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Bromine in PDB 1o3j: 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: 1o3j 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 / 1.40
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 63.960, 61.850, 70.100, 90.00, 90.00, 90.00
R / Rfree (%) 18.8 / 19.8

Other elements in 1o3j:

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 1o3j). 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: 1o3j:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in 1o3j

Go back to Bromine Binding Sites List in 1o3j
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:51.9
occ:0.35
 BR5' A:334246 0.0 51.9 0.3
BR5' A:334246 1.3 54.3 0.5
C5' A:334246 2.0 43.4 0.3
H1 A:HOH370 2.4 54.4 1.0
HD2 A:HIS57 2.6 19.3 1.0
C5' A:334246 2.8 46.2 0.5
C6' A:334246 2.9 39.9 0.3
C4' A:334246 2.9 43.0 0.3
H1 A:HOH383 3.0 25.1 0.5
O6' A:334246 3.0 43.0 0.5
HC4' A:334246 3.0 43.8 0.3
O6' A:334246 3.1 38.1 0.3
HE2 A:HIS57 3.3 20.6 1.0
O A:HOH370 3.3 56.9 1.0
C6' A:334246 3.4 43.0 0.5
CD2 A:HIS57 3.5 18.7 1.0
O A:HOH383 3.6 25.2 0.5
NE2 A:HIS57 3.7 21.1 1.0
H2 A:HOH370 3.8 54.5 1.0
HG A:SER195 3.8 17.8 0.5
C4' A:334246 3.9 45.5 0.5
HG A:SER195 4.1 16.6 0.5
HC4' A:334246 4.1 45.6 0.5
H2 A:HOH623 4.1 60.5 1.0
H2 A:HOH383 4.2 25.1 0.5
HG3 A:GLN192 4.2 25.6 0.4
C3' A:334246 4.2 41.8 0.3
C1' A:334246 4.3 37.1 0.3
HB2 A:SER195 4.4 16.4 0.5
O A:HIS57 4.5 15.3 1.0
OG A:SER195 4.6 17.0 0.5
HB2 A:SER195 4.6 15.8 0.5
HE22 A:GLN192 4.7 28.3 0.4
OG A:SER195 4.7 18.4 0.5
HA A:CYS58 4.7 15.4 1.0
C2' A:334246 4.8 39.2 0.3
C1' A:334246 4.8 39.6 0.5
HN3 A:334246 4.8 31.0 0.5
CG A:HIS57 4.8 17.2 1.0
HN3 A:334246 4.8 29.7 0.3
O A:HOH623 4.9 60.2 1.0
SG A:CYS42 4.9 12.9 1.0
CB A:SER195 4.9 16.6 0.5
HG2 A:GLN192 4.9 25.6 0.4
HB3 A:SER195 5.0 16.6 0.5

Bromine binding site 2 out of 2 in 1o3j

Go back to Bromine Binding Sites List in 1o3j
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:54.3
occ:0.52
 BR5' A:334246 0.0 54.3 0.5
BR5' A:334246 1.3 51.9 0.3
C5' A:334246 1.4 43.4 0.3
HC4' A:334246 1.8 43.8 0.3
C4' A:334246 1.8 43.0 0.3
C5' A:334246 1.9 46.2 0.5
C4' A:334246 2.7 45.5 0.5
C6' A:334246 2.8 39.9 0.3
HC4' A:334246 2.8 45.6 0.5
C6' A:334246 2.9 43.0 0.5
H1 A:HOH370 3.0 54.4 1.0
C3' A:334246 3.2 41.8 0.3
O6' A:334246 3.2 43.0 0.5
H1 A:HOH383 3.4 25.1 0.5
O6' A:334246 3.5 38.1 0.3
HD2 A:HIS57 3.5 19.3 1.0
O A:HOH370 3.8 56.9 1.0
C1' A:334246 3.8 37.1 0.3
HG3 A:GLN192 3.8 25.6 0.4
C2' A:334246 4.0 39.2 0.3
C3' A:334246 4.1 44.0 0.5
H2 A:HOH623 4.1 60.5 1.0
HE2 A:HIS57 4.1 20.6 1.0
O A:HOH383 4.1 25.2 0.5
HE22 A:GLN192 4.2 28.3 0.4
CV' A:334246 4.2 42.0 0.3
C1' A:334246 4.2 39.6 0.5
H32' A:334246 4.2 42.4 0.3
CD2 A:HIS57 4.3 18.7 1.0
H34' A:334246 4.4 42.4 0.3
NE2 A:GLN192 4.5 28.5 0.4
HG A:SER195 4.5 17.8 0.5
H2 A:HOH370 4.5 54.5 1.0
NE2 A:HIS57 4.6 21.1 1.0
CG A:GLN192 4.6 25.0 0.4
C2' A:334246 4.6 42.0 0.5
CD A:GLN192 4.7 26.9 0.4
HG A:SER195 4.7 16.6 0.5
HG2 A:GLN192 4.8 25.6 0.4
H2 A:HOH383 4.9 25.1 0.5
HN3 A:334246 4.9 31.0 0.5
HE21 A:GLN192 4.9 28.4 0.4
O A:HOH623 4.9 60.2 1.0

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 17:06:05 2024

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