Atomistry » Chlorine » PDB 5y7z-5yke » 5ycs
Atomistry »
  Chlorine »
    PDB 5y7z-5yke »
      5ycs »

Chlorine in PDB 5ycs: X-Ray Structure of Enoyl-Acyl Carrier Protein Reductase From Bacillus Anthracis with Triclosan

Enzymatic activity of X-Ray Structure of Enoyl-Acyl Carrier Protein Reductase From Bacillus Anthracis with Triclosan

All present enzymatic activity of X-Ray Structure of Enoyl-Acyl Carrier Protein Reductase From Bacillus Anthracis with Triclosan:
1.3.1.9;

Protein crystallography data

The structure of X-Ray Structure of Enoyl-Acyl Carrier Protein Reductase From Bacillus Anthracis with Triclosan, PDB code: 5ycs was solved by H.T.Kim, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 36.60 / 1.95
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 126.768, 126.768, 183.700, 90.00, 90.00, 120.00
R / Rfree (%) 16 / 19

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Chlorine atom in the X-Ray Structure of Enoyl-Acyl Carrier Protein Reductase From Bacillus Anthracis with Triclosan (pdb code 5ycs). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 12 binding sites of Chlorine where determined in the X-Ray Structure of Enoyl-Acyl Carrier Protein Reductase From Bacillus Anthracis with Triclosan, PDB code: 5ycs:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 12 in 5ycs

Go back to Chlorine Binding Sites List in 5ycs
Chlorine binding site 1 out of 12 in the X-Ray Structure of Enoyl-Acyl Carrier Protein Reductase From Bacillus Anthracis with Triclosan


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of Enoyl-Acyl Carrier Protein Reductase From Bacillus Anthracis with Triclosan within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl502

b:24.1
occ:1.00
 CL14 A:TCL502 0.0 24.1 1.0
C2 A:TCL502 1.7 21.9 1.0
C3 A:TCL502 2.7 22.8 1.0
C1 A:TCL502 2.7 19.7 1.0
CZ A:TYR147 3.5 26.1 1.0
O7N A:NAD501 3.5 19.5 1.0
CE1 A:TYR147 3.7 20.6 1.0
OH A:TYR147 3.7 26.8 1.0
CE2 A:TYR147 3.8 21.0 1.0
CE1 A:PHE204 3.9 28.2 1.0
C4 A:TCL502 4.0 24.4 1.0
C6 A:TCL502 4.0 21.9 1.0
CA A:PRO192 4.0 20.9 1.0
CB A:PRO192 4.1 22.9 1.0
CD1 A:TYR147 4.2 18.5 1.0
C7N A:NAD501 4.2 20.2 1.0
CD2 A:TYR147 4.3 18.1 1.0
O A:HOH704 4.3 41.0 1.0
C4N A:NAD501 4.3 18.2 1.0
CG A:PRO192 4.4 22.8 1.0
CZ A:PHE204 4.5 24.4 1.0
C5 A:TCL502 4.5 20.8 1.0
CG A:TYR147 4.5 19.2 1.0
C3N A:NAD501 4.5 18.6 1.0
N A:PRO192 4.8 18.9 1.0
CG2 A:VAL201 4.8 36.8 1.0
CD1 A:PHE204 5.0 28.6 1.0
CE1 A:TYR157 5.0 19.0 1.0

Chlorine binding site 2 out of 12 in 5ycs

Go back to Chlorine Binding Sites List in 5ycs
Chlorine binding site 2 out of 12 in the X-Ray Structure of Enoyl-Acyl Carrier Protein Reductase From Bacillus Anthracis with Triclosan


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Structure of Enoyl-Acyl Carrier Protein Reductase From Bacillus Anthracis with Triclosan within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl502

b:33.0
occ:1.00
 CL15 A:TCL502 0.0 33.0 1.0
C11 A:TCL502 1.7 29.0 1.0
C10 A:TCL502 2.7 22.5 1.0
C12 A:TCL502 2.7 24.0 1.0
O A:ALA97 3.2 20.1 1.0
N A:ALA97 3.2 19.7 1.0
O A:HOH649 3.5 32.4 1.0
CD1 A:LEU102 3.7 35.4 1.0
O A:HOH762 3.9 46.1 1.0
C9 A:TCL502 4.0 25.6 1.0
C13 A:TCL502 4.0 27.5 1.0
C A:ALA97 4.0 25.9 1.0
CA A:ALA97 4.0 22.2 1.0
C A:PHE96 4.1 20.7 1.0
CA A:PHE96 4.1 18.6 1.0
CE A:MET160 4.2 21.0 1.0
CB A:ALA97 4.2 17.8 1.0
CD1 A:PHE96 4.4 24.0 1.0
C8 A:TCL502 4.5 25.4 1.0
CG A:PHE96 4.8 22.3 1.0
CE1 A:PHE96 4.8 30.5 1.0
CG A:LEU102 4.9 34.1 1.0
N A:PHE96 5.0 17.4 1.0

