Atomistry » Fluorine » PDB 4e3n-4f9m » 4est
Atomistry »
  Fluorine »
    PDB 4e3n-4f9m »
      4est »

Fluorine in PDB 4est: Crystal Structure of the Covalent Complex Formed By A Peptidyl Alpha, Alpha-Difluoro-Beta-Keto Amide with Porcine Pancreatic Elastase at 1.78-Angstroms Resolution

Enzymatic activity of Crystal Structure of the Covalent Complex Formed By A Peptidyl Alpha, Alpha-Difluoro-Beta-Keto Amide with Porcine Pancreatic Elastase at 1.78-Angstroms Resolution

All present enzymatic activity of Crystal Structure of the Covalent Complex Formed By A Peptidyl Alpha, Alpha-Difluoro-Beta-Keto Amide with Porcine Pancreatic Elastase at 1.78-Angstroms Resolution:
3.4.21.36;

Protein crystallography data

The structure of Crystal Structure of the Covalent Complex Formed By A Peptidyl Alpha, Alpha-Difluoro-Beta-Keto Amide with Porcine Pancreatic Elastase at 1.78-Angstroms Resolution, PDB code: 4est was solved by L.H.Takahashi, R.Radhakrishnan, R.E.Rosenfieldjunior, E.F.Meyerjunior, D.A.Trainor, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 7.00 / 1.78
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 51.240, 58.170, 75.540, 90.00, 90.00, 90.00
R / Rfree (%) 16 / n/a

Other elements in 4est:

The structure of Crystal Structure of the Covalent Complex Formed By A Peptidyl Alpha, Alpha-Difluoro-Beta-Keto Amide with Porcine Pancreatic Elastase at 1.78-Angstroms Resolution also contains other interesting chemical elements:

Calcium (Ca) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of the Covalent Complex Formed By A Peptidyl Alpha, Alpha-Difluoro-Beta-Keto Amide with Porcine Pancreatic Elastase at 1.78-Angstroms Resolution (pdb code 4est). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of the Covalent Complex Formed By A Peptidyl Alpha, Alpha-Difluoro-Beta-Keto Amide with Porcine Pancreatic Elastase at 1.78-Angstroms Resolution, PDB code: 4est:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 4est

Go back to Fluorine Binding Sites List in 4est
Fluorine binding site 1 out of 2 in the Crystal Structure of the Covalent Complex Formed By A Peptidyl Alpha, Alpha-Difluoro-Beta-Keto Amide with Porcine Pancreatic Elastase at 1.78-Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of the Covalent Complex Formed By A Peptidyl Alpha, Alpha-Difluoro-Beta-Keto Amide with Porcine Pancreatic Elastase at 1.78-Angstroms Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
I:F5

b:23.9
occ:1.00
 F1 I:FPA5 0.0 23.9 1.0
C1 I:FPA5 1.3 23.1 1.0
F2 I:FPA5 1.9 19.5 1.0
C2 I:FPA5 2.2 19.5 1.0
O1 I:FPA5 2.3 21.5 1.0
C I:VAI4 2.4 19.6 1.0
NE2 E:HIS57 2.8 8.2 1.0
O I:PRO3 2.9 21.8 1.0
OG E:SER195 3.1 21.7 1.0
CA I:VAI4 3.1 21.1 1.0
C I:PRO3 3.1 19.5 1.0
N I:PEA6 3.2 20.1 1.0
CD2 E:HIS57 3.2 10.0 1.0
N I:VAI4 3.2 20.3 1.0
O I:VAI4 3.5 20.1 1.0
CB E:SER195 3.7 6.6 1.0
CE1 E:HIS57 4.0 8.5 1.0
CB I:PRO3 4.1 20.0 1.0
CA I:PRO3 4.2 20.0 1.0
C1 I:PEA6 4.4 19.4 1.0
CG E:HIS57 4.5 4.7 1.0
CB I:VAI4 4.6 19.0 1.0
ND1 E:HIS57 4.9 8.7 1.0

Fluorine binding site 2 out of 2 in 4est

Go back to Fluorine Binding Sites List in 4est
Fluorine binding site 2 out of 2 in the Crystal Structure of the Covalent Complex Formed By A Peptidyl Alpha, Alpha-Difluoro-Beta-Keto Amide with Porcine Pancreatic Elastase at 1.78-Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of the Covalent Complex Formed By A Peptidyl Alpha, Alpha-Difluoro-Beta-Keto Amide with Porcine Pancreatic Elastase at 1.78-Angstroms Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
I:F5

b:19.5
occ:1.00
 F2 I:FPA5 0.0 19.5 1.0
C1 I:FPA5 1.3 23.1 1.0
F1 I:FPA5 1.9 23.9 1.0
C2 I:FPA5 2.0 19.5 1.0
N I:PEA6 2.0 20.1 1.0
C I:VAI4 2.3 19.6 1.0
CA I:VAI4 2.7 21.1 1.0
O I:VAI4 2.8 20.1 1.0
O1 I:FPA5 2.8 21.5 1.0
O I:PRO3 3.1 21.8 1.0
C1 I:PEA6 3.4 19.4 1.0
N I:VAI4 3.4 20.3 1.0
CG E:GLN192 3.6 15.8 1.0
C I:PRO3 3.6 19.5 1.0
OG E:SER195 3.7 21.7 1.0
CA E:GLN192 3.8 4.0 1.0
CB E:GLN192 3.8 8.9 1.0
C2 I:PEA6 3.9 21.2 1.0
N E:GLY193 3.9 4.7 1.0
CB I:VAI4 4.0 19.0 1.0
C E:GLN192 4.3 12.8 1.0
CB E:SER195 4.4 6.6 1.0
NE2 E:HIS57 4.6 8.2 1.0
CG1 I:VAI4 4.6 19.0 1.0
CD E:GLN192 4.7 16.5 1.0

Reference:

L.H.Takahashi, R.Radhakrishnan, R.E.Rosenfieldjunior, E.F.Meyerjunior, D.A.Trainor. Crystal Structure of the Covalent Complex Formed By A Peptidyl Alpha,Alpha-Difluoro-Beta-Keto Amide with Porcine Pancreatic Elastase at 1.78-Angstroms Resolution J.Am.Chem.Soc. V. 111 3368 1989.
ISSN: ISSN 0002-7863
Page generated: Thu Aug 1 01:22:10 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy