Atomistry » Bromine » PDB 2qc6-2vo5 » 2v58
Atomistry »
  Bromine »
    PDB 2qc6-2vo5 »
      2v58 »

Bromine in PDB 2v58: Crystal Structure of Biotin Carboxylase From E.Coli in Complex with Potent Inhibitor 1

Enzymatic activity of Crystal Structure of Biotin Carboxylase From E.Coli in Complex with Potent Inhibitor 1

All present enzymatic activity of Crystal Structure of Biotin Carboxylase From E.Coli in Complex with Potent Inhibitor 1:
6.3.4.14;

Protein crystallography data

The structure of Crystal Structure of Biotin Carboxylase From E.Coli in Complex with Potent Inhibitor 1, PDB code: 2v58 was solved by I.Mochalkin, J.R.Miller, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 80.32 / 2.10
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 84.211, 106.609, 122.344, 90.00, 90.00, 90.00
R / Rfree (%) 19.3 / 21.9

Other elements in 2v58:

The structure of Crystal Structure of Biotin Carboxylase From E.Coli in Complex with Potent Inhibitor 1 also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of Biotin Carboxylase From E.Coli in Complex with Potent Inhibitor 1 (pdb code 2v58). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 4 binding sites of Bromine where determined in the Crystal Structure of Biotin Carboxylase From E.Coli in Complex with Potent Inhibitor 1, PDB code: 2v58:
Jump to Bromine binding site number: 1; 2; 3; 4;

Bromine binding site 1 out of 4 in 2v58

Go back to Bromine Binding Sites List in 2v58
Bromine binding site 1 out of 4 in the Crystal Structure of Biotin Carboxylase From E.Coli in Complex with Potent Inhibitor 1


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of Biotin Carboxylase From E.Coli in Complex with Potent Inhibitor 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1448

b:28.2
occ:1.00
 BR2 A:LZJ1448 0.0 28.2 1.0
C18 A:LZJ1448 1.9 28.1 1.0
C17 A:LZJ1448 2.8 28.3 1.0
C12 A:LZJ1448 2.9 26.7 1.0
C9 A:LZJ1448 3.2 26.3 1.0
N13 A:LZJ1448 3.4 25.6 1.0
C8 A:LZJ1448 3.4 25.9 1.0
CD2 A:HIS209 3.6 22.6 1.0
CG A:HIS209 3.6 22.1 1.0
CD2 A:LEU278 3.6 23.0 1.0
NE2 A:HIS209 3.9 23.3 1.0
ND1 A:HIS209 3.9 22.9 1.0
C10 A:LZJ1448 4.0 25.8 1.0
CB A:HIS209 4.0 21.4 1.0
CE1 A:HIS209 4.1 23.3 1.0
C16 A:LZJ1448 4.1 28.1 1.0
C14 A:LZJ1448 4.2 28.1 1.0
CD1 A:ILE287 4.2 21.7 1.0
O A:HOH2316 4.3 39.6 1.0
N7 A:LZJ1448 4.4 25.9 1.0
CG2 A:ILE437 4.4 22.4 1.0
CD1 A:ILE437 4.6 22.5 1.0
C15 A:LZJ1448 4.7 28.1 1.0
O A:HOH2200 4.7 34.7 1.0
O A:HOH2172 4.8 17.3 1.0
CA A:HIS209 4.8 21.4 1.0
C5 A:LZJ1448 4.9 25.7 1.0
CG A:LEU278 5.0 22.6 1.0

Bromine binding site 2 out of 4 in 2v58

Go back to Bromine Binding Sites List in 2v58
Bromine binding site 2 out of 4 in the Crystal Structure of Biotin Carboxylase From E.Coli in Complex with Potent Inhibitor 1


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of Biotin Carboxylase From E.Coli in Complex with Potent Inhibitor 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1448

b:30.3
occ:1.00
 BR1 A:LZJ1448 0.0 30.3 1.0
C14 A:LZJ1448 1.9 28.1 1.0
C15 A:LZJ1448 2.8 28.1 1.0
C12 A:LZJ1448 2.9 26.7 1.0
C9 A:LZJ1448 3.1 26.3 1.0
O A:HOH2157 3.3 38.6 1.0
C10 A:LZJ1448 3.4 25.8 1.0
CE1 A:HIS236 3.6 27.1 1.0
C8 A:LZJ1448 4.0 25.9 1.0
C16 A:LZJ1448 4.1 28.1 1.0
C18 A:LZJ1448 4.2 28.1 1.0
NE2 A:HIS236 4.4 27.1 1.0
OH A:TYR203 4.4 24.3 1.0
C5 A:LZJ1448 4.4 25.7 1.0
O A:HOH2156 4.4 22.1 1.0
N13 A:LZJ1448 4.5 25.6 1.0
CD1 A:ILE437 4.5 22.5 1.0
SD A:MET169 4.5 37.8 1.0
ND1 A:HIS236 4.6 26.9 1.0
C17 A:LZJ1448 4.7 28.3 1.0
CE1 A:TYR203 4.7 24.0 1.0
N7 A:LZJ1448 4.8 25.9 1.0
CE1 A:HIS438 4.9 23.1 1.0
C4 A:LZJ1448 5.0 26.1 1.0