Chlorine binding site 3 out of 12 in 5ycs

Go back to Chlorine Binding Sites List in 5ycs
Chlorine binding site 3 out of 12 in the X-Ray Structure of Enoyl-Acyl Carrier Protein Reductase From Bacillus Anthracis with Triclosan


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of X-Ray Structure of Enoyl-Acyl Carrier Protein Reductase From Bacillus Anthracis with Triclosan within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl502

b:35.4
occ:1.00
 CL16 A:TCL502 0.0 35.4 1.0
C9 A:TCL502 1.7 25.6 1.0
C10 A:TCL502 2.7 22.5 1.0
C8 A:TCL502 2.7 25.4 1.0
O7 A:TCL502 2.9 23.9 1.0
OG A:SER197 3.2 25.0 1.0
CB A:SER197 3.4 25.3 1.0
O5D A:NAD501 3.4 19.6 1.0
C2D A:NAD501 3.4 20.1 1.0
C3D A:NAD501 3.5 18.8 1.0
CB A:ALA95 3.7 17.1 1.0
O A:ALA95 3.7 17.6 1.0
O2D A:NAD501 3.7 20.2 1.0
C5B A:NAD501 3.8 18.4 1.0
O3 A:NAD501 3.9 18.9 1.0
C11 A:TCL502 3.9 29.0 1.0
C13 A:TCL502 4.0 27.5 1.0
C A:ALA95 4.1 18.5 1.0
CA A:ALA95 4.2 17.0 1.0
N A:ALA95 4.3 17.1 1.0
PN A:NAD501 4.3 19.3 1.0
C5 A:TCL502 4.3 20.8 1.0
C5D A:NAD501 4.3 18.9 1.0
C4D A:NAD501 4.5 17.4 1.0
C12 A:TCL502 4.5 24.0 1.0
O5B A:NAD501 4.5 17.1 1.0
O1N A:NAD501 4.5 17.7 1.0
O3D A:NAD501 4.5 16.4 1.0
O1A A:NAD501 4.6 19.5 1.0
PA A:NAD501 4.7 18.5 1.0
C1D A:NAD501 4.8 19.5 1.0
CA A:SER197 4.9 26.1 1.0

Chlorine binding site 4 out of 12 in 5ycs

Go back to Chlorine Binding Sites List in 5ycs
Chlorine binding site 4 out of 12 in the X-Ray Structure of Enoyl-Acyl Carrier Protein Reductase From Bacillus Anthracis with Triclosan


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of X-Ray Structure of Enoyl-Acyl Carrier Protein Reductase From Bacillus Anthracis with Triclosan within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl302

b:31.9
occ:1.00
 CL14 B:TCL302 0.0 31.9 1.0
C2 B:TCL302 1.7 29.5 1.0
C3 B:TCL302 2.7 30.4 1.0
C1 B:TCL302 2.7 27.1 1.0
CZ B:TYR147 3.5 28.6 1.0
O7N B:NAD301 3.6 28.7 1.0
CE1 B:TYR147 3.7 25.5 1.0
OH B:TYR147 3.8 31.4 1.0
CE2 B:TYR147 3.8 25.1 1.0
CE1 B:PHE204 3.8 29.8 1.0
C4 B:TCL302 4.0 30.9 1.0
C6 B:TCL302 4.0 29.6 1.0
CA B:PRO192 4.1 27.9 1.0
CB B:PRO192 4.1 28.4 1.0
CD1 B:TYR147 4.2 23.3 1.0
C7N B:NAD301 4.3 28.9 1.0
C4N B:NAD301 4.3 26.0 1.0
CD2 B:TYR147 4.3 21.4 1.0
CG B:PRO192 4.3 30.4 1.0
CZ B:PHE204 4.4 31.6 1.0
O B:HOH431 4.5 41.8 1.0
CG B:TYR147 4.5 23.9 1.0
C5 B:TCL302 4.5 30.7 1.0
C3N B:NAD301 4.5 26.1 1.0
CG2 B:VAL201 4.7 45.4 1.0
N B:PRO192 4.8 27.1 1.0
CD1 B:PHE204 4.9 32.9 1.0
CE1 B:TYR157 4.9 22.6 1.0

