Atomistry » Fluorine » PDB 1mmd-1o5f » 1o3n
Atomistry »
  Fluorine »
    PDB 1mmd-1o5f »
      1o3n »

Fluorine in PDB 1o3n: Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors

Enzymatic activity of Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors

All present enzymatic activity of Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors:
3.4.21.4;

Protein crystallography data

The structure of Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors, PDB code: 1o3n was solved by B.A.Katz, K.Elrod, E.Verner, R.L.Mackman, C.Luong, W.D.Shrader, M.Sendzik, J.R.Spencer, P.A.Sprengeler, A.Kolesnikov, V.W.Tai, H.C.Hui, J.G.Breitenbucher, D.Allen, J.W.Janc, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 7.00 / 1.55
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 63.970, 61.760, 69.990, 90.00, 90.00, 90.00
R / Rfree (%) 17 / 19.5

Other elements in 1o3n:

The structure of Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors also contains other interesting chemical elements:

Calcium (Ca) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors (pdb code 1o3n). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors, PDB code: 1o3n:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 1o3n

Go back to Fluorine Binding Sites List in 1o3n
Fluorine binding site 1 out of 6 in the Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F246

b:41.5
occ:0.01
 FV' A:785246 0.0 41.5 0.0
C3X A:785246 1.4 41.5 0.0
HC5' A:785246 2.0 32.0 0.2
FW' A:785246 2.2 42.2 0.0
FX' A:785246 2.2 42.2 0.0
O3' A:785246 2.3 41.2 0.7
HC4' A:785246 2.9 32.1 0.2
C5' A:785246 2.9 31.8 0.2
C4' A:785246 3.3 31.8 0.2
C3' A:785246 3.5 39.2 0.7
HE21 A:GLN192 3.6 27.7 0.5
HC4' A:785246 4.1 37.8 0.7
NE2 A:GLN192 4.1 26.7 0.5
C6' A:785246 4.1 30.1 0.2
HE22 A:GLN192 4.2 27.5 0.5
C4' A:785246 4.2 37.8 0.7
HC2' A:785246 4.4 36.0 0.7
C2' A:785246 4.4 36.3 0.7
O6' A:785246 4.5 29.2 0.2
C3' A:785246 4.7 31.1 0.2

Fluorine binding site 2 out of 6 in 1o3n

Go back to Fluorine Binding Sites List in 1o3n
Fluorine binding site 2 out of 6 in the Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F246

b:31.1
occ:0.11
 FV' A:785246 0.0 31.1 0.1
C3X A:785246 1.4 31.2 0.1
HC5' A:785246 1.6 36.8 0.7
H2 A:HOH370 2.0 61.5 1.0
O3' A:785246 2.2 31.6 0.2
FW' A:785246 2.3 32.0 0.1
FX' A:785246 2.3 32.0 0.1
C5' A:785246 2.5 37.3 0.7
O A:HOH370 2.7 64.0 1.0
HC4' A:785246 2.9 37.8 0.7
C4' A:785246 3.1 37.8 0.7
C3' A:785246 3.4 31.1 0.2
H1 A:HOH370 3.4 61.8 1.0
HD2 A:HIS57 3.5 21.2 1.0
C6' A:785246 3.7 34.5 0.7
O6' A:785246 3.9 32.9 0.7
H2 A:HOH383 4.0 36.4 0.7
HC2' A:785246 4.1 30.0 0.2
HC4' A:785246 4.1 32.1 0.2
C4' A:785246 4.2 31.8 0.2
H1 A:HOH371 4.2 55.0 1.0
C2' A:785246 4.2 30.2 0.2
O A:HOH353 4.4 50.8 1.0
HE22 A:GLN192 4.4 27.5 0.5
C3' A:785246 4.5 39.2 0.7
CD2 A:HIS57 4.5 20.9 1.0
HE2 A:HIS57 4.5 22.6 1.0
O A:HOH371 4.6 53.4 1.0
H2 A:HOH371 4.6 55.0 1.0
H2 A:HOH353 4.6 50.6 1.0
HG A:SER195 4.7 16.1 0.3
HG3 A:GLN192 4.7 23.1 0.5
O A:HOH383 4.7 38.1 0.7
NE2 A:HIS57 4.9 22.9 1.0
C1' A:785246 4.9 34.3 0.7
H1 A:HOH353 4.9 50.6 1.0
HG A:SER195 4.9 20.6 0.7
O A:HIS57 5.0 15.5 1.0