Bromine binding site 3 out of 4 in 2v58

Go back to Bromine Binding Sites List in 2v58
Bromine binding site 3 out of 4 in the Crystal Structure of Biotin Carboxylase From E.Coli in Complex with Potent Inhibitor 1


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Crystal Structure of Biotin Carboxylase From E.Coli in Complex with Potent Inhibitor 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br1447

b:30.5
occ:1.00
 BR2 B:LZJ1447 0.0 30.5 1.0
C18 B:LZJ1447 1.9 28.9 1.0
C17 B:LZJ1447 2.8 28.9 1.0
C12 B:LZJ1447 2.9 28.6 1.0
C9 B:LZJ1447 3.1 28.5 1.0
C10 B:LZJ1447 3.4 28.4 1.0
CE1 B:HIS236 3.7 30.3 1.0
CE B:MET169 3.7 50.3 1.0
C8 B:LZJ1447 3.9 28.3 1.0
C16 B:LZJ1447 4.1 29.0 1.0
C14 B:LZJ1447 4.2 29.1 1.0
NE2 B:HIS236 4.3 30.5 1.0
N13 B:LZJ1447 4.4 28.2 1.0
C5 B:LZJ1447 4.4 28.3 1.0
O B:HOH2230 4.5 40.1 1.0
OH B:TYR203 4.5 29.4 1.0
ND1 B:HIS236 4.6 30.5 1.0
CD1 B:ILE437 4.6 25.6 1.0
C15 B:LZJ1447 4.7 29.2 1.0
CE1 B:TYR203 4.7 29.4 1.0
N7 B:LZJ1447 4.7 28.2 1.0
CE1 B:HIS438 4.8 28.6 1.0
C4 B:LZJ1447 4.9 28.3 1.0

Bromine binding site 4 out of 4 in 2v58

Go back to Bromine Binding Sites List in 2v58
Bromine binding site 4 out of 4 in the Crystal Structure of Biotin Carboxylase From E.Coli in Complex with Potent Inhibitor 1


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Crystal Structure of Biotin Carboxylase From E.Coli in Complex with Potent Inhibitor 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br1447

b:28.6
occ:1.00
 BR1 B:LZJ1447 0.0 28.6 1.0
C14 B:LZJ1447 1.9 29.1 1.0
C15 B:LZJ1447 2.8 29.2 1.0
C12 B:LZJ1447 2.9 28.6 1.0
C9 B:LZJ1447 3.2 28.5 1.0
C8 B:LZJ1447 3.5 28.3 1.0
N13 B:LZJ1447 3.5 28.2 1.0
CD2 B:HIS209 3.6 24.9 1.0
CG B:HIS209 3.6 24.5 1.0
CD2 B:LEU278 3.7 25.9 1.0
NE2 B:HIS209 3.9 25.3 1.0
C10 B:LZJ1447 4.0 28.4 1.0
ND1 B:HIS209 4.0 24.9 1.0
CD1 B:ILE287 4.1 25.7 1.0
CB B:HIS209 4.1 24.1 1.0
C16 B:LZJ1447 4.1 29.0 1.0
CE1 B:HIS209 4.1 25.2 1.0
C18 B:LZJ1447 4.2 28.9 1.0
O B:HOH2042 4.4 40.9 1.0
CG2 B:ILE437 4.4 26.3 1.0
N7 B:LZJ1447 4.4 28.2 1.0
CD1 B:ILE437 4.6 25.6 1.0
C17 B:LZJ1447 4.7 28.9 1.0
O B:HOH2110 4.8 20.2 1.0
C5 B:LZJ1447 4.8 28.3 1.0
CA B:HIS209 4.9 24.0 1.0

Reference:

J.R.Miller, S.Dunham, I.Mochalkin, C.Banotai, M.Bowman, S.Buist, B.Dunkle, D.Hanna, H.J.Harwood, M.D.Huband, A.Karnovsky, M.Kuhn, C.Limberakis, J.Y.Liu, S.Mehrens, W.T.Mueller, L.Narasimhan, A.Ogden, J.Ohren, J.V.Prasad, J.A.Shelly, L.Skerlos, M.Sulavik, V.H.Thomas, S.Vanderroest, L.Wang, Z.Wang, A.Whitton, T.Zhu, C.K.Stover. A Class of Selective Antibacterials Derived From A Protein Kinase Inhibitor Pharmacophore. Proc.Natl.Acad.Sci.Usa V. 106 1737 2009.
ISSN: ISSN 0027-8424
PubMed: 19164768
DOI: 10.1073/PNAS.0811275106
Page generated: Wed Jul 10 18:34:43 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy