Fluorine in PDB 6iw7: Structural Insights Into Mycobacterium Tuberculosis CLPP1P2 Inhibition By Cediranib: Implications For Developing Antimicrobial Agents Targeting Clp Protease

Enzymatic activity of Structural Insights Into Mycobacterium Tuberculosis CLPP1P2 Inhibition By Cediranib: Implications For Developing Antimicrobial Agents Targeting Clp Protease

All present enzymatic activity of Structural Insights Into Mycobacterium Tuberculosis CLPP1P2 Inhibition By Cediranib: Implications For Developing Antimicrobial Agents Targeting Clp Protease:
3.4.21.92;

Protein crystallography data

The structure of Structural Insights Into Mycobacterium Tuberculosis CLPP1P2 Inhibition By Cediranib: Implications For Developing Antimicrobial Agents Targeting Clp Protease, PDB code: 6iw7 was solved by R.Bao, Y.Z.Luo, Y.B.Zhu, Y.Yang, Y.Z.Zhou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.70 / 2.69
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 210.634, 180.780, 95.926, 90.00, 95.72, 90.00
R / Rfree (%) 20 / 24.3

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Structural Insights Into Mycobacterium Tuberculosis CLPP1P2 Inhibition By Cediranib: Implications For Developing Antimicrobial Agents Targeting Clp Protease (pdb code 6iw7). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 7 binding sites of Fluorine where determined in the Structural Insights Into Mycobacterium Tuberculosis CLPP1P2 Inhibition By Cediranib: Implications For Developing Antimicrobial Agents Targeting Clp Protease, PDB code: 6iw7:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Fluorine binding site 1 out of 7 in 6iw7

Go back to Fluorine Binding Sites List in 6iw7
Fluorine binding site 1 out of 7 in the Structural Insights Into Mycobacterium Tuberculosis CLPP1P2 Inhibition By Cediranib: Implications For Developing Antimicrobial Agents Targeting Clp Protease


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structural Insights Into Mycobacterium Tuberculosis CLPP1P2 Inhibition By Cediranib: Implications For Developing Antimicrobial Agents Targeting Clp Protease within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F301

b:63.6
occ:1.00
F01 D:AV3301 0.0 63.6 1.0
C05 D:AV3301 1.3 60.5 1.0
C01 D:AV3301 2.3 59.8 1.0
C09 D:AV3301 2.4 54.3 1.0
CB D:ARG119 2.6 43.9 1.0
CD D:ARG119 2.8 53.0 1.0
O01 D:AV3301 2.8 52.2 1.0
H071 D:AV3301 2.8 73.9 1.0
C07 D:AV3301 3.0 61.5 1.0
CG D:ARG119 3.1 51.1 1.0
N02 D:AV3301 3.6 47.8 1.0
C04 D:AV3301 3.6 57.9 1.0
C16 D:AV3301 3.6 50.9 1.0
C03 D:AV3301 3.7 50.3 1.0
O D:GLY94 3.8 46.2 1.0
CA D:ARG119 3.8 43.3 1.0
N D:ARG119 3.9 44.3 1.0
NE D:ARG119 4.0 57.1 1.0
C15 D:AV3301 4.1 52.9 1.0
C10 D:AV3301 4.2 64.3 1.0
O D:HIS117 4.5 40.6 1.0
C D:ALA118 4.5 42.9 1.0
H161 D:AV3301 4.5 61.3 1.0
N01 D:AV3301 4.5 62.7 1.0
CB M:SER72 4.6 47.8 1.0
C14 D:AV3301 4.8 50.5 1.0
NH1 D:ARG119 4.8 56.9 1.0
CZ D:ARG119 4.8 58.1 1.0
O D:ALA118 4.9 51.7 1.0
C D:ARG119 4.9 44.9 1.0
CZ3 D:TRP174 4.9 47.2 1.0
C D:GLY94 4.9 45.2 1.0
CA M:SER72 4.9 42.9 1.0

Fluorine binding site 2 out of 7 in 6iw7

Go back to Fluorine Binding Sites List in 6iw7
Fluorine binding site 2 out of 7 in the Structural Insights Into Mycobacterium Tuberculosis CLPP1P2 Inhibition By Cediranib: Implications For Developing Antimicrobial Agents Targeting Clp Protease


