Atomistry » Chlorine » PDB 4m5g-4mdn » 4ma9
Atomistry »
  Chlorine »
    PDB 4m5g-4mdn »
      4ma9 »

Chlorine in PDB 4ma9: Wild Type Salmonella Alkyl Hydroperoxide Reductase C in Its Substrate- Ready Conformation

Enzymatic activity of Wild Type Salmonella Alkyl Hydroperoxide Reductase C in Its Substrate- Ready Conformation

All present enzymatic activity of Wild Type Salmonella Alkyl Hydroperoxide Reductase C in Its Substrate- Ready Conformation:
1.11.1.15;

Protein crystallography data

The structure of Wild Type Salmonella Alkyl Hydroperoxide Reductase C in Its Substrate- Ready Conformation, PDB code: 4ma9 was solved by A.Perkins, P.A.Karplus, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 36.76 / 1.82
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 126.840, 171.150, 135.320, 90.00, 90.00, 90.00
R / Rfree (%) 20.4 / 24

Other elements in 4ma9:

The structure of Wild Type Salmonella Alkyl Hydroperoxide Reductase C in Its Substrate- Ready Conformation also contains other interesting chemical elements:

Potassium (K) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Wild Type Salmonella Alkyl Hydroperoxide Reductase C in Its Substrate- Ready Conformation (pdb code 4ma9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Wild Type Salmonella Alkyl Hydroperoxide Reductase C in Its Substrate- Ready Conformation, PDB code: 4ma9:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 4ma9

Go back to Chlorine Binding Sites List in 4ma9
Chlorine binding site 1 out of 5 in the Wild Type Salmonella Alkyl Hydroperoxide Reductase C in Its Substrate- Ready Conformation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Wild Type Salmonella Alkyl Hydroperoxide Reductase C in Its Substrate- Ready Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:37.4
occ:1.00
H A:LEU2 2.3 26.7 1.0
HB2 A:SER1 2.8 29.3 1.0
O A:HOH1089 2.9 37.4 1.0
O A:HOH1011 2.9 30.1 1.0
O A:HOH1006 2.9 28.2 1.0
HD13 A:ILE133 3.0 22.2 1.0
HA A:SER1 3.0 26.6 1.0
HE2 A:PHE122 3.2 24.3 1.0
N A:LEU2 3.3 27.0 1.0
HG21 A:ILE133 3.3 26.6 1.0
HG A:LEU2 3.3 29.9 1.0
HD12 A:LEU2 3.3 30.7 1.0
HB2 A:LEU2 3.3 26.6 1.0
HD11 A:ILE133 3.6 23.4 1.0
CA A:SER1 3.7 26.1 1.0
CB A:SER1 3.7 30.8 1.0
H1 B:SER1 3.7 82.3 1.0
CD1 A:ILE133 3.8 24.5 1.0
HB3 B:SER1 3.8 29.6 1.0
C A:SER1 3.9 30.4 1.0
HA B:SER1 4.0 26.9 1.0
CB A:LEU2 4.0 26.5 1.0
CG A:LEU2 4.0 30.6 1.0
HZ A:PHE122 4.0 25.9 1.0
CD1 A:LEU2 4.2 31.6 1.0
CE2 A:PHE122 4.2 27.4 1.0
CA A:LEU2 4.2 26.5 1.0
HB2 A:ASP108 4.2 29.1 0.4
HB3 A:SER1 4.3 30.6 1.0
CG2 A:ILE133 4.4 26.7 1.0
HB3 A:ASP108 4.4 30.2 0.6
HD12 A:ILE133 4.5 24.6 1.0
CB B:SER1 4.5 28.6 1.0
O B:HOH1096 4.5 39.5 1.0
HB2 B:SER1 4.5 27.6 1.0
CZ A:PHE122 4.6 25.1 1.0
CA B:SER1 4.6 27.5 1.0
HG22 A:ILE133 4.7 26.1 1.0
OG A:SER1 4.7 29.5 1.0
HD13 A:LEU2 4.7 31.6 1.0
HG12 A:ILE133 4.7 26.0 1.0
CL B:CL201 4.7 41.8 1.0
CG1 A:ILE133 4.8 24.7 1.0
N B:SER1 4.8 26.6 1.0
O A:PHE107 4.8 28.0 1.0
HD11 A:LEU2 5.0 31.5 1.0
H A:ILE3 5.0 20.0 1.0
HB3 A:LEU2 5.0 27.6 1.0

Chlorine binding site 2 out of 5 in 4ma9

Go back to Chlorine Binding Sites List in 4ma9
Chlorine binding site 2 out of 5 in the Wild Type Salmonella Alkyl Hydroperoxide Reductase C in Its Substrate- Ready Conformation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Wild Type Salmonella Alkyl Hydroperoxide Reductase C in Its Substrate- Ready Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl201

b:41.8
occ:1.00
H B:LEU2 2.2 27.2 1.0
HB2 B:SER1 2.7 27.6 1.0
O B:HOH1073 2.9 36.5 1.0
HA B:SER1 2.9 26.9 1.0
O A:HOH1011 2.9 30.1 1.0
HD13 B:ILE133 2.9 32.1 1.0
HE2 B:PHE122 3.0 26.5 1.0
O B:HOH1096 3.0 39.5 1.0
N B:LEU2 3.1 27.6 1.0
HG B:LEU2 3.2 27.9 1.0
HB2 B:LEU2 3.3 26.0 1.0
HG21 B:ILE133 3.4 31.7 1.0
CB B:SER1 3.6 28.6 1.0
CA B:SER1 3.6 27.5 1.0
HD12 B:LEU2 3.6 30.6 1.0
H1 A:SER1 3.8 16.6 1.0
C B:SER1 3.8 29.2 1.0
CD1 B:ILE133 3.9 32.6 1.0
CG B:LEU2 3.9 29.6 1.0
HD12 B:ILE133 3.9 30.6 1.0
CB B:LEU2 3.9 25.4 1.0
HZ B:PHE122 3.9 22.4 1.0
CE2 B:PHE122 4.0 26.8 1.0
HB3 A:SER1 4.0 30.6 1.0
HA A:SER1 4.0 26.6 1.0
HB3 B:SER1 4.1 29.6 1.0
CA B:LEU2 4.1 26.1 1.0
CD1 B:LEU2 4.3 30.9 1.0
HB2 B:ASP108 4.4 29.9 0.4
HD11 B:ILE133 4.4 33.1 1.0
CZ B:PHE122 4.4 25.4 1.0
HB2 A:SER1 4.4 29.3 1.0
CG2 B:ILE133 4.4 30.3 1.0
CB A:SER1 4.6 30.8 1.0
HB3 B:ASP108 4.6 25.8 0.6
CA A:SER1 4.7 26.1 1.0
OG B:SER1 4.7 29.8 1.0
O A:HOH1006 4.7 28.2 1.0
HD11 B:LEU2 4.7 31.1 1.0
CL A:CL201 4.7 37.4 1.0
H B:ILE3 4.8 26.4 1.0
O B:PHE107 4.8 30.8 1.0
N A:SER1 4.8 23.9 1.0
HG23 B:ILE133 4.9 30.4 1.0
HA B:LEU2 4.9 27.3 1.0
HB3 B:LEU2 4.9 26.7 1.0
HG22 B:ILE133 4.9 30.4 1.0
N B:SER1 4.9 26.6 1.0
CG1 B:ILE133 5.0 30.1 1.0

Chlorine binding site 3 out of 5 in 4ma9

Go back to Chlorine Binding Sites List in 4ma9
Chlorine binding site 3 out of 5 in the Wild Type Salmonella Alkyl Hydroperoxide Reductase C in Its Substrate- Ready Conformation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Wild Type Salmonella Alkyl Hydroperoxide Reductase C in Its Substrate- Ready Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl201

