Fluorine in PDB 6kzu: Macrocyclization of An All-D Linear Peptide Improves Target Affinity and Imparts Cellular Activity: A Novel Stapled Alpha-Helical Peptide Modality

Enzymatic activity of Macrocyclization of An All-D Linear Peptide Improves Target Affinity and Imparts Cellular Activity: A Novel Stapled Alpha-Helical Peptide Modality

All present enzymatic activity of Macrocyclization of An All-D Linear Peptide Improves Target Affinity and Imparts Cellular Activity: A Novel Stapled Alpha-Helical Peptide Modality:
2.3.2.27;

Protein crystallography data

The structure of Macrocyclization of An All-D Linear Peptide Improves Target Affinity and Imparts Cellular Activity: A Novel Stapled Alpha-Helical Peptide Modality, PDB code: 6kzu was solved by S.Jiang, C.J.Brown, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.49 / 1.79
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 82.567, 82.567, 54.783, 90.00, 90.00, 120.00
R / Rfree (%) 19.9 / 23.6

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Macrocyclization of An All-D Linear Peptide Improves Target Affinity and Imparts Cellular Activity: A Novel Stapled Alpha-Helical Peptide Modality (pdb code 6kzu). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Macrocyclization of An All-D Linear Peptide Improves Target Affinity and Imparts Cellular Activity: A Novel Stapled Alpha-Helical Peptide Modality, PDB code: 6kzu:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 6kzu

Go back to Fluorine Binding Sites List in 6kzu
Fluorine binding site 1 out of 4 in the Macrocyclization of An All-D Linear Peptide Improves Target Affinity and Imparts Cellular Activity: A Novel Stapled Alpha-Helical Peptide Modality


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Macrocyclization of An All-D Linear Peptide Improves Target Affinity and Imparts Cellular Activity: A Novel Stapled Alpha-Helical Peptide Modality within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F3

b:31.9
occ:1.00
F1 B:E033 0.0 31.9 1.0
CH2 B:E033 1.3 31.7 1.0
CZ3 B:E033 2.4 31.1 1.0
CZ2 B:E033 2.4 31.5 1.0
CG1 A:VAL93 3.2 27.2 1.0
CD2 B:TDF7 3.3 25.8 1.0
CE2 B:TDF7 3.3 26.0 1.0
CD1 A:ILE61 3.5 27.1 1.0
CG2 A:ILE61 3.5 25.2 1.0
CE2 B:E033 3.6 32.8 1.0
CE3 B:E033 3.6 32.6 1.0
CG2 A:VAL75 3.7 30.9 1.0
CB A:ILE61 4.0 26.1 1.0
CD2 B:E033 4.1 32.5 1.0
CG1 A:ILE61 4.3 26.8 1.0
CG B:TDF7 4.3 25.2 1.0
CZ B:TDF7 4.3 25.4 1.0
CB A:VAL93 4.6 27.1 1.0
CB B:DTY4 4.8 28.9 1.0
NE1 B:E033 4.9 32.4 1.0
F19 B:TDF7 4.9 27.1 1.0

Fluorine binding site 2 out of 4 in 6kzu

Go back to Fluorine Binding Sites List in 6kzu
Fluorine binding site 2 out of 4 in the Macrocyclization of An All-D Linear Peptide Improves Target Affinity and Imparts Cellular Activity: A Novel Stapled Alpha-Helical Peptide Modality


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Macrocyclization of An All-D Linear Peptide Improves Target Affinity and Imparts Cellular Activity: A Novel Stapled Alpha-Helical Peptide Modality within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F7

b:27.1
occ:1.00
F19 B:TDF7 0.0 27.1 1.0
C13 B:TDF7 1.3 27.2 1.0
F21 B:TDF7 2.1 25.3 1.0
F20 B:TDF7 2.2 25.0 1.0
CZ B:TDF7 2.3 25.4 1.0
CE2 B:TDF7 2.7 26.0 1.0
CD1 A:ILE99 3.5 24.0 1.0
CE2 A:PHE91 3.6 27.4 1.0
CE1 B:TDF7 3.6 24.6 1.0
CG1 A:ILE99 3.6 23.1 1.0
CG2 A:ILE99 3.7 22.4 1.0
CZ A:PHE91 3.9 27.4 1.0
CZ A:PHE86 4.1 38.6 1.0
CD2 B:TDF7 4.1 25.8 1.0
CD1 A:ILE61 4.3 27.1 1.0
CB A:ILE99 4.3 22.3 1.0
CD2 A:PHE91 4.6 27.8 1.0
CD1 B:TDF7 4.7 24.4 1.0
CE1 A:PHE86 4.8 39.0 1.0
CD2 B:DLE11 4.9 23.4 1.0
F1 B:E033 4.9 31.9 1.0
CG B:TDF7 5.0 25.2 1.0

Fluorine binding site 3 out of 4 in 6kzu

Go back to Fluorine Binding Sites List in 6kzu
Fluorine binding site 3 out of 4 in the Macrocyclization of An All-D Linear Peptide Improves Target Affinity and Imparts Cellular Activity: A Novel Stapled Alpha-Helical Peptide Modality


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Macrocyclization of An All-D Linear Peptide Improves Target Affinity and Imparts Cellular Activity: A Novel Stapled Alpha-Helical Peptide Modality within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F7

b:25.0
occ:1.00
F20 B:TDF7 0.0 25.0 1.0
C13 B:TDF7 1.3 27.2 1.0
F21 B:TDF7 2.1 25.3 1.0
F19 B:TDF7 2.2 27.1 1.0
CZ B:TDF7 2.4 25.4 1.0
CE1 B:TDF7 2.8 24.6 1.0
CG2 A:ILE99 3.4 22.4 1.0
CD2 A:LEU54 3.5 22.9 1.0
CE2 B:TDF7 3.6 26.0 1.0
CD1 A:LEU57 3.6 26.8 1.0
CB A:LEU57 4.0 23.8 1.0
CD1 B:TDF7 4.2 24.4 1.0
CD1 A:ILE103 4.4 32.5 1.0
CD1 B:DLE11 4.5 22.3 1.0
CG A:LEU57 4.5 25.8 1.0
CB A:ILE99 4.6 22.3 1.0
CG1 A:ILE99 4.7 23.1 1.0
CD2 B:TDF7 4.7 25.8 1.0
CD1 A:ILE99 4.8 24.0 1.0
CG A:LEU54 4.9 22.1 1.0
CZ A:PHE86 5.0 38.6 1.0
CA A:LEU54 5.0 20.6 1.0

Fluorine binding site 4 out of 4 in 6kzu

Go back to Fluorine Binding Sites List in 6kzu
Fluorine binding site 4 out of 4 in the Macrocyclization of An All-D Linear Peptide Improves Target Affinity and Imparts Cellular Activity: A Novel Stapled Alpha-Helical Peptide Modality


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Macrocyclization of An All-D Linear Peptide Improves Target Affinity and Imparts Cellular Activity: A Novel Stapled Alpha-Helical Peptide Modality within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F7

b:25.3
occ:1.00
F21 B:TDF7 0.0 25.3 1.0
C13 B:TDF7 1.3 27.2 1.0
F20 B:TDF7 2.1 25.0 1.0
F19 B:TDF7 2.1 27.1 1.0
CZ B:TDF7 2.3 25.4 1.0
CE1 B:TDF7 3.1 24.6 1.0
CD1 A:ILE61 3.2 27.1 1.0
CE2 B:TDF7 3.3 26.0 1.0
CB A:LEU57 3.4 23.8 1.0
CD1 A:LEU57 3.8 26.8 1.0
CG A:LEU57 4.2 25.8 1.0
C A:LEU57 4.2 24.0 1.0
O A:LEU57 4.3 24.8 1.0
CD1 B:TDF7 4.4 24.4 1.0
CA A:LEU57 4.5 23.5 1.0
N A:GLY58 4.5 22.8 1.0
CG1 A:ILE61 4.5 26.8 1.0
CD2 B:TDF7 4.5 25.8 1.0
CZ A:PHE91 4.6 27.4 1.0
CD2 A:LEU57 4.6 25.7 1.0
CZ A:PHE86 4.7 38.6 1.0
CE1 A:PHE86 4.8 39.0 1.0
CE2 A:PHE91 4.8 27.4 1.0
CG B:TDF7 5.0 25.2 1.0
CA A:GLY58 5.0 23.6 1.0
CG2 A:ILE99 5.0 22.4 1.0

Reference:

K.Srinivasaraghavan, G.A.Pietro, S.Ng, D.Thean, Y.Frosi, S.Chee, S.Jiang, T.Z.Yuen, A.Sadruddin, Y.K.Hung, A.Chandramohan, J.H.Wong, Y.S.Tan, F.J.Ferrer, P.Arumugam, Y.Han, S.Chen, C.J.Brown, C.W.Johannes, B.Henry, D.P.Lane, T.K.Sawyer, C.S.Verma, P.W.Partridge. Macrocyclization of An All-D Linear Peptide Improves Target Affinity and Imparts Cellular Activity: A Novel Stapled Alpha-Helical Peptide Modality To Be Published.
Page generated: Sun Dec 13 12:56:03 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