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structural Insights Into Mycobacterium Tuberculosis CLPP1P2 Inhibition By Cediranib: Implications For Developing Antimicrobial Agents Targeting Clp Protease within 5.0Å range:
probe atom residue distance (Å) B Occ
I:F301

b:62.2
occ:1.00
F01 I:AV3301 0.0 62.2 1.0
C05 I:AV3301 1.3 56.5 1.0
C01 I:AV3301 2.3 55.6 1.0
C09 I:AV3301 2.4 49.6 1.0
CD I:ARG119 2.7 62.4 1.0
CB I:ARG119 2.8 40.9 1.0
O01 I:AV3301 2.8 45.8 1.0
H071 I:AV3301 2.8 71.0 1.0
C07 I:AV3301 3.0 59.0 1.0
CG I:ARG119 3.1 54.3 1.0
N02 I:AV3301 3.5 40.6 1.0
NE I:ARG119 3.5 65.8 1.0
C04 I:AV3301 3.6 58.7 1.0
C03 I:AV3301 3.6 47.3 1.0
O I:GLY94 3.6 48.6 1.0
C16 I:AV3301 3.6 48.9 1.0
N I:ARG119 3.8 37.4 1.0
CA I:ARG119 3.8 40.4 1.0
C15 I:AV3301 4.1 59.3 1.0
C10 I:AV3301 4.3 65.3 1.0
C I:ALA118 4.4 39.8 1.0
O I:HIS117 4.4 53.0 1.0
H161 I:AV3301 4.5 58.9 1.0
N01 I:AV3301 4.5 52.0 1.0
C I:GLY94 4.6 42.5 1.0
C14 I:AV3301 4.7 44.6 1.0
CB D:SER72 4.7 48.4 1.0
CB I:MET95 4.7 44.9 1.0
C I:ARG119 4.8 39.0 1.0
CZ I:ARG119 4.8 67.8 1.0
O I:ARG119 4.9 45.8 1.0
CA D:SER72 4.9 43.6 1.0
C02 I:AV3301 4.9 49.1 1.0
O I:ALA118 4.9 44.6 1.0

Fluorine binding site 3 out of 7 in 6iw7

Go back to Fluorine Binding Sites List in 6iw7
Fluorine binding site 3 out of 7 in the Structural Insights Into Mycobacterium Tuberculosis CLPP1P2 Inhibition By Cediranib: Implications For Developing Antimicrobial Agents Targeting Clp Protease


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structural Insights Into Mycobacterium Tuberculosis CLPP1P2 Inhibition By Cediranib: Implications For Developing Antimicrobial Agents Targeting Clp Protease within 5.0Å range:
probe atom residue distance (Å) B Occ
K:F301

b:60.8
occ:1.00
F01 K:AV3301 0.0 60.8 1.0
C05 K:AV3301 1.3 59.5 1.0
C09 K:AV3301 2.3 53.8 1.0
C01 K:AV3301 2.4 58.8 1.0
O01 K:AV3301 2.8 52.6 1.0
H071 K:AV3301 3.0 76.2 1.0
CA K:SER72 3.0 44.1 1.0
C07 K:AV3301 3.1 63.3 1.0
CB K:SER72 3.1 46.9 1.0
O B:GLY94 3.3 56.5 1.0
C16 K:AV3301 3.6 52.6 1.0
C04 K:AV3301 3.6 60.1 1.0
N K:SER72 3.8 44.4 1.0
C B:GLY94 3.8 47.4 1.0
C03 K:AV3301 4.0 49.3 1.0
C15 K:AV3301 4.1 60.9 1.0
C K:SER72 4.1 47.0 1.0
O K:SER72 4.3 44.6 1.0
CA B:GLY94 4.3 50.1 1.0
C10 K:AV3301 4.4 64.4 1.0
CB K:MET75 4.4 44.1 1.0
C K:ILE71 4.4 47.5 1.0
N02 K:AV3301 4.4 48.9 1.0
CG K:MET75 4.5 54.5 1.0
H161 K:AV3301 4.5 63.3 1.0
OG K:SER72 4.5 54.7 1.0
O K:ILE71 4.5 49.7 1.0
N B:MET95 4.6 43.6 1.0
H081 K:AV3301 4.6 61.9 1.0
O B:HIS117 4.6 41.0 1.0
CB B:ARG119 4.6 46.1 1.0
N01 K:AV3301 4.6 61.1 1.0
CB B:MET95 4.6 46.4 1.0
CD B:ARG119 4.7 57.9 1.0
CA B:MET95 4.8 42.0 1.0
N B:ARG119 4.8 44.2 1.0
CG2 K:ILE71 4.9 46.5 1.0

Fluorine binding site 4 out of 7 in 6iw7

Go back to Fluorine Binding Sites List in 6iw7
Fluorine binding site 4 out of 7 in the Structural Insights Into Mycobacterium Tuberculosis CLPP1P2 Inhibition By Cediranib: Implications For Developing Antimicrobial Agents Targeting Clp Protease


