Atomistry » Chlorine » PDB 3pet-3pmo » 3pjf
Atomistry »
  Chlorine »
    PDB 3pet-3pmo »
      3pjf »

Chlorine in PDB 3pjf: Structure of Enr G93V Mutant-Nad+-Triclosan Complex

Enzymatic activity of Structure of Enr G93V Mutant-Nad+-Triclosan Complex

All present enzymatic activity of Structure of Enr G93V Mutant-Nad+-Triclosan Complex:
1.3.1.9;

Protein crystallography data

The structure of Structure of Enr G93V Mutant-Nad+-Triclosan Complex, PDB code: 3pjf was solved by H.T.Kim, D.G.Shin, H.J.Chang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 1.90
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 79.484, 79.484, 323.266, 90.00, 90.00, 120.00
R / Rfree (%) 21.9 / 24.7

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of Enr G93V Mutant-Nad+-Triclosan Complex (pdb code 3pjf). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Structure of Enr G93V Mutant-Nad+-Triclosan Complex, PDB code: 3pjf:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 3pjf

Go back to Chlorine Binding Sites List in 3pjf
Chlorine binding site 1 out of 6 in the Structure of Enr G93V Mutant-Nad+-Triclosan Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Enr G93V Mutant-Nad+-Triclosan Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl502

b:1.0
occ:0.75
 CL14 A:TCL502 0.0 1.0 0.8
C2 A:TCL502 1.7 11.9 0.8
C3 A:TCL502 2.7 13.6 0.8
C1 A:TCL502 2.7 14.2 0.8
CZ A:TYR146 3.6 25.2 1.0
CE1 A:TYR146 3.6 23.7 1.0
CB A:PRO191 3.6 31.5 1.0
CE2 A:TYR146 3.8 22.8 1.0
CD1 A:TYR146 3.9 21.1 1.0
CA A:PRO191 4.0 31.5 1.0
C6 A:TCL502 4.0 15.0 0.8
C4N A:NAD501 4.0 24.3 1.0
C4 A:TCL502 4.0 15.3 0.8
OH A:TYR146 4.1 28.4 1.0
NZ A:LYS205 4.1 76.5 1.0
O7N A:NAD501 4.1 27.5 1.0
CD2 A:TYR146 4.1 21.1 1.0
CG A:TYR146 4.2 20.8 1.0
N A:PRO191 4.5 28.0 1.0
C5 A:TCL502 4.5 15.3 0.8
C3N A:NAD501 4.6 25.1 1.0
CD A:PRO191 4.6 29.1 1.0
C7N A:NAD501 4.6 26.5 1.0
CG A:PRO191 4.6 32.5 1.0
C5N A:NAD501 4.7 22.9 1.0
CD A:LYS205 4.9 77.2 1.0
CE A:LYS205 5.0 77.1 1.0

Chlorine binding site 2 out of 6 in 3pjf

Go back to Chlorine Binding Sites List in 3pjf
Chlorine binding site 2 out of 6 in the Structure of Enr G93V Mutant-Nad+-Triclosan Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Enr G93V Mutant-Nad+-Triclosan Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl502

b:7.2
occ:0.75
 CL15 A:TCL502 0.0 7.2 0.8
C11 A:TCL502 1.7 16.2 0.8
C12 A:TCL502 2.7 16.6 0.8
C10 A:TCL502 2.7 14.1 0.8
O A:HOH531 3.3 29.9 1.0
O A:ALA95 3.4 24.7 1.0
N A:ALA95 3.5 23.1 1.0
CD1 A:LEU100 3.6 27.7 1.0
CA A:PHE94 4.0 21.0 1.0
C13 A:TCL502 4.0 15.8 0.8
C9 A:TCL502 4.0 16.4 0.8
C A:PHE94 4.1 21.2 1.0
CA A:ALA95 4.3 23.1 1.0
CB A:ALA95 4.3 21.1 1.0
C A:ALA95 4.3 22.8 1.0
C8 A:TCL502 4.6 15.5 0.8
CD1 A:PHE94 4.6 25.9 1.0
O A:HOH552 4.6 30.4 1.0
CE A:MET159 4.7 19.6 1.0
N A:PHE94 4.7 20.4 1.0
CG A:LEU100 4.9 26.2 1.0

Chlorine binding site 3 out of 6 in 3pjf

Go back to Chlorine Binding Sites List in 3pjf
Chlorine binding site 3 out of 6 in the Structure of Enr G93V Mutant-Nad+-Triclosan Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Enr G93V Mutant-Nad+-Triclosan Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl502

b:3.7
occ:0.75
 CL16 A:TCL502 0.0 3.7 0.8
C9 A:TCL502 1.8 16.4 0.8
C10 A:TCL502 2.7 14.1 0.8
C8 A:TCL502 2.8 15.5 0.8
O7 A:TCL502 2.9 16.9 0.8
O3 A:NAD501 3.1 26.1 1.0
CG1 A:VAL93 3.6 18.8 1.0
O5D A:NAD501 3.8 26.1 1.0
O1A A:NAD501 3.9 26.0 1.0
PN A:NAD501 4.0 25.2 1.0
C11 A:TCL502 4.0 16.2 0.8
PA A:NAD501 4.1 25.4 1.0
C13 A:TCL502 4.1 15.8 0.8
C5 A:TCL502 4.2 15.3 0.8
O1N A:NAD501 4.2 24.8 1.0
O A:HOH587 4.3 35.0 1.0
C5B A:NAD501 4.4 25.2 1.0
C4 A:TCL502 4.5 15.3 0.8
C12 A:TCL502 4.6 16.6 0.8
C2D A:NAD501 4.8 23.5 1.0
O A:HOH552 4.8 30.4 1.0
O5B A:NAD501 4.8 26.1 1.0
O2D A:NAD501 4.8 23.3 1.0
C5D A:NAD501 4.9 24.0 1.0

