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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

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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

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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

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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

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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

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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

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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: Fri Jul 11 09:08:31 2025

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