Chlorine binding site 5 out of 12 in 5ycs

Go back to Chlorine Binding Sites List in 5ycs
Chlorine binding site 5 out of 12 in the X-Ray Structure of Enoyl-Acyl Carrier Protein Reductase From Bacillus Anthracis with Triclosan


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of X-Ray Structure of Enoyl-Acyl Carrier Protein Reductase From Bacillus Anthracis with Triclosan within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl302

b:38.8
occ:1.00
 CL15 B:TCL302 0.0 38.8 1.0
C11 B:TCL302 1.7 33.1 1.0
C10 B:TCL302 2.7 31.9 1.0
C12 B:TCL302 2.7 29.9 1.0
N B:ALA97 3.2 26.1 1.0
O B:ALA97 3.2 29.5 1.0
O B:HOH468 3.7 39.1 1.0
CD1 B:LEU102 3.9 33.1 1.0
CA B:ALA97 3.9 26.2 1.0
C B:ALA97 4.0 29.6 1.0
C9 B:TCL302 4.0 30.9 1.0
C B:PHE96 4.0 26.6 1.0
C13 B:TCL302 4.0 31.2 1.0
CA B:PHE96 4.1 24.6 1.0
CB B:ALA97 4.1 25.9 1.0
CE B:MET160 4.1 26.1 1.0
C8 B:TCL302 4.5 29.8 1.0
CD1 B:PHE96 4.6 30.8 1.0
O B:HOH426 4.8 37.7 1.0
CG B:PHE96 4.9 27.9 1.0
N B:PHE96 4.9 18.9 1.0
CE1 B:PHE96 5.0 30.7 1.0

Chlorine binding site 6 out of 12 in 5ycs

Go back to Chlorine Binding Sites List in 5ycs
Chlorine binding site 6 out of 12 in the X-Ray Structure of Enoyl-Acyl Carrier Protein Reductase From Bacillus Anthracis with Triclosan


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of X-Ray Structure of Enoyl-Acyl Carrier Protein Reductase From Bacillus Anthracis with Triclosan within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl302

b:45.0
occ:1.00
 CL16 B:TCL302 0.0 45.0 1.0
C9 B:TCL302 1.7 30.9 1.0
C10 B:TCL302 2.7 31.9 1.0
C8 B:TCL302 2.7 29.8 1.0
O7 B:TCL302 2.9 30.0 1.0
O5D B:NAD301 3.4 28.2 1.0
OG B:SER197 3.4 38.5 1.0
CB B:SER197 3.4 35.9 1.0
C2D B:NAD301 3.5 26.2 1.0
C3D B:NAD301 3.5 24.7 1.0
O B:ALA95 3.7 24.5 1.0
CB B:ALA95 3.7 21.4 1.0
C5B B:NAD301 3.7 26.7 1.0
O2D B:NAD301 3.8 23.3 1.0
O B:HOH426 3.9 37.7 1.0
C11 B:TCL302 4.0 33.1 1.0
C13 B:TCL302 4.0 31.2 1.0
O3 B:NAD301 4.0 25.8 1.0
C B:ALA95 4.1 23.2 1.0
N B:ALA95 4.3 21.3 1.0
CA B:ALA95 4.3 23.4 1.0
C5 B:TCL302 4.3 30.7 1.0
C5D B:NAD301 4.3 25.7 1.0
PN B:NAD301 4.3 26.9 1.0
O5B B:NAD301 4.4 26.9 1.0
C4D B:NAD301 4.4 27.5 1.0
C12 B:TCL302 4.5 29.9 1.0
O3D B:NAD301 4.5 22.6 1.0
O1N B:NAD301 4.6 27.0 1.0
O1A B:NAD301 4.7 24.9 1.0
PA B:NAD301 4.7 26.6 1.0
C1D B:NAD301 4.9 25.5 1.0
CA B:SER197 4.9 35.8 1.0
O17 B:TCL302 5.0 24.6 1.0