b:43.8
occ:1.00
H C:LEU2 2.3 33.7 1.0
HB2 C:SER1 2.8 35.7 1.0
HD13 C:ILE133 2.8 34.8 1.0
HA C:SER1 2.9 34.1 1.0
O C:HOH1030 2.9 35.5 1.0
O D:HOH1053 2.9 39.3 1.0
O C:HOH1052 3.0 36.1 1.0
HE2 C:PHE122 3.2 35.5 1.0
HB2 C:LEU2 3.2 29.6 1.0
N C:LEU2 3.2 32.5 1.0
HG C:LEU2 3.3 33.2 1.0
HG21 C:ILE133 3.3 31.4 1.0
HD12 C:LEU2 3.4 35.5 1.0
CA C:SER1 3.6 34.7 1.0
CB C:SER1 3.6 35.4 1.0
CD1 C:ILE133 3.7 35.1 1.0
HD12 C:ILE133 3.7 35.4 1.0
HB3 D:SER1 3.8 36.3 1.0
CB C:LEU2 3.9 31.0 1.0
C C:SER1 3.9 37.5 1.0
HA D:SER1 3.9 35.0 1.0
CG C:LEU2 3.9 33.3 1.0
H1 D:SER1 4.1 10.8 1.0
CD1 C:LEU2 4.2 34.1 1.0
HB3 C:SER1 4.2 37.5 1.0
CA C:LEU2 4.2 32.0 1.0
CE2 C:PHE122 4.2 34.9 1.0
HD11 C:ILE133 4.3 34.8 1.0
CG2 C:ILE133 4.4 31.4 1.0
HZ C:PHE122 4.4 29.6 1.0
HB2 D:SER1 4.4 37.3 1.0
CB D:SER1 4.4 36.8 1.0
CA D:SER1 4.5 34.8 1.0
HB3 C:ASP108 4.5 37.4 1.0
HG22 C:ILE133 4.6 31.7 1.0
O D:HOH1042 4.7 36.6 1.0
OG C:SER1 4.7 43.0 1.0
N D:SER1 4.7 35.6 1.0
O C:PHE107 4.8 35.8 1.0
CZ C:PHE122 4.8 31.5 1.0
HD11 C:LEU2 4.8 33.1 1.0
CG1 C:ILE133 4.8 32.9 1.0
CL D:CL201 4.8 46.4 1.0
H C:ILE3 4.8 33.9 1.0
HG12 C:ILE133 4.9 32.8 1.0
HB3 C:LEU2 4.9 30.3 1.0
N C:SER1 4.9 37.0 1.0
HD13 C:LEU2 4.9 33.5 1.0
HA C:LEU2 5.0 31.5 1.0
HG23 C:ILE133 5.0 30.1 1.0

Chlorine binding site 4 out of 5 in 4ma9

Go back to Chlorine Binding Sites List in 4ma9
Chlorine binding site 4 out of 5 in the Wild Type Salmonella Alkyl Hydroperoxide Reductase C in Its Substrate- Ready Conformation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Wild Type Salmonella Alkyl Hydroperoxide Reductase C in Its Substrate- Ready Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl201

b:46.4
occ:1.00
H D:LEU2 2.1 32.8 1.0
HB2 D:SER1 2.7 37.3 1.0
HD13 D:ILE133 2.9 34.5 1.0
O D:HOH1053 2.9 39.3 1.0
O D:HOH1054 2.9 36.2 1.0
HA D:SER1 3.0 35.0 1.0
HE2 D:PHE122 3.0 36.8 1.0
HB2 D:LEU2 3.1 30.9 1.0
N D:LEU2 3.1 32.7 1.0
HG D:LEU2 3.1 32.6 1.0
O D:HOH1042 3.1 36.6 1.0
HG21 D:ILE133 3.2 32.1 1.0
HD12 D:LEU2 3.3 33.5 1.0
H1 C:SER1 3.3 21.8 1.0
CB D:SER1 3.6 36.8 1.0
CA D:SER1 3.6 34.8 1.0
HD12 D:ILE133 3.7 33.9 1.0
CB D:LEU2 3.7 31.7 1.0
CD1 D:ILE133 3.7 34.8 1.0
CG D:LEU2 3.8 33.3 1.0
C D:SER1 3.8 37.1 1.0
HA C:SER1 4.0 34.1 1.0
CA D:LEU2 4.0 31.6 1.0
HB3 C:SER1 4.0 37.5 1.0
CE2 D:PHE122 4.0 36.2 1.0
CD1 D:LEU2 4.0 33.4 1.0
HZ D:PHE122 4.1 32.2 1.0
HB3 D:SER1 4.2 36.3 1.0
CG2 D:ILE133 4.2 31.9 1.0
HD11 D:ILE133 4.3 34.4 1.0
HB2 D:ASP108 4.3 37.9 0.6
HG23 D:ILE133 4.5 32.3 1.0
CZ D:PHE122 4.5 33.7 1.0
OG D:SER1 4.6 36.8 1.0
HD11 D:LEU2 4.6 34.0 1.0
HB3 D:ASP108 4.6 32.0 0.4
CA C:SER1 4.7 34.7 1.0
CB C:SER1 4.7 35.4 1.0
HB2 C:SER1 4.7 35.7 1.0
HB3 D:LEU2 4.7 32.4 1.0
N C:SER1 4.7 37.0 1.0
H D:ILE3 4.7 29.4 1.0
O D:PHE107 4.8 32.7 1.0
O C:HOH1052 4.8 36.1 1.0
CL C:CL201 4.8 43.8 1.0
HD13 D:LEU2 4.8 33.5 1.0
HA D:LEU2 4.8 33.5 1.0
CG1 D:ILE133 4.8 33.8 1.0
HG22 D:ILE133 4.8 32.2 1.0
C D:LEU2 5.0 34.2 1.0
N D:SER1 5.0 35.6 1.0
HG12 D:ILE133 5.0 33.8 1.0

Chlorine binding site 5 out of 5 in 4ma9

Go back to Chlorine Binding Sites List in 4ma9
Chlorine binding site 5 out of 5 in the Wild Type Salmonella Alkyl Hydroperoxide Reductase C in Its Substrate- Ready Conformation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Wild Type Salmonella Alkyl Hydroperoxide Reductase C in Its Substrate- Ready Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl201

b:60.6
occ:1.00
H E:LEU2 2.2 48.9 1.0
HA E:SER1 2.9 45.6 1.0
HD13 E:ILE133 2.9 48.4 1.0
O E:HOH1465 2.9 38.8 0.4
HB2 E:SER1 3.0 50.0 1.0
HE2 E:PHE122 3.1 47.7 1.0
N E:LEU2 3.1 48.1 1.0
HG E:LEU2 3.1 50.4 1.0
HD12 E:LEU2 3.2 51.4 1.0
HB2 E:LEU2 3.2 46.1 1.0
O E:HOH1390 3.2 60.8 1.0
HG21 E:ILE133 3.2 46.7 1.0
HD12 E:ILE133 3.5 48.9 1.0
CA E:SER1 3.6 45.9 1.0
CD1 E:ILE133 3.7 49.0 1.0
CB E:SER1 3.7 49.6 1.0
CG E:LEU2 3.8 50.0 1.0
CB E:LEU2 3.8 46.6 1.0
C E:SER1 3.8 51.7 1.0
CD1 E:LEU2 4.0 51.1 1.0
CE2 E:PHE122 4.1 48.5 1.0
CA E:LEU2 4.1 47.5 1.0
HZ E:PHE122 4.1 45.1 1.0
HD11 E:ILE133 4.2 49.1 1.0
CG2 E:ILE133 4.3 47.1 1.0
HG23 E:ILE133 4.5 47.4 1.0
HB3 E:ASP108 4.5 48.2 1.0
OG E:SER1 4.5 50.6 1.0
HG E:SER1 4.5 51.4 1.0
CZ E:PHE122 4.6 45.6 1.0
HB3 E:SER1 4.6 49.5 1.0
HD11 E:LEU2 4.6 49.9 1.0
HD13 E:LEU2 4.7 51.2 1.0
O E:PHE107 4.7 45.6 1.0
CG1 E:ILE133 4.8 47.5 1.0
HB3 E:LEU2 4.8 48.3 1.0
HA E:LEU2 4.9 46.4 1.0
HG22 E:ILE133 4.9 46.7 1.0
H E:ILE3 4.9 52.0 1.0
N E:SER1 4.9 45.3 1.0

Reference:

A.Perkins, K.J.Nelson, J.R.Williams, D.Parsonage, L.B.Poole, P.A.Karplus. The Sensitive Balance Between the Fully Folded and Locally Unfolded Conformations of A Model Peroxiredoxin. Biochemistry V. 52 8708 2013.
ISSN: ISSN 0006-2960
PubMed: 24175952
DOI: 10.1021/BI4011573
Page generated: Sun Jul 21 19:38:42 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy