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Bromine in PDB 1o2u: 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: 1o2u 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 / 1.41
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 63.850, 61.880, 70.020, 90.00, 90.00, 90.00
R / Rfree (%) 19.6 / 20.7

Other elements in 1o2u:

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 1o2u). 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: 1o2u:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in 1o2u

Go back to Bromine Binding Sites List in 1o2u
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:38.7
occ:0.44
 BR5' A:847246 0.0 38.7 0.4
BR5' A:847246 1.8 41.8 0.5
C5' A:847246 1.8 36.6 0.5
C5' A:847246 1.9 36.0 0.4
HC4' A:847246 2.0 36.6 0.5
C4' A:847246 2.1 36.9 0.5
HE22 A:GLN192 2.3 24.9 0.6
HC4' A:847246 2.7 37.4 0.4
C4' A:847246 2.7 36.8 0.4
C6' A:847246 2.9 34.2 0.4
C6' A:847246 3.0 34.0 0.5
HG3 A:GLN192 3.1 21.6 0.6
O6' A:847246 3.2 33.5 0.4
NE2 A:GLN192 3.2 25.4 0.6
C3' A:847246 3.3 35.7 0.5
H2 A:HOH383 3.4 26.6 0.9
H42A A:847246 3.5 35.5 0.2
H2 A:HOH322 3.5 50.2 1.0
O6' A:847246 3.6 31.7 0.5
O A:HOH322 3.7 51.7 1.0
HE21 A:GLN192 3.8 25.0 0.6
CG A:GLN192 4.0 21.5 0.6
C1' A:847246 4.0 32.9 0.5
O A:HOH383 4.0 27.9 0.9
C3' A:847246 4.0 37.3 0.4
CD A:GLN192 4.0 23.5 0.6
C2' A:847246 4.1 34.8 0.5
C1' A:847246 4.2 31.6 0.4
HG2 A:GLN192 4.3 21.6 0.6
C6X A:847246 4.3 35.3 0.2
CVX A:847246 4.4 35.5 0.2
H42A A:847246 4.5 40.4 0.1
O9X A:847246 4.5 32.4 0.2
C2' A:847246 4.6 34.5 0.4
H1 A:HOH322 4.7 50.5 1.0
H1 A:HOH383 4.8 26.6 0.9
C7X A:847246 4.9 34.4 0.2
HD2 A:HIS57 5.0 19.9 1.0

Bromine binding site 2 out of 2 in 1o2u

Go back to Bromine Binding Sites List in 1o2u
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:41.8
occ:0.45
 BR5' A:847246 0.0 41.8 0.5
BR5' A:847246 1.8 38.7 0.4
C5' A:847246 1.9 36.6 0.5
C5' A:847246 2.7 36.0 0.4
C6' A:847246 2.8 34.0 0.5
O6' A:847246 2.8 31.7 0.5
O6' A:847246 2.9 33.5 0.4
C4' A:847246 2.9 36.9 0.5
HC4' A:847246 3.0 36.6 0.5
H2 A:HOH383 3.1 26.6 0.9
C6' A:847246 3.2 34.2 0.4
HD2 A:HIS57 3.2 19.9 1.0
H2 A:HOH322 3.6 50.2 1.0
C4' A:847246 3.7 36.8 0.4
O A:HOH383 3.8 27.9 0.9
O A:HOH322 3.9 51.7 1.0
HC4' A:847246 3.9 37.4 0.4
HE22 A:GLN192 3.9 24.9 0.6
CD2 A:HIS57 4.0 19.6 1.0
HG3 A:GLN192 4.0 21.6 0.6
HE2 A:HIS57 4.1 21.5 1.0
C1' A:847246 4.2 32.9 0.5
C3' A:847246 4.2 35.7 0.5
HG A:SER195 4.3 18.1 0.6
H1 A:HOH383 4.4 26.6 0.9
NE2 A:HIS57 4.4 21.8 1.0
HG A:SER195 4.5 14.7 0.4
C1' A:847246 4.5 31.6 0.4
HN3 A:847246 4.6 24.1 0.4
HN3 A:847246 4.7 27.9 0.5
C2' A:847246 4.7 34.8 0.5
H1 A:HOH322 4.7 50.5 1.0
H42A A:847246 4.8 35.5 0.2
NE2 A:GLN192 4.9 25.4 0.6
C3' A:847246 4.9 37.3 0.4

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 17:04:04 2024

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