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Structural Insights Into Mycobacterium Tuberculosis CLPP1P2 Inhibition By Cediranib: Implications For Developing Antimicrobial Agents Targeting Clp Protease within 5.0Å range:
probe atom residue distance (Å) B Occ
K:F302

b:65.7
occ:1.00
F01 K:AV3302 0.0 65.7 1.0
C05 K:AV3302 1.3 60.3 1.0
C01 K:AV3302 2.3 59.7 1.0
C09 K:AV3302 2.3 52.0 1.0
CB K:ARG119 2.6 51.9 1.0
O01 K:AV3302 2.7 53.9 1.0
H071 K:AV3302 2.9 76.1 1.0
C07 K:AV3302 3.0 63.3 1.0
CG K:ARG119 3.2 55.7 1.0
N02 K:AV3302 3.5 50.7 1.0
C03 K:AV3302 3.5 52.1 1.0
C04 K:AV3302 3.6 58.1 1.0
C16 K:AV3302 3.6 48.1 1.0
CD K:ARG119 3.6 61.2 1.0
O K:GLY94 3.8 54.3 1.0
CA K:ARG119 3.8 49.5 1.0
NE K:ARG119 3.9 63.5 1.0
N K:ARG119 3.9 46.4 1.0
C15 K:AV3302 4.1 57.2 1.0
C10 K:AV3302 4.3 61.6 1.0
H161 K:AV3302 4.5 57.9 1.0
N01 K:AV3302 4.5 56.5 1.0
O K:HIS117 4.6 55.0 1.0
C K:ALA118 4.7 51.0 1.0
C14 K:AV3302 4.7 52.5 1.0
CB N:SER72 4.7 47.3 1.0
CZ3 K:TRP174 4.7 52.8 1.0
C K:ARG119 4.8 47.5 1.0
C K:GLY94 4.8 50.3 1.0
CZ K:ARG119 4.8 66.7 1.0
CB K:MET95 4.8 49.2 1.0
C02 K:AV3302 4.8 53.5 1.0
CA N:SER72 4.9 43.7 1.0
O K:ARG119 4.9 45.3 1.0
CA K:MET95 5.0 45.3 1.0

Fluorine binding site 5 out of 7 in 6iw7

Go back to Fluorine Binding Sites List in 6iw7
Fluorine binding site 5 out of 7 in the Structural Insights Into Mycobacterium Tuberculosis CLPP1P2 Inhibition By Cediranib: Implications For Developing Antimicrobial Agents Targeting Clp Protease


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Structural Insights Into Mycobacterium Tuberculosis CLPP1P2 Inhibition By Cediranib: Implications For Developing Antimicrobial Agents Targeting Clp Protease within 5.0Å range:
probe atom residue distance (Å) B Occ
M:F301

b:65.9
occ:1.00
F01 M:AV3301 0.0 65.9 1.0
C05 M:AV3301 1.3 58.1 1.0
C01 M:AV3301 2.3 60.6 1.0
C09 M:AV3301 2.4 51.9 1.0
CD M:ARG119 2.7 60.8 1.0
H071 M:AV3301 2.8 78.4 1.0
O01 M:AV3301 2.9 47.6 1.0
CB M:ARG119 2.9 49.0 1.0
C07 M:AV3301 3.0 65.2 1.0
CG M:ARG119 3.2 53.7 1.0
O M:GLY94 3.5 49.4 1.0
C04 M:AV3301 3.6 62.4 1.0
C16 M:AV3301 3.6 49.7 1.0
N02 M:AV3301 3.7 50.1 1.0
C03 M:AV3301 3.8 48.2 1.0
N M:ARG119 3.8 40.7 1.0
NE M:ARG119 3.9 68.3 1.0
CA M:ARG119 4.0 42.2 1.0
C15 M:AV3301 4.1 59.0 1.0
C10 M:AV3301 4.2 65.9 1.0
O M:HIS117 4.4 51.5 1.0
C M:ALA118 4.4 49.8 1.0
H161 M:AV3301 4.5 59.8 1.0
N01 M:AV3301 4.5 60.2 1.0
C M:GLY94 4.5 47.1 1.0
CB B:SER72 4.7 47.2 1.0
CA B:SER72 4.9 45.1 1.0
O M:ALA118 4.9 52.7 1.0
C M:ARG119 4.9 43.3 1.0
CA M:ALA118 4.9 50.3 1.0
CB M:MET95 4.9 47.7 1.0
C14 M:AV3301 5.0 47.9 1.0

Fluorine binding site 6 out of 7 in 6iw7

Go back to Fluorine Binding Sites List in 6iw7
Fluorine binding site 6 out of 7 in the Structural Insights Into Mycobacterium Tuberculosis CLPP1P2 Inhibition By Cediranib: Implications For Developing Antimicrobial Agents Targeting Clp Protease


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Structural Insights Into Mycobacterium Tuberculosis CLPP1P2 Inhibition By Cediranib: Implications For Developing Antimicrobial Agents Targeting Clp Protease within 5.0Å range:
probe atom residue distance (Å) B Occ
N:F301

b:68.4
occ:1.00
F01 N:AV3301 0.0 68.4 1.0
C05 N:AV3301 1.3 59.2 1.0
C09 N:AV3301 2.3 51.3 1.0
C01 N:AV3301 2.4 53.4 1.0
O01 N:AV3301 2.7 47.9 1.0
H071 N:AV3301 2.9 67.1 1.0
CB N:ARG119 2.9 42.5 1.0
C07 N:AV3301 3.0 55.8 1.0
CG N:ARG119 3.1 47.7 1.0
CD N:ARG119 3.3 50.9 1.0
NE N:ARG119 3.3 49.0 1.0
N02 N:AV3301 3.5 47.3 1.0
O N:GLY94 3.5 52.1 1.0
C04 N:AV3301 3.6 54.7 1.0
C03 N:AV3301 3.6 48.0 1.0
C16 N:AV3301 3.6 50.2 1.0
N N:ARG119 3.8 38.8 1.0
CA N:ARG119 3.9 43.6 1.0
C15 N:AV3301 4.1 54.0 1.0
C10 N:AV3301 4.3 59.2 1.0
CB N:MET95 4.4 48.0 1.0
CB G:SER72 4.4 44.4 1.0
O N:HIS117 4.5 49.0 1.0
H161 N:AV3301 4.5 60.4 1.0
CZ N:ARG119 4.5 59.5 1.0
C N:GLY94 4.5 48.5 1.0
C N:ALA118 4.5 42.4 1.0
N01 N:AV3301 4.5 57.5 1.0
O N:ARG119 4.7 41.6 1.0
C N:ARG119 4.7 43.3 1.0
CA G:SER72 4.7 44.3 1.0
CE N:MET95 4.7 50.6 1.0
C14 N:AV3301 4.7 49.9 1.0
CA N:MET95 4.8 44.9 1.0
C02 N:AV3301 4.9 49.2 1.0

Fluorine binding site 7 out of 7 in 6iw7

Go back to Fluorine Binding Sites List in 6iw7
Fluorine binding site 7 out of 7 in the Structural Insights Into Mycobacterium Tuberculosis CLPP1P2 Inhibition By Cediranib: Implications For Developing Antimicrobial Agents Targeting Clp Protease


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Structural Insights Into Mycobacterium Tuberculosis CLPP1P2 Inhibition By Cediranib: Implications For Developing Antimicrobial Agents Targeting Clp Protease within 5.0Å range:
probe atom residue distance (Å) B Occ
G:F301

b:63.4
occ:1.00
F01 G:AV3301 0.0 63.4 1.0
C05 G:AV3301 1.3 57.5 1.0
C09 G:AV3301 2.4 50.8 1.0
C01 G:AV3301 2.4 59.9 1.0
CD G:ARG119 2.6 59.8 1.0
O01 G:AV3301 2.8 45.8 1.0
CB G:ARG119 2.8 47.7 1.0
H071 G:AV3301 2.9 77.1 1.0
CG G:ARG119 3.0 53.1 1.0
C07 G:AV3301 3.0 64.1 1.0
O G:GLY94 3.5 44.9 1.0
C04 G:AV3301 3.6 60.7 1.0
C16 G:AV3301 3.6 53.1 1.0
N02 G:AV3301 3.7 51.1 1.0
NE G:ARG119 3.7 65.6 1.0
C03 G:AV3301 3.7 46.6 1.0
N G:ARG119 3.8 44.6 1.0
CA G:ARG119 3.9 45.8 1.0
C15 G:AV3301 4.1 59.5 1.0
C10 G:AV3301 4.3 65.8 1.0
C G:ALA118 4.5 42.6 1.0
C G:GLY94 4.5 44.0 1.0
H161 G:AV3301 4.5 63.9 1.0
N01 G:AV3301 4.6 61.4 1.0
O G:HIS117 4.6 52.1 1.0
C G:ARG119 4.8 42.8 1.0
CZ G:ARG119 4.9 71.5 1.0
CB I:SER72 4.9 47.9 1.0
C14 G:AV3301 5.0 51.8 1.0
CZ3 G:TRP174 5.0 45.2 1.0
O G:ARG119 5.0 42.6 1.0

Reference:

R.Bao, Y.Z.Luo, Y.B.Zhu, Y.Yang, T.Yang. Structural Insights Into Mycobacterium Tuberculosis CLPP1P2 Inhibition By Cediranib: Implications For Developing Antimicrobial Agents Targeting Clp Protease To Be Published.
Page generated: Sun Dec 13 12:54:21 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy