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Bromine in PDB 1o2y: 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: 1o2y 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 / 1.45
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 63.930, 61.940, 69.960, 90.00, 90.00, 90.00
R / Rfree (%) 20.4 / 22.4

Other elements in 1o2y:

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

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 1o2y). 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: 1o2y:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in 1o2y

Go back to Bromine Binding Sites List in 1o2y
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:31.1
occ:0.28
 BR5' A:847246 0.0 31.1 0.3
BR5' A:847246 1.3 30.7 0.6
C5' A:847246 2.0 32.1 0.3
HD2 A:HIS57 2.8 19.1 1.0
H1 A:HOH322 2.8 46.7 1.0
C5' A:847246 2.8 30.1 0.6
C6' A:847246 2.9 30.1 0.3
C4' A:847246 3.0 32.6 0.3
H2 A:HOH383 3.0 26.2 0.9
HC4' A:847246 3.0 32.9 0.3
O6' A:847246 3.0 29.9 0.3
O6' A:847246 3.1 22.7 0.6
O A:HOH322 3.1 49.0 1.0
C6' A:847246 3.4 26.3 0.6
HE2 A:HIS57 3.5 20.0 1.0
O A:HOH383 3.5 27.9 0.9
CD2 A:HIS57 3.6 18.7 1.0
H2 A:HOH322 3.7 46.6 1.0
HC4' A:847246 3.8 30.7 0.6
C4' A:847246 3.8 30.5 0.6
HG A:SER195 3.8 17.2 0.3
NE2 A:HIS57 3.9 19.9 1.0
HG A:SER195 4.0 16.4 1.0
H1 A:HOH383 4.2 26.6 0.9
HG3 A:GLN192 4.2 23.6 0.5
HE22 A:GLN192 4.2 26.8 0.5
C3' A:847246 4.3 33.3 0.3
C1' A:847246 4.3 30.0 0.3
O A:HIS57 4.4 17.1 1.0
HB2 A:SER195 4.4 16.7 1.0
HA A:CYS58 4.5 15.2 1.0
HB2 A:SER195 4.6 16.2 0.3
OG A:SER195 4.7 16.9 0.3
SG A:CYS42 4.7 15.7 1.0
H42A A:847246 4.8 36.1 0.0
C2' A:847246 4.8 32.0 0.3
C1' A:847246 4.8 26.9 0.6
H2 A:HOH623 4.8 54.3 1.0
HN3 A:847246 4.9 25.8 0.3
OG A:SER195 4.9 16.7 1.0
CG A:HIS57 4.9 17.5 1.0
HN3 A:847246 4.9 21.2 0.6

Bromine binding site 2 out of 2 in 1o2y

Go back to Bromine Binding Sites List in 1o2y
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:30.7
occ:0.57
 BR5' A:847246 0.0 30.7 0.6
C5' A:847246 1.3 32.1 0.3
BR5' A:847246 1.3 31.1 0.3
C4' A:847246 1.8 32.6 0.3
HC4' A:847246 1.8 32.9 0.3
C5' A:847246 1.9 30.1 0.6
C6' A:847246 2.6 30.1 0.3
HC4' A:847246 2.6 30.7 0.6
C4' A:847246 2.7 30.5 0.6
C6' A:847246 2.9 26.3 0.6
O6' A:847246 3.0 22.7 0.6
HD2 A:HIS57 3.1 19.1 1.0
C3' A:847246 3.2 33.3 0.3
O6' A:847246 3.2 29.9 0.3
H2 A:HOH383 3.4 26.2 0.9
H1 A:HOH322 3.6 46.7 1.0
HE22 A:GLN192 3.6 26.8 0.5
H42A A:847246 3.7 36.1 0.0
C1' A:847246 3.7 30.0 0.3
HE2 A:HIS57 3.9 20.0 1.0
C2' A:847246 3.9 32.0 0.3
CD2 A:HIS57 3.9 18.7 1.0
O A:HOH322 3.9 49.0 1.0
C3' A:847246 4.0 31.8 0.6
HG3 A:GLN192 4.0 23.6 0.5
O A:HOH383 4.1 27.9 0.9
C1' A:847246 4.2 26.9 0.6
NE2 A:HIS57 4.2 19.9 1.0
H2 A:HOH623 4.3 54.3 1.0
H42A A:847246 4.3 35.7 0.3
CVX A:847246 4.4 34.5 0.0
HG A:SER195 4.4 16.4 1.0
C6X A:847246 4.5 35.6 0.0
NE2 A:GLN192 4.5 27.6 0.5
C2' A:847246 4.6 29.6 0.6
HG A:SER195 4.6 17.2 0.3
H2 A:HOH322 4.7 46.6 1.0
OYX A:847246 4.8 33.7 0.0
H1 A:HOH383 4.8 26.6 0.9
O A:HOH623 4.9 54.2 1.0
HN3 A:847246 4.9 21.2 0.6
HC2' A:847246 5.0 32.3 0.3
HN3 A:847246 5.0 25.8 0.3
O A:HIS57 5.0 17.1 1.0
CG A:GLN192 5.0 23.5 0.5
C8 A:847246 5.0 27.1 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 17:05:31 2024

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