Fluorine binding site 3 out of 6 in 1o3n

Go back to Fluorine Binding Sites List in 1o3n
Fluorine binding site 3 out of 6 in the Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F246

b:42.2
occ:0.01
 FW' A:785246 0.0 42.2 0.0
C3X A:785246 1.4 41.5 0.0
HC5' A:785246 1.7 32.0 0.2
HE21 A:GLN192 2.2 27.7 0.5
FV' A:785246 2.2 41.5 0.0
C5' A:785246 2.2 31.8 0.2
O3' A:785246 2.3 41.2 0.7
FX' A:785246 2.3 42.2 0.0
NE2 A:GLN192 2.5 26.7 0.5
HE22 A:GLN192 2.9 27.5 0.5
C3' A:785246 2.9 39.2 0.7
C4' A:785246 3.0 31.8 0.2
C6' A:785246 3.0 30.1 0.2
CD A:GLN192 3.1 25.2 0.5
HC4' A:785246 3.1 32.1 0.2
HC2' A:785246 3.2 36.0 0.7
O6' A:785246 3.3 29.2 0.2
OE1 A:GLN192 3.3 25.5 0.5
C2' A:785246 3.4 36.3 0.7
HB2 A:GLN192 3.9 21.7 1.0
C4' A:785246 3.9 37.8 0.7
C3' A:785246 4.1 31.1 0.2
C1' A:785246 4.1 29.1 0.2
CG A:GLN192 4.2 22.9 0.5
HG3 A:GLN192 4.2 23.1 0.5
HC4' A:785246 4.2 37.8 0.7
CB A:GLN192 4.5 21.8 1.0
C2' A:785246 4.6 30.2 0.2
C1' A:785246 4.7 34.3 0.7
FW' A:785246 4.7 32.0 0.1
HB3 A:GLN192 4.8 21.4 1.0

Fluorine binding site 4 out of 6 in 1o3n

Go back to Fluorine Binding Sites List in 1o3n
Fluorine binding site 4 out of 6 in the Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F246

b:32.0
occ:0.11
 FW' A:785246 0.0 32.0 0.1
C3X A:785246 1.4 31.2 0.1
HE22 A:GLN192 2.2 27.5 0.5
FV' A:785246 2.3 31.1 0.1
FX' A:785246 2.3 32.0 0.1
HC4' A:785246 2.3 37.8 0.7
O3' A:785246 2.3 31.6 0.2
HC5' A:785246 2.4 36.8 0.7
C4' A:785246 2.4 37.8 0.7
C5' A:785246 2.5 37.3 0.7
C3' A:785246 2.8 31.1 0.2
HG3 A:GLN192 3.0 23.1 0.5
H2 A:HOH370 3.0 61.5 1.0
HC4' A:785246 3.1 32.1 0.2
C4' A:785246 3.2 31.8 0.2
NE2 A:GLN192 3.2 26.7 0.5
FX' A:785246 3.4 42.2 0.0
O A:HOH370 3.4 64.0 1.0
C3' A:785246 3.5 39.2 0.7
C6' A:785246 3.6 34.5 0.7
H1 A:HOH370 3.7 61.8 1.0
C2' A:785246 3.7 30.2 0.2
HE21 A:GLN192 3.8 27.7 0.5
CG A:GLN192 3.8 22.9 0.5
CD A:GLN192 3.9 25.2 0.5
H2 A:HOH383 4.0 36.4 0.7
HC2' A:785246 4.0 30.0 0.2
HG2 A:GLN192 4.1 23.3 0.5
O3' A:785246 4.1 41.2 0.7
C3X A:785246 4.2 41.5 0.0
C2' A:785246 4.3 36.3 0.7
C5' A:785246 4.3 31.8 0.2
C1' A:785246 4.3 34.3 0.7
O6' A:785246 4.3 32.9 0.7
O A:HOH383 4.5 38.1 0.7
H1 A:HOH322 4.7 50.4 1.0
C1' A:785246 4.7 29.1 0.2
FW' A:785246 4.7 42.2 0.0
H A:GLY193 4.9 18.6 1.0
HC5' A:785246 4.9 32.0 0.2
C6' A:785246 5.0 30.1 0.2

Fluorine binding site 5 out of 6 in 1o3n

Go back to Fluorine Binding Sites List in 1o3n
Fluorine binding site 5 out of 6 in the Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F246

b:42.2
occ:0.01
 FX' A:785246 0.0 42.2 0.0
C3X A:785246 1.4 41.5 0.0
HC4' A:785246 1.9 32.1 0.2
HE21 A:GLN192 2.2 27.7 0.5
FV' A:785246 2.2 41.5 0.0
HE22 A:GLN192 2.3 27.5 0.5
FW' A:785246 2.3 42.2 0.0
O3' A:785246 2.3 41.2 0.7
NE2 A:GLN192 2.5 26.7 0.5
C4' A:785246 2.5 31.8 0.2
HC4' A:785246 2.7 37.8 0.7
HC5' A:785246 2.7 32.0 0.2
C3' A:785246 2.9 39.2 0.7
C5' A:785246 2.9 31.8 0.2
C4' A:785246 3.1 37.8 0.7
FW' A:785246 3.4 32.0 0.1
C3' A:785246 3.6 31.1 0.2
CD A:GLN192 3.7 25.2 0.5
O3' A:785246 4.0 31.6 0.2
C2' A:785246 4.1 36.3 0.7
C6' A:785246 4.2 30.1 0.2
C3X A:785246 4.3 31.2 0.1
C5' A:785246 4.3 37.3 0.7
HG3 A:GLN192 4.4 23.1 0.5
OE1 A:GLN192 4.4 25.5 0.5
HC2' A:785246 4.5 36.0 0.7
CG A:GLN192 4.7 22.9 0.5
C2' A:785246 4.7 30.2 0.2
HC5' A:785246 4.9 36.8 0.7
C1' A:785246 5.0 29.1 0.2

Fluorine binding site 6 out of 6 in 1o3n

Go back to Fluorine Binding Sites List in 1o3n
Fluorine binding site 6 out of 6 in the Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F246

b:32.0
occ:0.11
 FX' A:785246 0.0 32.0 0.1
C3X A:785246 1.4 31.2 0.1
HC5' A:785246 1.7 36.8 0.7
H2 A:HOH383 1.9 36.4 0.7
C5' A:785246 2.0 37.3 0.7
H2 A:HOH370 2.0 61.5 1.0
FV' A:785246 2.3 31.1 0.1
FW' A:785246 2.3 32.0 0.1
O3' A:785246 2.3 31.6 0.2
C6' A:785246 2.3 34.5 0.7
O6' A:785246 2.4 32.9 0.7
O A:HOH383 2.5 38.1 0.7
HC2' A:785246 2.7 30.0 0.2
O A:HOH370 2.8 64.0 1.0
C3' A:785246 2.8 31.1 0.2
H1 A:HOH370 2.9 61.8 1.0
HG3 A:GLN192 2.9 23.1 0.5
HG A:SER195 3.0 16.1 0.3
C2' A:785246 3.0 30.2 0.2
C4' A:785246 3.1 37.8 0.7
H1 A:HOH383 3.2 36.3 0.7
HG A:SER195 3.3 20.6 0.7
OG A:SER195 3.5 14.6 0.3
C1' A:785246 3.5 34.3 0.7
HE2 A:HIS57 3.5 22.6 1.0
H A:GLY193 3.5 18.6 1.0
HC4' A:785246 3.5 37.8 0.7
HE22 A:GLN192 3.7 27.5 0.5
HB2 A:SER195 3.8 17.3 0.7
HN3 A:785246 3.8 24.2 0.2
HN3 A:785246 3.8 25.8 0.7
CG A:GLN192 4.0 22.9 0.5
C4' A:785246 4.0 31.8 0.2
C3' A:785246 4.0 39.2 0.7
HD2 A:HIS57 4.0 21.2 1.0
HA A:GLN192 4.1 20.4 1.0
OG A:SER195 4.1 20.8 0.7
C2' A:785246 4.2 36.3 0.7
HG2 A:GLN192 4.2 23.3 0.5
C1' A:785246 4.2 29.1 0.2
NE2 A:HIS57 4.3 22.9 1.0
HB2 A:SER195 4.4 14.4 0.3
HC4' A:785246 4.4 32.1 0.2
N A:GLY193 4.4 17.9 1.0
CB A:SER195 4.4 17.0 0.7
C8 A:785246 4.4 29.1 0.7
N3 A:785246 4.5 25.4 0.7
CB A:SER195 4.5 14.4 0.3
CD2 A:HIS57 4.6 20.9 1.0
NE2 A:GLN192 4.6 26.7 0.5
N3 A:785246 4.6 24.4 0.2
O A:PHE41 4.7 15.7 1.0
CA A:GLN192 4.8 20.8 1.0
HB3 A:SER195 4.8 17.3 0.7
CD A:GLN192 4.8 25.2 0.5
CB A:GLN192 4.9 21.8 1.0
C8 A:785246 4.9 26.7 0.2
HB3 A:SER195 4.9 14.2 0.3
HB2 A:GLN192 5.0 21.7 1.0
HA2 A:GLY193 5.0 17.9 1.0
C5' A:785246 5.0 31.8 0.2

Reference:

B.A.Katz, K.Elrod, E.Verner, R.L.Mackman, C.Luong, W.D.Shrader, M.Sendzik, J.R.Spencer, P.A.Sprengeler, A.Kolesnikov, V.W.Tai, H.C.Hui, J.G.Breitenbucher, D.Allen, J.W.Janc. Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors. J.Mol.Biol. V. 329 93 2003.
ISSN: ISSN 0022-2836
PubMed: 12742021
DOI: 10.1016/S0022-2836(03)00399-1
Page generated: Wed Jul 31 12:12:50 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy