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Bromine in PDB 1o2v: 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: 1o2v 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 / 1.50
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 63.660, 63.020, 69.420, 90.00, 90.00, 90.00
R / Rfree (%) 21.1 / 23.1

Other elements in 1o2v:

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

Bromine Binding Sites:

The binding sites of Bromine atom in the Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors (pdb code 1o2v). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors, PDB code: 1o2v:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in 1o2v

Go back to Bromine Binding Sites List in 1o2v
Bromine binding site 1 out of 2 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 Bromine with other atoms in the Br 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:Br246

b:24.1
occ:0.57
 BR5' A:847246 0.0 24.1 0.6
BR5' A:847246 1.4 27.1 0.3
C5' A:847246 2.0 23.0 0.6
HD2 A:HIS57 2.6 17.5 1.0
C6' A:847246 3.0 20.6 0.6
C4' A:847246 3.0 22.6 0.6
HC4' A:847246 3.1 23.2 0.6
O6' A:847246 3.1 19.1 0.6
C5' A:847246 3.2 25.8 0.3
O6' A:847246 3.4 20.9 0.3
CD2 A:HIS57 3.5 17.7 1.0
O A:HOH322 3.7 38.9 1.0
HE2 A:HIS57 3.7 17.3 1.0
H2 A:HOH383 3.7 33.6 1.0
C6' A:847246 3.8 24.6 0.3
H2 A:HOH322 3.9 38.5 1.0
NE2 A:HIS57 4.0 17.5 1.0
H1 A:HOH322 4.0 39.1 1.0
O A:HIS57 4.1 16.4 1.0
HG A:SER195 4.2 16.7 1.0
C4' A:847246 4.2 26.3 0.3
HA A:CYS58 4.2 14.4 1.0
HC4' A:847246 4.3 26.6 0.3
C1' A:847246 4.3 21.2 0.6
C3' A:847246 4.3 23.9 0.6
O A:HOH383 4.5 33.2 1.0
SG A:CYS42 4.6 15.4 1.0
HB2 A:SER195 4.6 14.0 1.0
C2' A:847246 4.8 24.4 0.6
HG3 A:GLN192 4.8 23.1 0.3
CG A:HIS57 4.8 16.0 1.0
H1 A:HOH383 5.0 33.4 1.0
HE22 A:GLN192 5.0 24.6 0.3
HN3 A:847246 5.0 18.8 0.6

Bromine binding site 2 out of 2 in 1o2v

Go back to Bromine Binding Sites List in 1o2v
Bromine binding site 2 out of 2 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 Bromine with other atoms in the Br 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:Br246

b:27.1
occ:0.33
 BR5' A:847246 0.0 27.1 0.3
C5' A:847246 1.0 23.0 0.6
BR5' A:847246 1.4 24.1 0.6
C4' A:847246 1.7 22.6 0.6
HC4' A:847246 1.9 23.2 0.6
C5' A:847246 1.9 25.8 0.3
C6' A:847246 2.3 20.6 0.6
C6' A:847246 2.8 24.6 0.3
C4' A:847246 2.9 26.3 0.3
O6' A:847246 2.9 20.9 0.3
HC4' A:847246 2.9 26.6 0.3
C3' A:847246 3.0 23.9 0.6
O6' A:847246 3.0 19.1 0.6
HD2 A:HIS57 3.2 17.5 1.0
C1' A:847246 3.4 21.2 0.6
C2' A:847246 3.6 24.4 0.6
H2 A:HOH383 3.8 33.6 1.0
HE2 A:HIS57 3.9 17.3 1.0
CD2 A:HIS57 4.0 17.7 1.0
H42A A:847246 4.0 27.9 0.2
HE22 A:GLN192 4.0 24.6 0.3
O A:HOH322 4.0 38.9 1.0
HG3 A:GLN192 4.1 23.1 0.3
C3' A:847246 4.2 26.9 0.3
C1' A:847246 4.2 25.0 0.3
H2 A:HOH322 4.2 38.5 1.0
NE2 A:HIS57 4.3 17.5 1.0
CVX A:847246 4.3 25.8 0.2
HG A:SER195 4.3 16.7 1.0
H1 A:HOH322 4.7 39.1 1.0
C2' A:847246 4.7 26.5 0.3
O A:HOH383 4.7 33.2 1.0
C6X A:847246 4.7 27.8 0.2
HC2' A:847246 4.7 23.8 0.6
C8 A:847246 4.7 20.1 0.6
HN3 A:847246 4.8 18.8 0.6
HN3 A:847246 4.8 23.8 0.3
OYX A:847246 4.8 25.6 0.2
H42A A:847246 4.8 27.9 0.1
NE2 A:GLN192 4.9 25.1 0.3

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 10 17:04:25 2024

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