Chlorine binding site 4 out of 6 in 3pjf

Go back to Chlorine Binding Sites List in 3pjf
Chlorine binding site 4 out of 6 in the Structure of Enr G93V Mutant-Nad+-Triclosan Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of Enr G93V Mutant-Nad+-Triclosan Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl504

b:7.0
occ:0.75
 CL14 B:TCL504 0.0 7.0 0.8
C2 B:TCL504 1.7 16.1 0.8
C3 B:TCL504 2.7 17.4 0.8
C1 B:TCL504 2.7 17.0 0.8
CZ B:TYR146 3.5 26.7 1.0
CE1 B:TYR146 3.6 25.4 1.0
O7N B:NAD503 3.8 29.8 1.0
CE2 B:TYR146 3.8 25.1 1.0
OH B:TYR146 3.9 28.8 1.0
C4N B:NAD503 3.9 28.1 1.0
CB B:PRO191 3.9 28.4 1.0
C6 B:TCL504 4.0 16.9 0.8
CD1 B:TYR146 4.0 22.9 1.0
C4 B:TCL504 4.0 18.6 0.8
CA B:PRO191 4.1 28.5 1.0
CD2 B:TYR146 4.2 23.3 1.0
CG B:TYR146 4.3 24.1 1.0
CE B:MET206 4.3 62.8 1.0
C7N B:NAD503 4.3 29.1 1.0
CE1 B:PHE203 4.4 55.7 1.0
C3N B:NAD503 4.4 28.6 1.0
C5 B:TCL504 4.5 18.3 0.8
N B:PRO191 4.7 25.7 1.0
C5N B:NAD503 4.7 28.8 1.0
CZ B:PHE203 4.8 55.2 1.0

Chlorine binding site 5 out of 6 in 3pjf

Go back to Chlorine Binding Sites List in 3pjf
Chlorine binding site 5 out of 6 in the Structure of Enr G93V Mutant-Nad+-Triclosan Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of Enr G93V Mutant-Nad+-Triclosan Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl504

b:12.9
occ:0.75
 CL15 B:TCL504 0.0 12.9 0.8
C11 B:TCL504 1.7 18.1 0.8
C12 B:TCL504 2.7 19.1 0.8
C10 B:TCL504 2.7 16.8 0.8
O B:HOH603 3.2 30.7 1.0
O B:ALA95 3.6 28.1 1.0
N B:ALA95 3.7 25.1 1.0
CD1 B:LEU100 3.7 35.6 1.0
C9 B:TCL504 4.0 17.3 0.8
C13 B:TCL504 4.0 18.8 0.8
CA B:PHE94 4.1 26.2 1.0
C B:PHE94 4.3 25.5 1.0
O B:HOH608 4.3 34.1 1.0
C B:ALA95 4.4 28.5 1.0
CD1 B:PHE94 4.5 30.3 1.0
CA B:ALA95 4.5 26.6 1.0
CB B:ALA95 4.5 27.1 1.0
C8 B:TCL504 4.6 17.6 0.8
N B:PHE94 4.9 27.2 1.0
CG B:LEU100 4.9 35.2 1.0
CE1 B:PHE94 5.0 31.9 1.0

Chlorine binding site 6 out of 6 in 3pjf

Go back to Chlorine Binding Sites List in 3pjf
Chlorine binding site 6 out of 6 in the Structure of Enr G93V Mutant-Nad+-Triclosan Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Structure of Enr G93V Mutant-Nad+-Triclosan Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl504

b:7.9
occ:0.75
 CL16 B:TCL504 0.0 7.9 0.8
C9 B:TCL504 1.7 17.3 0.8
C10 B:TCL504 2.7 16.8 0.8
C8 B:TCL504 2.7 17.6 0.8
O7 B:TCL504 2.9 19.2 0.8
O3 B:NAD503 3.0 32.2 1.0
CB B:ALA196 3.5 53.4 1.0
O5D B:NAD503 3.7 29.7 1.0
CG1 B:VAL93 3.7 24.6 1.0
PN B:NAD503 3.8 29.3 1.0
O1N B:NAD503 3.9 28.6 1.0
O1A B:NAD503 3.9 35.7 1.0
PA B:NAD503 4.0 31.7 1.0
C11 B:TCL504 4.0 18.1 0.8
C13 B:TCL504 4.1 18.8 0.8
C5 B:TCL504 4.1 18.3 0.8
C4 B:TCL504 4.4 18.6 0.8
C5B B:NAD503 4.4 32.4 1.0
C12 B:TCL504 4.6 19.1 0.8
O5B B:NAD503 4.8 34.2 1.0
O B:HOH608 4.8 34.1 1.0
CA B:ALA196 4.8 54.3 1.0
C2D B:NAD503 4.9 28.5 1.0
C5D B:NAD503 4.9 27.8 1.0
N B:ALA197 5.0 56.5 1.0
O2D B:NAD503 5.0 27.6 1.0

Reference:

N.Jiten Singh, D.G.Shin, H.M.Lee, H.T.Kim, H.J.Chang, J.M.Cho, K.S.Kim, S.Ro. Structural Basis of Triclosan Resistance J.Struct.Biol. V. 174 173 2011.
ISSN: ISSN 1047-8477
PubMed: 21094257
DOI: 10.1016/J.JSB.2010.11.008
Page generated: Sun Jul 21 02:26:05 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