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Bromine in PDB 1o2w: 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: 1o2w 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 / 1.38
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 63.780, 63.240, 69.330, 90.00, 90.00, 90.00
R / Rfree (%) 20.3 / 22.8

Other elements in 1o2w:

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 1o2w). 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: 1o2w:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in 1o2w

Go back to Bromine Binding Sites List in 1o2w
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:27.4
occ:0.48
 BR5' A:847246 0.0 27.4 0.5
BR5' A:847246 1.4 22.7 0.4
C5' A:847246 2.0 26.8 0.5
H2 A:HOH322 2.6 47.0 1.0
O A:HOH322 2.7 47.7 1.0
HD2 A:HIS57 2.7 14.5 1.0
H2 A:HOH383 2.9 30.9 1.0
C4' A:847246 3.0 27.6 0.5
C6' A:847246 3.0 24.9 0.5
HC4' A:847246 3.0 28.4 0.5
C5' A:847246 3.1 25.4 0.4
O6' A:847246 3.1 23.6 0.5
O6' A:847246 3.2 23.1 0.4
HE2 A:HIS57 3.6 15.0 1.0
O A:HOH383 3.6 32.3 1.0
CD2 A:HIS57 3.6 14.9 1.0
H1 A:HOH322 3.6 47.1 1.0
C6' A:847246 3.6 24.6 0.4
NE2 A:HIS57 3.9 14.7 1.0
HG A:SER195 4.1 16.0 1.0
C4' A:847246 4.1 26.9 0.4
H1 A:HOH383 4.2 31.5 1.0
HC4' A:847246 4.2 28.1 0.4
C3' A:847246 4.3 28.7 0.5
C1' A:847246 4.3 25.0 0.5
O A:HIS57 4.3 14.8 1.0
HG3 A:GLN192 4.4 18.5 0.3
HA A:CYS58 4.4 11.2 1.0
HB2 A:SER195 4.7 14.4 1.0
HE22 A:GLN192 4.7 19.2 0.3
SG A:CYS42 4.7 13.8 1.0
C2' A:847246 4.8 27.5 0.5
H42A A:847246 4.9 31.6 0.2
CG A:HIS57 4.9 13.6 1.0
HN3 A:847246 4.9 21.3 0.5
HN3 A:847246 5.0 23.3 0.4

Bromine binding site 2 out of 2 in 1o2w

Go back to Bromine Binding Sites List in 1o2w
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:22.7
occ:0.41
 BR5' A:847246 0.0 22.7 0.4
C5' A:847246 1.1 26.8 0.5
BR5' A:847246 1.4 27.4 0.5
C4' A:847246 1.7 27.6 0.5
HC4' A:847246 1.8 28.4 0.5
C5' A:847246 1.9 25.4 0.4
C6' A:847246 2.4 24.9 0.5
C6' A:847246 2.8 24.6 0.4
C4' A:847246 2.9 26.9 0.4
O6' A:847246 2.9 23.1 0.4
HC4' A:847246 3.0 28.1 0.4
C3' A:847246 3.1 28.7 0.5
O6' A:847246 3.2 23.6 0.5
HD2 A:HIS57 3.2 14.5 1.0
H2 A:HOH383 3.2 30.9 1.0
C1' A:847246 3.5 25.0 0.5
H2 A:HOH322 3.6 47.0 1.0
O A:HOH322 3.7 47.7 1.0
C2' A:847246 3.7 27.5 0.5
H42A A:847246 3.8 31.6 0.2
HE2 A:HIS57 3.9 15.0 1.0
HE22 A:GLN192 4.0 19.2 0.3
HG3 A:GLN192 4.0 18.5 0.3
CD2 A:HIS57 4.0 14.9 1.0
O A:HOH383 4.0 32.3 1.0
C1' A:847246 4.1 26.2 0.4
C3' A:847246 4.2 29.2 0.4
NE2 A:HIS57 4.3 14.7 1.0
CVX A:847246 4.3 30.3 0.2
HG A:SER195 4.4 16.0 1.0
C6X A:847246 4.5 30.9 0.2
H1 A:HOH322 4.6 47.1 1.0
C2' A:847246 4.6 27.7 0.4
H1 A:HOH383 4.7 31.5 1.0
OYX A:847246 4.7 31.1 0.2
HN3 A:847246 4.7 23.3 0.4
H42A A:847246 4.8 33.3 0.2
HC2' A:847246 4.8 27.5 0.5
NE2 A:GLN192 4.8 19.0 0.3
C8 A:847246 4.8 22.8 0.5
HN3 A:847246 4.9 21.3 0.5
CWX A:847246 4.9 31.0 0.2
CG A:GLN192 5.0 18.2 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: Mon Jul 7 03:35:29 2025

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