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Fluorine in PDB 1o3m: 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: 1o3m 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 (°) 63.770, 63.520, 69.420, 90.00, 90.00, 90.00
R / Rfree (%) 17.3 / 20

Other elements in 1o3m:

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
Chlorine (Cl) 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 1o3m). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 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: 1o3m:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 1o3m

Go back to Fluorine Binding Sites List in 1o3m
Fluorine binding site 1 out of 3 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:43.8
occ:0.27
 FV' A:785246 0.0 43.8 0.3
C3X A:785246 1.4 43.7 0.3
O3' A:785246 2.3 43.1 0.7
FX' A:785246 2.3 45.9 0.3
FW' A:785246 2.3 43.8 0.3
C3' A:785246 3.4 41.7 0.7
HE21 A:GLN192 3.8 27.7 0.3
HC4' A:785246 4.1 41.8 0.7
NE2 A:GLN192 4.2 28.2 0.3
HE22 A:GLN192 4.2 27.4 0.3
HC2' A:785246 4.2 40.5 0.7
C4' A:785246 4.3 41.9 0.7
C2' A:785246 4.3 41.2 0.7

Fluorine binding site 2 out of 3 in 1o3m

Go back to Fluorine Binding Sites List in 1o3m
Fluorine binding site 2 out of 3 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:43.8
occ:0.27
 FW' A:785246 0.0 43.8 0.3
C3X A:785246 1.4 43.7 0.3
O3' A:785246 2.3 43.1 0.7
FV' A:785246 2.3 43.8 0.3
FX' A:785246 2.4 45.9 0.3
HE21 A:GLN192 2.6 27.7 0.3
NE2 A:GLN192 2.6 28.2 0.3
C3' A:785246 2.8 41.7 0.7
HC2' A:785246 2.9 40.5 0.7
HE22 A:GLN192 2.9 27.4 0.3
CD A:GLN192 3.0 27.3 0.3
C2' A:785246 3.1 41.2 0.7
OE1 A:GLN192 3.4 30.1 0.3
HB2 A:GLN192 3.4 25.2 1.0
HG3 A:GLN192 3.8 25.9 0.3
C4' A:785246 3.8 41.9 0.7
CG A:GLN192 3.9 26.5 0.3
CB A:GLN192 4.1 25.5 1.0
HC4' A:785246 4.2 41.8 0.7
C1' A:785246 4.3 40.9 0.7
HB3 A:GLN192 4.5 25.1 1.0
C5' A:785246 4.9 42.0 0.7
HG2 A:GLN192 4.9 26.3 0.3

Fluorine binding site 3 out of 3 in 1o3m

Go back to Fluorine Binding Sites List in 1o3m
Fluorine binding site 3 out of 3 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:45.9
occ:0.27
 FX' A:785246 0.0 45.9 0.3
C3X A:785246 1.4 43.7 0.3
HE22 A:GLN192 2.2 27.4 0.3
FV' A:785246 2.3 43.8 0.3
O3' A:785246 2.3 43.1 0.7
FW' A:785246 2.4 43.8 0.3
HE21 A:GLN192 2.6 27.7 0.3
NE2 A:GLN192 2.6 28.2 0.3
HC4' A:785246 2.7 41.8 0.7
C3' A:785246 2.8 41.7 0.7
C4' A:785246 3.0 41.9 0.7
CD A:GLN192 3.7 27.3 0.3
C2' A:785246 4.0 41.2 0.7
HG3 A:GLN192 4.0 25.9 0.3
C5' A:785246 4.3 42.0 0.7
HC2' A:785246 4.4 40.5 0.7
CG A:GLN192 4.5 26.5 0.3
OE1 A:GLN192 4.5 30.1 0.3
HC5' A:785246 4.8 41.6 0.7
HB2 A:GLN192 4.9 25.2 1.0
C1' A:785246 5.0 40.9 0.7

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 12:12:20 2024

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