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Bromine in PDB 1o2x: 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: 1o2x 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 / 1.46
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 63.710, 63.220, 69.520, 90.00, 90.00, 90.00
R / Rfree (%) 21.7 / 23.1

Other elements in 1o2x:

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 1o2x). 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: 1o2x:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in 1o2x

Go back to Bromine Binding Sites List in 1o2x
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:27.3
occ:0.47
 BR5' A:847246 0.0 27.3 0.5
BR5' A:847246 1.2 16.5 0.4
C5' A:847246 1.9 25.2 0.5
HD2 A:HIS57 2.7 14.0 1.0
C5' A:847246 2.8 21.2 0.4
C4' A:847246 2.9 26.2 0.5
C6' A:847246 2.9 22.2 0.5
HC4' A:847246 2.9 26.6 0.5
H2 A:HOH383 3.0 30.2 1.0
O6' A:847246 3.1 19.7 0.5
O6' A:847246 3.2 16.2 0.4
H1 A:HOH322 3.3 43.6 1.0
C6' A:847246 3.5 19.2 0.4
HE2 A:HIS57 3.5 15.0 1.0
CD2 A:HIS57 3.5 13.7 1.0
O A:HOH322 3.6 43.9 1.0
O A:HOH383 3.6 30.6 1.0
NE2 A:HIS57 3.9 14.8 1.0
C4' A:847246 3.9 23.7 0.4
HC4' A:847246 3.9 24.7 0.4
H2 A:HOH322 4.0 44.1 1.0
HG A:SER195 4.2 15.3 1.0
C3' A:847246 4.2 27.1 0.5
H1 A:HOH383 4.2 30.8 1.0
C1' A:847246 4.2 22.4 0.5
HG3 A:GLN192 4.3 15.8 0.3
O A:HIS57 4.5 12.4 1.0
HE22 A:GLN192 4.5 17.7 0.3
HA A:CYS58 4.7 12.3 1.0
C2' A:847246 4.7 25.5 0.5
H42A A:847246 4.8 29.0 0.2
HB2 A:SER195 4.8 13.1 1.0
C1' A:847246 4.9 21.1 0.4
CG A:HIS57 4.9 14.6 1.0
HN3 A:847246 4.9 18.2 0.5
SG A:CYS42 4.9 11.7 1.0
HN3 A:847246 5.0 18.9 0.4

Bromine binding site 2 out of 2 in 1o2x

Go back to Bromine Binding Sites List in 1o2x
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:16.5
occ:0.43
 BR5' A:847246 0.0 16.5 0.4
BR5' A:847246 1.2 27.3 0.5
C5' A:847246 1.3 25.2 0.5
C4' A:847246 1.9 26.2 0.5
C5' A:847246 1.9 21.2 0.4
HC4' A:847246 1.9 26.6 0.5
C6' A:847246 2.6 22.2 0.5
C4' A:847246 2.8 23.7 0.4
C6' A:847246 2.9 19.2 0.4
HC4' A:847246 2.9 24.7 0.4
O6' A:847246 3.0 16.2 0.4
HD2 A:HIS57 3.0 14.0 1.0
O6' A:847246 3.2 19.7 0.5
C3' A:847246 3.2 27.1 0.5
H2 A:HOH383 3.3 30.2 1.0
C1' A:847246 3.7 22.4 0.5
HE2 A:HIS57 3.8 15.0 1.0
CD2 A:HIS57 3.8 13.7 1.0
C2' A:847246 3.9 25.5 0.5
H42A A:847246 3.9 29.0 0.2
H1 A:HOH322 3.9 43.6 1.0
HE22 A:GLN192 4.0 17.7 0.3
HG3 A:GLN192 4.1 15.8 0.3
O A:HOH383 4.1 30.6 1.0
C3' A:847246 4.2 26.4 0.4
NE2 A:HIS57 4.2 14.8 1.0
C1' A:847246 4.2 21.1 0.4
O A:HOH322 4.2 43.9 1.0
CVX A:847246 4.4 28.4 0.2
HG A:SER195 4.5 15.3 1.0
C2' A:847246 4.7 23.6 0.4
C6X A:847246 4.7 29.2 0.2
H42A A:847246 4.7 31.6 0.4
OYX A:847246 4.7 30.1 0.2
H1 A:HOH383 4.7 30.8 1.0
NE2 A:GLN192 4.8 18.1 0.3
HN3 A:847246 4.9 18.9 0.4
H2 A:HOH322 4.9 44.1 1.0
HC2' A:847246 4.9 25.3 0.5
HN3 A:847246 4.9 18.2 0.5
C8 A:847246 4.9 20.4 0.5

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 17:04:44 2024

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