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Chlorine in PDB 3pje: Structure of Enr G93S Mutant-Nad+-Triclosan Complex

Enzymatic activity of Structure of Enr G93S Mutant-Nad+-Triclosan Complex

All present enzymatic activity of Structure of Enr G93S Mutant-Nad+-Triclosan Complex:
1.3.1.9;

Protein crystallography data

The structure of Structure of Enr G93S Mutant-Nad+-Triclosan Complex, PDB code: 3pje 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) 29.49 / 2.50
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 80.854, 80.854, 328.404, 90.00, 90.00, 120.00
R / Rfree (%) 22 / 24.8

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of Enr G93S Mutant-Nad+-Triclosan Complex (pdb code 3pje). 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 G93S Mutant-Nad+-Triclosan Complex, PDB code: 3pje:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 3pje

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Chlorine binding site 1 out of 6 in the Structure of Enr G93S 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 G93S Mutant-Nad+-Triclosan Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl801

b:29.5
occ:1.00
 CL14 A:TCL801 0.0 29.5 1.0
C2 A:TCL801 1.7 31.5 1.0
C1 A:TCL801 2.7 31.1 1.0
C3 A:TCL801 2.7 31.3 1.0
CZ A:TYR146 3.6 25.8 1.0
O7N A:NAD701 3.8 28.8 1.0
CE2 A:TYR146 3.8 24.5 1.0
CE2 A:PHE203 3.8 86.1 1.0
CE1 A:TYR146 3.9 24.9 1.0
OH A:TYR146 3.9 24.5 1.0
C4 A:TCL801 4.0 32.0 1.0
C6 A:TCL801 4.0 32.1 1.0
CD2 A:TYR146 4.2 24.2 1.0
CD1 A:TYR146 4.3 25.9 1.0
CA A:PRO191 4.3 32.7 1.0
CD2 A:PHE203 4.3 86.3 1.0
C7N A:NAD701 4.4 30.0 1.0
C4N A:NAD701 4.4 31.2 1.0
CG A:PRO191 4.4 30.7 1.0
CB A:PRO191 4.5 32.7 1.0
CG A:TYR146 4.5 23.7 1.0
C5 A:TCL801 4.5 33.7 1.0
C3N A:NAD701 4.7 30.1 1.0
N A:PRO191 4.9 29.4 1.0
CZ A:PHE203 4.9 85.6 1.0

Chlorine binding site 2 out of 6 in 3pje

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Chlorine binding site 2 out of 6 in the Structure of Enr G93S 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 G93S Mutant-Nad+-Triclosan Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl801

b:39.5
occ:1.00
 CL15 A:TCL801 0.0 39.5 1.0
C11 A:TCL801 1.7 40.1 1.0
C12 A:TCL801 2.7 40.2 1.0
C10 A:TCL801 2.7 39.2 1.0
N A:ALA95 3.1 27.7 1.0
O A:ALA95 3.2 28.4 1.0
CD1 A:LEU100 3.6 42.6 1.0
CA A:PHE94 3.7 28.3 1.0
C A:PHE94 3.8 28.2 1.0
C A:ALA95 4.0 28.2 1.0
C13 A:TCL801 4.0 38.6 1.0
CA A:ALA95 4.0 28.3 1.0
C9 A:TCL801 4.0 37.6 1.0
CD1 A:PHE94 4.1 23.8 1.0
O A:HOH812 4.2 43.5 1.0
CB A:ALA95 4.2 25.5 1.0
N A:PHE94 4.5 28.2 1.0
C8 A:TCL801 4.6 36.7 1.0
CG A:PHE94 4.7 25.8 1.0
CB A:PHE94 4.7 27.3 1.0
CE1 A:PHE94 4.7 24.4 1.0
O A:SER93 4.8 26.5 1.0
C A:SER93 4.9 27.9 1.0
O A:PHE94 4.9 29.3 1.0
CG A:LEU100 5.0 41.0 1.0

Chlorine binding site 3 out of 6 in 3pje

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Chlorine binding site 3 out of 6 in the Structure of Enr G93S 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 G93S Mutant-Nad+-Triclosan Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl801

b:38.5
occ:1.00
 CL16 A:TCL801 0.0 38.5 1.0
C9 A:TCL801 1.7 37.6 1.0
C10 A:TCL801 2.7 39.2 1.0
C8 A:TCL801 2.8 36.7 1.0
O7 A:TCL801 3.0 34.6 1.0
O5D A:NAD701 3.2 33.3 1.0
CB A:ALA196 3.7 68.7 1.0
O3 A:NAD701 3.7 37.0 1.0
CB A:SER93 3.7 30.0 1.0
C2D A:NAD701 3.8 36.6 1.0
O A:SER93 3.9 26.5 1.0
C3D A:NAD701 4.0 36.1 1.0
O2D A:NAD701 4.0 35.5 1.0
C11 A:TCL801 4.1 40.1 1.0
PN A:NAD701 4.1 31.9 1.0
C5B A:NAD701 4.1 36.5 1.0
C13 A:TCL801 4.1 38.6 1.0
C5D A:NAD701 4.1 35.9 1.0
O A:HOH812 4.3 43.5 1.0
C5 A:TCL801 4.3 33.7 1.0
C A:SER93 4.4 27.9 1.0
CA A:SER93 4.4 28.3 1.0
N A:SER93 4.5 27.3 1.0
O1N A:NAD701 4.5 33.5 1.0
C4D A:NAD701 4.6 36.5 1.0
C12 A:TCL801 4.6 40.2 1.0
PA A:NAD701 4.7 35.3 1.0
OG A:SER93 4.7 36.4 1.0
O5B A:NAD701 4.9 36.2 1.0
O1A A:NAD701 4.9 38.1 1.0

Chlorine binding site 4 out of 6 in 3pje

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Chlorine binding site 4 out of 6 in the Structure of Enr G93S 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 G93S Mutant-Nad+-Triclosan Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl802

b:29.1
occ:1.00
 CL14 B:TCL802 0.0 29.1 1.0
C2 B:TCL802 1.7 29.5 1.0
C3 B:TCL802 2.7 29.0 1.0
C1 B:TCL802 2.7 28.1 1.0
CZ B:TYR146 3.4 23.6 1.0
CE1 B:TYR146 3.5 23.2 1.0
CE2 B:TYR146 3.7 24.2 1.0
CE2 B:PHE203 3.7 84.5 1.0
OH B:TYR146 3.8 25.9 1.0
CD1 B:TYR146 3.9 24.4 1.0
O7N B:NAD702 3.9 24.1 1.0
C4 B:TCL802 4.0 28.9 1.0
C6 B:TCL802 4.0 27.9 1.0
CD2 B:TYR146 4.1 23.5 1.0
C4N B:NAD702 4.2 24.4 1.0
CG B:TYR146 4.2 24.8 1.0
CA B:PRO191 4.2 31.3 1.0
C7N B:NAD702 4.5 26.6 1.0
CZ B:PHE203 4.5 83.6 1.0
C5 B:TCL802 4.5 28.6 1.0
C3N B:NAD702 4.6 25.0 1.0
CB B:PRO191 4.6 31.6 1.0
CD2 B:PHE203 4.7 85.2 1.0
CG B:PRO191 4.7 30.6 1.0
N B:PRO191 4.8 27.7 1.0
SD B:MET206 4.9 76.1 1.0
C5N B:NAD702 5.0 24.7 1.0
CE2 B:TYR156 5.0 23.6 1.0

Chlorine binding site 5 out of 6 in 3pje

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Chlorine binding site 5 out of 6 in the Structure of Enr G93S 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 G93S Mutant-Nad+-Triclosan Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl802

b:30.9
occ:1.00
 CL15 B:TCL802 0.0 30.9 1.0
C11 B:TCL802 1.7 31.9 1.0
C12 B:TCL802 2.7 31.6 1.0
C10 B:TCL802 2.7 29.8 1.0
O B:ALA95 3.3 23.6 1.0
N B:ALA95 3.5 26.7 1.0
O B:HOH836 3.6 46.0 1.0
CA B:PHE94 4.0 26.7 1.0
C13 B:TCL802 4.0 30.9 1.0
C9 B:TCL802 4.0 29.2 1.0
C B:PHE94 4.1 26.7 1.0
C B:ALA95 4.2 24.7 1.0
CA B:ALA95 4.3 25.8 1.0
CB B:ALA95 4.3 23.7 1.0
CD1 B:PHE94 4.4 27.8 1.0
C8 B:TCL802 4.5 30.0 1.0
CD2 B:LEU100 4.6 38.3 1.0
N B:PHE94 4.7 28.1 1.0
O B:SER93 4.9 28.5 1.0

Chlorine binding site 6 out of 6 in 3pje

Go back to Chlorine Binding Sites List in 3pje
Chlorine binding site 6 out of 6 in the Structure of Enr G93S 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 G93S Mutant-Nad+-Triclosan Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl802

b:29.1
occ:1.00
 CL16 B:TCL802 0.0 29.1 1.0
C9 B:TCL802 1.8 29.2 1.0
C10 B:TCL802 2.7 29.8 1.0
C8 B:TCL802 2.8 30.0 1.0
O7 B:TCL802 3.0 28.1 1.0
O5D B:NAD702 3.3 28.3 1.0
CB B:ALA196 3.6 73.3 1.0
CB B:SER93 3.7 26.5 1.0
O3 B:NAD702 3.7 30.6 1.0
C2D B:NAD702 3.8 26.3 1.0
O B:SER93 3.9 28.5 1.0
O2D B:NAD702 3.9 20.9 1.0
C3D B:NAD702 4.0 26.3 1.0
C11 B:TCL802 4.0 31.9 1.0
C5B B:NAD702 4.0 32.5 1.0
C13 B:TCL802 4.1 30.9 1.0
PN B:NAD702 4.2 27.3 1.0
C5D B:NAD702 4.3 27.8 1.0
C5 B:TCL802 4.4 28.6 1.0
C B:SER93 4.4 28.2 1.0
CA B:SER93 4.4 26.8 1.0
N B:SER93 4.5 22.7 1.0
OG B:SER93 4.5 36.2 1.0
C12 B:TCL802 4.6 31.6 1.0
C4D B:NAD702 4.7 26.6 1.0
PA B:NAD702 4.7 25.5 1.0
O1N B:NAD702 4.7 28.9 1.0
O5B B:NAD702 4.8 32.0 1.0
O1A B:NAD702 4.8 29.9 1.0
O3D B:NAD702 5.0 27.4 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: Sat Dec 12 10:02:36 2020

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