Chlorine binding site 7 out of 12 in 5ycs

Go back to Chlorine Binding Sites List in 5ycs
Chlorine binding site 7 out of 12 in the X-Ray Structure of Enoyl-Acyl Carrier Protein Reductase From Bacillus Anthracis with Triclosan


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of X-Ray Structure of Enoyl-Acyl Carrier Protein Reductase From Bacillus Anthracis with Triclosan within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl302

b:29.1
occ:1.00
 CL14 C:TCL302 0.0 29.1 1.0
C2 C:TCL302 1.7 26.3 1.0
C3 C:TCL302 2.7 26.1 1.0
C1 C:TCL302 2.7 23.7 1.0
CZ C:TYR147 3.5 28.9 1.0
O7N C:NAD301 3.6 28.0 1.0
CE1 C:TYR147 3.7 24.5 1.0
OH C:TYR147 3.7 28.5 1.0
CE2 C:TYR147 3.8 22.8 1.0
CE1 C:PHE204 3.8 32.2 1.0
C4 C:TCL302 4.0 26.9 1.0
C6 C:TCL302 4.0 26.3 1.0
CA C:PRO192 4.1 25.5 1.0
CB C:PRO192 4.1 27.2 1.0
CD1 C:TYR147 4.2 20.0 1.0
C7N C:NAD301 4.2 24.1 1.0
O C:HOH453 4.3 41.7 1.0
CZ C:PHE204 4.3 29.6 1.0
C4N C:NAD301 4.3 23.0 1.0
CD2 C:TYR147 4.3 20.0 1.0
CG C:PRO192 4.4 28.6 1.0
C5 C:TCL302 4.5 26.1 1.0
C3N C:NAD301 4.5 25.5 1.0
CG C:TYR147 4.5 21.2 1.0
N C:PRO192 4.8 24.7 1.0
CG2 C:VAL201 4.9 41.6 1.0
CE1 C:TYR157 5.0 19.4 1.0
CD1 C:PHE204 5.0 35.5 1.0

Chlorine binding site 8 out of 12 in 5ycs

Go back to Chlorine Binding Sites List in 5ycs
Chlorine binding site 8 out of 12 in the X-Ray Structure of Enoyl-Acyl Carrier Protein Reductase From Bacillus Anthracis with Triclosan


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of X-Ray Structure of Enoyl-Acyl Carrier Protein Reductase From Bacillus Anthracis with Triclosan within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl302

b:39.6
occ:1.00
 CL15 C:TCL302 0.0 39.6 1.0
C11 C:TCL302 1.7 31.9 1.0
C10 C:TCL302 2.7 28.7 1.0
C12 C:TCL302 2.7 31.1 1.0
O C:ALA97 3.2 28.5 1.0
N C:ALA97 3.3 24.4 1.0
O C:HOH445 3.4 37.7 1.0
CD1 C:LEU102 3.9 41.4 1.0
C9 C:TCL302 4.0 32.2 1.0
C13 C:TCL302 4.0 28.0 1.0
C C:ALA97 4.1 30.5 1.0
CA C:PHE96 4.1 24.2 1.0
CA C:ALA97 4.1 27.4 1.0
C C:PHE96 4.2 23.3 1.0
CE C:MET160 4.3 25.1 1.0
CB C:ALA97 4.4 25.9 1.0
CD1 C:PHE96 4.4 30.0 1.0
C8 C:TCL302 4.5 28.3 1.0
CE1 C:PHE96 4.8 33.9 1.0
CG C:PHE96 4.8 29.9 1.0
O C:HOH471 4.8 37.9 1.0

Chlorine binding site 9 out of 12 in 5ycs

Go back to Chlorine Binding Sites List in 5ycs
Chlorine binding site 9 out of 12 in the X-Ray Structure of Enoyl-Acyl Carrier Protein Reductase From Bacillus Anthracis with Triclosan


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of X-Ray Structure of Enoyl-Acyl Carrier Protein Reductase From Bacillus Anthracis with Triclosan within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl302

b:42.8
occ:1.00
 CL16 C:TCL302 0.0 42.8 1.0
C9 C:TCL302 1.7 32.2 1.0
C10 C:TCL302 2.7 28.7 1.0
C8 C:TCL302 2.7 28.3 1.0
O7 C:TCL302 2.9 27.1 1.0
O5D C:NAD301 3.4 24.7 1.0
OG C:SER197 3.4 29.6 1.0
C2D C:NAD301 3.4 24.2 1.0
CB C:SER197 3.4 32.1 1.0
C3D C:NAD301 3.5 24.1 1.0
O C:ALA95 3.6 24.1 1.0
CB C:ALA95 3.6 21.9 1.0
O2D C:NAD301 3.7 25.1 1.0
C5B C:NAD301 3.8 24.7 1.0
C11 C:TCL302 4.0 31.9 1.0
O3 C:NAD301 4.0 25.4 1.0
C13 C:TCL302 4.0 28.0 1.0
O C:HOH471 4.0 37.9 1.0
C C:ALA95 4.1 25.7 1.0
CA C:ALA95 4.2 24.4 1.0
N C:ALA95 4.2 23.7 1.0
C5 C:TCL302 4.3 26.1 1.0
PN C:NAD301 4.3 25.2 1.0
C5D C:NAD301 4.3 24.2 1.0
C4D C:NAD301 4.5 24.5 1.0
C12 C:TCL302 4.5 31.1 1.0
O3D C:NAD301 4.5 23.8 1.0
O5B C:NAD301 4.5 24.2 1.0
O1N C:NAD301 4.6 27.1 1.0
PA C:NAD301 4.7 25.4 1.0
O1A C:NAD301 4.7 27.1 1.0
C1D C:NAD301 4.9 23.2 1.0
CA C:SER197 5.0 32.8 1.0
O17 C:TCL302 5.0 23.9 1.0
N C:PHE96 5.0 21.8 1.0

Chlorine binding site 10 out of 12 in 5ycs

Go back to Chlorine Binding Sites List in 5ycs
Chlorine binding site 10 out of 12 in the X-Ray Structure of Enoyl-Acyl Carrier Protein Reductase From Bacillus Anthracis with Triclosan


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of X-Ray Structure of Enoyl-Acyl Carrier Protein Reductase From Bacillus Anthracis with Triclosan within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl302

b:29.8
occ:1.00
 CL14 D:TCL302 0.0 29.8 1.0
C2 D:TCL302 1.7 27.8 1.0
C3 D:TCL302 2.7 27.7 1.0
C1 D:TCL302 2.7 22.8 1.0
CZ D:TYR147 3.5 28.9 1.0
CE1 D:TYR147 3.6 23.3 1.0
O7N D:NAD301 3.7 23.5 1.0
OH D:TYR147 3.7 30.5 1.0
CE1 D:PHE204 3.9 34.6 1.0
CE2 D:TYR147 3.9 21.5 1.0
C4 D:TCL302 4.0 27.3 1.0
C6 D:TCL302 4.0 23.9 1.0
CA D:PRO192 4.0 23.0 1.0
CB D:PRO192 4.1 26.7 1.0
CD1 D:TYR147 4.2 18.7 1.0
C4N D:NAD301 4.3 21.6 1.0
C7N D:NAD301 4.3 24.6 1.0
CZ D:PHE204 4.4 33.1 1.0
CD2 D:TYR147 4.4 21.6 1.0
CG D:PRO192 4.5 27.5 1.0
C3N D:NAD301 4.5 22.1 1.0
C5 D:TCL302 4.5 25.1 1.0
CG D:TYR147 4.5 17.4 1.0
N D:PRO192 4.8 22.8 1.0
CG2 D:VAL201 4.9 40.4 1.0
CE1 D:TYR157 4.9 22.9 1.0
CD1 D:PHE204 5.0 36.3 1.0

Reference:

H.T.Kim, S.Kim, B.K.Na, J.Chung, E.Hwang, K.Y.Hwang. Structural Insights Into the Dimer-Tetramer Transition of Fabi From Bacillus Anthracis Biochem. Biophys. Res. V. 493 28 2017COMMUN..
ISSN: ESSN 1090-2104
PubMed: 28935372
DOI: 10.1016/J.BBRC.2017.09.084
Page generated: Sat Jul 12 10:54:34 2025

Last articles

Hg in 6RG5
Hg in 6RFH
Hg in 6PII
Hg in 6LNH
Hg in 6NJX
Hg in 6KR6
Hg in 6IQV
Hg in 6L8O
Hg in 6BZI
Hg in 6KIS
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy