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Chlorine in PDB 7fcm: Crystal Structure of Moraxella Catarrhalis Enoyl-Acp-Reductase (Fabi) in Complex with Nad and Triclosan

Enzymatic activity of Crystal Structure of Moraxella Catarrhalis Enoyl-Acp-Reductase (Fabi) in Complex with Nad and Triclosan

All present enzymatic activity of Crystal Structure of Moraxella Catarrhalis Enoyl-Acp-Reductase (Fabi) in Complex with Nad and Triclosan:
1.3.1.9;

Protein crystallography data

The structure of Crystal Structure of Moraxella Catarrhalis Enoyl-Acp-Reductase (Fabi) in Complex with Nad and Triclosan, PDB code: 7fcm was solved by M.Katiki, N.Neetu, S.Pratap, P.Kumar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.48 / 2.22
Space group P 2 21 21
Cell size a, b, c (Å), α, β, γ (°) 75.52, 78.56, 89.23, 90, 90, 90
R / Rfree (%) 17.4 / 23.7

Other elements in 7fcm:

The structure of Crystal Structure of Moraxella Catarrhalis Enoyl-Acp-Reductase (Fabi) in Complex with Nad and Triclosan also contains other interesting chemical elements:

Calcium (Ca) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Moraxella Catarrhalis Enoyl-Acp-Reductase (Fabi) in Complex with Nad and Triclosan (pdb code 7fcm). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of Moraxella Catarrhalis Enoyl-Acp-Reductase (Fabi) in Complex with Nad and Triclosan, PDB code: 7fcm:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 7fcm

Go back to Chlorine Binding Sites List in 7fcm
Chlorine binding site 1 out of 6 in the Crystal Structure of Moraxella Catarrhalis Enoyl-Acp-Reductase (Fabi) in Complex with Nad and Triclosan


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Moraxella Catarrhalis Enoyl-Acp-Reductase (Fabi) in Complex with Nad and Triclosan within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:37.3
occ:1.00
 CL14 A:TCL302 0.0 37.3 1.0
C2 A:TCL302 1.7 34.5 1.0
C1 A:TCL302 2.7 31.5 1.0
C3 A:TCL302 2.7 34.7 1.0
CZ A:TYR151 3.4 33.7 1.0
CE1 A:TYR151 3.5 30.3 1.0
N7N A:NAD301 3.5 28.8 1.0
CE2 A:TYR151 3.6 30.5 1.0
CE A:MET211 3.7 49.8 1.0
OH A:TYR151 3.8 35.4 1.0
CD1 A:TYR151 3.9 29.2 1.0
CE1 A:PHE208 3.9 46.8 1.0
C6 A:TCL302 4.0 34.8 1.0
CD2 A:TYR151 4.0 27.1 1.0
C4 A:TCL302 4.0 32.8 1.0
CG A:TYR151 4.1 28.1 1.0
CA A:PRO196 4.1 30.1 1.0
CB A:PRO196 4.2 32.4 1.0
C7N A:NAD301 4.2 32.5 1.0
CD1 A:PHE208 4.2 47.1 1.0
C4N A:NAD301 4.3 31.1 1.0
C3N A:NAD301 4.4 29.9 1.0
C5 A:TCL302 4.5 32.5 1.0
N A:PRO196 4.8 31.4 1.0
O7N A:NAD301 5.0 35.1 1.0

Chlorine binding site 2 out of 6 in 7fcm

Go back to Chlorine Binding Sites List in 7fcm
Chlorine binding site 2 out of 6 in the Crystal Structure of Moraxella Catarrhalis Enoyl-Acp-Reductase (Fabi) in Complex with Nad and Triclosan


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Moraxella Catarrhalis Enoyl-Acp-Reductase (Fabi) in Complex with Nad and Triclosan within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:46.2
occ:1.00
 CL15 A:TCL302 0.0 46.2 1.0
C11 A:TCL302 1.7 44.6 1.0
C10 A:TCL302 2.7 40.8 1.0
C12 A:TCL302 2.7 39.5 1.0
N A:ALA99 3.2 37.9 1.0
O A:ALA99 3.3 40.2 1.0
O A:HOH454 3.6 44.1 1.0
CD1 A:LEU104 3.8 48.4 1.0
C9 A:TCL302 4.0 38.4 1.0
C13 A:TCL302 4.0 39.3 1.0
CA A:PHE98 4.0 40.3 1.0
C A:PHE98 4.0 40.1 1.0
CA A:ALA99 4.1 39.7 1.0
C A:ALA99 4.1 37.9 1.0
CB A:ALA99 4.3 38.6 1.0
CG A:MET164 4.4 31.2 1.0
SD A:MET164 4.4 38.1 1.0
C8 A:TCL302 4.5 37.2 1.0
CD1 A:PHE98 4.7 42.4 1.0
CG A:LEU104 4.7 43.5 1.0
N A:PHE98 4.7 40.2 1.0
CG A:PHE98 5.0 38.6 1.0

Chlorine binding site 3 out of 6 in 7fcm

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Chlorine binding site 3 out of 6 in the Crystal Structure of Moraxella Catarrhalis Enoyl-Acp-Reductase (Fabi) in Complex with Nad and Triclosan


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Moraxella Catarrhalis Enoyl-Acp-Reductase (Fabi) in Complex with Nad and Triclosan within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:44.8
occ:1.00
 CL16 A:TCL302 0.0 44.8 1.0
C9 A:TCL302 1.7 38.4 1.0
C8 A:TCL302 2.7 37.2 1.0
C10 A:TCL302 2.7 40.8 1.0
O7 A:TCL302 2.9 32.5 1.0
O A:GLY97 3.4 40.2 1.0
CB A:ALA201 3.5 39.4 1.0
CA A:GLY97 3.5 38.4 1.0
C2D A:NAD301 3.5 30.9 1.0
C3D A:NAD301 3.5 29.6 1.0
O2D A:NAD301 3.6 31.4 1.0
C A:GLY97 3.6 42.4 1.0
N A:GLY97 3.6 38.1 1.0
C5B A:NAD301 3.7 31.7 1.0
O5D A:NAD301 3.7 36.7 1.0
C11 A:TCL302 4.0 44.6 1.0
C13 A:TCL302 4.0 39.3 1.0
O A:HOH423 4.1 47.5 1.0
C5 A:TCL302 4.3 32.5 1.0
O3 A:NAD301 4.3 33.4 1.0
O3D A:NAD301 4.4 27.8 1.0
C12 A:TCL302 4.5 39.5 1.0
O5B A:NAD301 4.6 32.4 1.0
C5D A:NAD301 4.6 36.1 1.0
C4D A:NAD301 4.6 31.9 1.0
PN A:NAD301 4.6 33.9 1.0
N A:PHE98 4.7 40.2 1.0
C A:ILE96 4.8 36.4 1.0
O4B A:NAD301 4.8 33.1 1.0
C4B A:NAD301 4.8 30.6 1.0
O17 A:TCL302 4.8 36.1 1.0
O1N A:NAD301 4.9 35.8 1.0
C1D A:NAD301 5.0 32.3 1.0
PA A:NAD301 5.0 36.7 1.0
O1A A:NAD301 5.0 35.2 1.0

Chlorine binding site 4 out of 6 in 7fcm

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Chlorine binding site 4 out of 6 in the Crystal Structure of Moraxella Catarrhalis Enoyl-Acp-Reductase (Fabi) in Complex with Nad and Triclosan


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Moraxella Catarrhalis Enoyl-Acp-Reductase (Fabi) in Complex with Nad and Triclosan within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl302

b:34.7
occ:1.00
 CL14 B:TCL302 0.0 34.7 1.0
C2 B:TCL302 1.7 33.7 1.0
C1 B:TCL302 2.7 30.9 1.0
C3 B:TCL302 2.7 35.8 1.0
CZ B:TYR151 3.3 26.8 1.0
N7N B:NAD301 3.4 27.2 1.0
CE1 B:TYR151 3.5 26.4 1.0
CE2 B:TYR151 3.7 22.2 1.0
OH B:TYR151 3.7 31.4 1.0
CD1 B:TYR151 3.9 24.5 1.0
C6 B:TCL302 3.9 32.4 1.0
CE1 B:PHE208 4.0 36.0 1.0
C4 B:TCL302 4.0 32.4 1.0
C7N B:NAD301 4.1 30.4 1.0
CD2 B:TYR151 4.1 23.7 1.0
CA B:PRO196 4.1 31.9 1.0
C4N B:NAD301 4.1 26.8 1.0
CB B:PRO196 4.1 32.4 1.0
CG B:TYR151 4.2 23.8 1.0
C3N B:NAD301 4.3 31.7 1.0
C5 B:TCL302 4.5 32.7 1.0
CD1 B:PHE208 4.5 36.1 1.0
N B:PRO196 4.7 32.9 1.0
O17 B:TCL302 5.0 30.4 1.0
O7N B:NAD301 5.0 33.6 1.0

Chlorine binding site 5 out of 6 in 7fcm

Go back to Chlorine Binding Sites List in 7fcm
Chlorine binding site 5 out of 6 in the Crystal Structure of Moraxella Catarrhalis Enoyl-Acp-Reductase (Fabi) in Complex with Nad and Triclosan


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Moraxella Catarrhalis Enoyl-Acp-Reductase (Fabi) in Complex with Nad and Triclosan within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl302

b:41.3
occ:1.00
 CL15 B:TCL302 0.0 41.3 1.0
C11 B:TCL302 1.7 42.7 1.0
C12 B:TCL302 2.7 37.7 1.0
C10 B:TCL302 2.7 39.5 1.0
N B:ALA99 3.2 33.4 1.0
O B:ALA99 3.4 38.6 1.0
O B:HOH407 3.7 52.2 1.0
CD1 B:LEU104 3.9 43.4 1.0
C13 B:TCL302 4.0 34.6 1.0
C9 B:TCL302 4.0 36.2 1.0
CA B:PHE98 4.0 33.0 1.0
C B:PHE98 4.0 34.3 1.0
CA B:ALA99 4.1 37.2 1.0
C B:ALA99 4.2 36.5 1.0
CB B:ALA99 4.3 29.9 1.0
CG B:MET164 4.4 28.7 1.0
O B:HOH444 4.4 48.5 1.0
C8 B:TCL302 4.5 34.6 1.0
SD B:MET164 4.5 31.1 1.0
N B:PHE98 4.7 29.6 1.0
CD1 B:PHE98 4.8 34.0 1.0
CG B:LEU104 4.8 40.3 1.0

Chlorine binding site 6 out of 6 in 7fcm

Go back to Chlorine Binding Sites List in 7fcm
Chlorine binding site 6 out of 6 in the Crystal Structure of Moraxella Catarrhalis Enoyl-Acp-Reductase (Fabi) in Complex with Nad and Triclosan


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Moraxella Catarrhalis Enoyl-Acp-Reductase (Fabi) in Complex with Nad and Triclosan within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl302

b:36.7
occ:1.00
 CL16 B:TCL302 0.0 36.7 1.0
C9 B:TCL302 1.7 36.2 1.0
C8 B:TCL302 2.7 34.6 1.0
C10 B:TCL302 2.7 39.5 1.0
O7 B:TCL302 2.8 31.1 1.0
O B:GLY97 3.4 33.5 1.0
CB B:ALA201 3.4 28.1 1.0
C2D B:NAD301 3.5 30.1 1.0
C5B B:NAD301 3.6 40.1 1.0
O2D B:NAD301 3.6 31.5 1.0
O5D B:NAD301 3.6 28.7 1.0
C3D B:NAD301 3.6 29.5 1.0
CA B:GLY97 3.7 31.5 1.0
C B:GLY97 3.7 31.5 1.0
N B:GLY97 3.8 32.2 1.0
C13 B:TCL302 3.9 34.6 1.0
C11 B:TCL302 4.0 42.7 1.0
C5 B:TCL302 4.2 32.7 1.0
O3 B:NAD301 4.2 35.8 1.0
O5B B:NAD301 4.3 38.8 1.0
C12 B:TCL302 4.5 37.7 1.0
C5D B:NAD301 4.5 26.9 1.0
PN B:NAD301 4.6 27.8 1.0
O3D B:NAD301 4.6 30.3 1.0
C4D B:NAD301 4.6 30.4 1.0
N B:PHE98 4.8 29.6 1.0
O1A B:NAD301 4.8 32.8 1.0
C4B B:NAD301 4.8 38.9 1.0
O1N B:NAD301 4.8 32.2 1.0
PA B:NAD301 4.8 32.6 1.0
O4B B:NAD301 4.9 39.6 1.0
C B:ILE96 4.9 32.5 1.0
CA B:ALA201 4.9 33.4 1.0
C4 B:TCL302 5.0 32.4 1.0
C1D B:NAD301 5.0 28.8 1.0

Reference:

M.Katiki, N.Neetu, S.Pratap, P.Kumar. Crystal Structure of Moraxella Catarrhalis Enoyl-Acp-Reductase (Fabi) in Complex with Nad and Triclosan To Be Published.
Page generated: Mon Jul 29 20:44:24 2024

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