E:LYS204 4.1 27.7 1.0
C E:GLN203 4.2 26.6 0.5
CA E:GLN203 4.2 28.6 0.5
C E:GLN203 4.2 26.9 0.5
CA E:PRO202 4.3 28.4 1.0
CB E:GLN203 4.3 31.1 0.5
CE E:MSE60 4.5 123.1 1.0
CZ E:PHE62 4.5 29.6 1.0
CE E:LYS204 4.5 42.4 1.0
CD2 E:PHE62 4.9 27.7 1.0
O E:PRO202 4.9 25.3 1.0

Chlorine binding site 8 out of 8 in 7l6z

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Chlorine binding site 8 out of 8 in the Crystal Structure of Peptidyl-Prolyl Cis-Trans Isomerasefrom (Ppib) Streptococcus Pneumoniae R6


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of Peptidyl-Prolyl Cis-Trans Isomerasefrom (Ppib) Streptococcus Pneumoniae R6 within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl301

b:40.8
occ:1.00
 O G:HOH485 2.8 32.7 1.0
N G:GLY136 3.1 27.8 1.0
O G:HOH428 3.2 30.3 1.0
CG G:PRO129 3.7 30.7 1.0
CA G:GLY136 3.9 26.3 1.0
CA G:GLY135 4.1 29.5 1.0
C G:GLY135 4.1 29.1 1.0
CG G:LYS130 4.2 41.7 1.0
CB G:PRO129 4.2 31.6 1.0
CE G:LYS130 4.3 47.7 1.0
CD G:PRO129 4.3 29.7 1.0
O G:HOH499 4.4 38.5 1.0
C G:GLY136 4.4 25.6 1.0
O B:LYS106 4.5 25.2 1.0
OH G:TYR109 4.6 32.1 1.0
CD G:LYS130 4.6 44.7 1.0
O G:GLY136 4.8 25.6 1.0
CG G:GLN137 4.8 27.3 1.0
O B:GLU107 4.8 25.9 1.0
O B:HOH570 4.8 38.4 1.0
NE2 G:GLN137 4.8 29.4 1.0
OD1 G:ASP128 4.9 31.6 1.0
N G:LYS130 4.9 33.7 1.0
O B:HOH568 4.9 36.5 1.0
CA B:GLU107 4.9 24.7 1.0
N G:GLN137 5.0 24.2 1.0
C B:GLU107 5.0 25.0 1.0

Reference:

G.Minasov, L.Shuvalova, O.Kiryukhina, I.Dubrovska, K.J.F.Satchell, Center For Structural Genomics Of Infectious Diseases(Csgid). Crystal Structure of Peptidyl-Prolyl Cis-Trans Isomerasefrom (Ppib) Streptococcus Pneumoniae R6 To Be Published.
Page generated: Fri Dec 17 08:53:03 2021

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