Atomistry » Bromine » PDB 1m9t-1p1y » 1n1g
Atomistry »
  Bromine »
    PDB 1m9t-1p1y »
      1n1g »

Bromine in PDB 1n1g: Crystal Structure of Leishmania Mexicana Glycerol-3-Phosphate Dehydrogenase with Inhibitor Bcp

Enzymatic activity of Crystal Structure of Leishmania Mexicana Glycerol-3-Phosphate Dehydrogenase with Inhibitor Bcp

All present enzymatic activity of Crystal Structure of Leishmania Mexicana Glycerol-3-Phosphate Dehydrogenase with Inhibitor Bcp:
1.1.1.8;

Protein crystallography data

The structure of Crystal Structure of Leishmania Mexicana Glycerol-3-Phosphate Dehydrogenase with Inhibitor Bcp, PDB code: 1n1g was solved by J.Choe, W.G.Hol, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 18.52 / 2.50
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 70.421, 70.421, 210.908, 90.00, 90.00, 90.00
R / Rfree (%) 20.6 / 23.1

Other elements in 1n1g:

The structure of Crystal Structure of Leishmania Mexicana Glycerol-3-Phosphate Dehydrogenase with Inhibitor Bcp also contains other interesting chemical elements:

Chlorine (Cl) 4 atoms

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of Leishmania Mexicana Glycerol-3-Phosphate Dehydrogenase with Inhibitor Bcp (pdb code 1n1g). 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 Leishmania Mexicana Glycerol-3-Phosphate Dehydrogenase with Inhibitor Bcp, PDB code: 1n1g:
Jump to Bromine binding site number: 1; 2; 3; 4;

Bromine binding site 1 out of 4 in 1n1g

Go back to Bromine Binding Sites List in 1n1g
Bromine binding site 1 out of 4 in the Crystal Structure of Leishmania Mexicana Glycerol-3-Phosphate Dehydrogenase with Inhibitor Bcp


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 Leishmania Mexicana Glycerol-3-Phosphate Dehydrogenase with Inhibitor Bcp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br401

b:96.1
occ:1.00
 BR A:BCP401 0.0 96.1 1.0
C2 A:BCP401 1.9 88.7 1.0
N1 A:BCP401 2.7 87.2 1.0
N3 A:BCP401 2.8 87.0 1.0
N9 A:BCP402 3.4 65.8 1.0
C4 A:BCP402 3.5 66.5 1.0
C8 A:BCP402 3.7 65.1 1.0
C5 A:BCP402 3.9 65.8 1.0
C6 A:BCP401 4.0 85.4 1.0
N7 A:BCP402 4.0 64.8 1.0
N3 A:BCP402 4.0 69.1 1.0
C4 A:BCP401 4.1 85.2 1.0
NE A:ARG336 4.3 37.8 1.0
C5 A:BCP401 4.6 84.7 1.0
C6 A:BCP402 4.7 66.2 1.0
C2 A:BCP402 4.7 71.8 1.0
NH2 A:ARG336 4.8 36.6 1.0
CZ A:ARG336 4.9 38.1 1.0
CD A:ARG336 5.0 40.4 1.0
N1 A:BCP402 5.0 69.3 1.0

Bromine binding site 2 out of 4 in 1n1g

Go back to Bromine Binding Sites List in 1n1g
Bromine binding site 2 out of 4 in the Crystal Structure of Leishmania Mexicana Glycerol-3-Phosphate Dehydrogenase with Inhibitor Bcp


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 Leishmania Mexicana Glycerol-3-Phosphate Dehydrogenase with Inhibitor Bcp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br402

b:82.5
occ:1.00
 BR A:BCP402 0.0 82.5 1.0
C2 A:BCP402 1.9 71.8 1.0
N1 A:BCP402 2.8 69.3 1.0
N3 A:BCP402 2.8 69.1 1.0
O A:ARG336 3.3 44.6 1.0
CG A:ARG336 3.7 43.3 1.0
N9 A:BCP401 4.0 84.5 1.0
CB A:ALA340 4.0 45.4 1.0
C6 A:BCP402 4.1 66.2 1.0
C4 A:BCP402 4.1 66.5 1.0
C4 A:BCP401 4.1 85.2 1.0
C A:ARG336 4.1 45.1 1.0
CB A:ARG336 4.1 44.6 1.0
N A:ALA340 4.2 44.9 1.0
N3 A:BCP401 4.3 87.0 1.0
CA A:ARG336 4.3 45.0 1.0
CD1 A:LEU339 4.3 42.3 1.0
CB A:LEU339 4.4 43.8 1.0
CD A:ARG336 4.5 40.4 1.0
CA A:ALA340 4.5 45.5 1.0
C8 A:BCP401 4.6 83.8 1.0
C5 A:BCP402 4.6 65.8 1.0
C5 A:BCP401 4.8 84.7 1.0
C A:LEU339 4.9 44.5 1.0

Bromine binding site 3 out of 4 in 1n1g

Go back to Bromine Binding Sites List in 1n1g
Bromine binding site 3 out of 4 in the Crystal Structure of Leishmania Mexicana Glycerol-3-Phosphate Dehydrogenase with Inhibitor Bcp


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 Leishmania Mexicana Glycerol-3-Phosphate Dehydrogenase with Inhibitor Bcp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br403

b:76.6
occ:0.50
 BR A:BCP403 0.0 76.6 0.5
BR A:BCP403 0.9 76.9 0.5
C2 A:BCP403 1.9 69.5 0.5
C2 A:BCP403 1.9 69.9 0.5
N1 A:BCP403 2.4 68.5 0.5
N1 A:BCP403 2.8 67.8 0.5
N3 A:BCP403 2.8 68.2 0.5
N3 A:BCP403 3.1 68.4 0.5
CZ3 A:TRP44 3.7 43.9 1.0
CG2 A:ILE93 3.7 32.4 1.0
CH2 A:TRP44 3.7 44.2 1.0
C6 A:BCP403 3.7 67.3 0.5
CB A:PHE97 4.0 35.2 1.0
C4 A:BCP403 4.0 67.0 0.5
C6 A:BCP403 4.1 66.8 0.5
CG1 A:ILE93 4.2 32.5 1.0
C4 A:BCP403 4.2 67.4 0.5
O A:HOH600 4.3 49.7 1.0
CD1 A:ILE93 4.3 32.0 1.0
CD1 A:PHE101 4.4 33.7 1.0
C5 A:BCP403 4.5 67.2 0.5
CB A:PHE101 4.5 34.3 1.0
CB A:ILE93 4.6 32.3 1.0
C5 A:BCP403 4.6 66.8 0.5
O A:PHE97 4.6 35.1 1.0
CG A:PHE97 4.6 35.5 1.0
O A:HOH586 4.7 49.6 1.0
CG A:PHE101 4.8 32.9 1.0
CD1 A:PHE97 4.9 36.9 1.0
CL A:BCP403 4.9 66.7 0.5
CE3 A:TRP44 5.0 43.6 1.0

Bromine binding site 4 out of 4 in 1n1g

Go back to Bromine Binding Sites List in 1n1g
Bromine binding site 4 out of 4 in the Crystal Structure of Leishmania Mexicana Glycerol-3-Phosphate Dehydrogenase with Inhibitor Bcp


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 Leishmania Mexicana Glycerol-3-Phosphate Dehydrogenase with Inhibitor Bcp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br403

b:76.9
occ:0.50
 BR A:BCP403 0.0 76.9 0.5
BR A:BCP403 0.9 76.6 0.5
C2 A:BCP403 1.9 69.9 0.5
C2 A:BCP403 2.0 69.5 0.5
N1 A:BCP403 2.4 67.8 0.5
N1 A:BCP403 2.8 68.5 0.5
N3 A:BCP403 2.8 68.4 0.5
N3 A:BCP403 3.2 68.2 0.5
O A:HOH600 3.6 49.7 1.0
CH2 A:TRP44 3.7 44.2 1.0
C6 A:BCP403 3.8 66.8 0.5
CZ3 A:TRP44 4.0 43.9 1.0
CB A:PHE97 4.0 35.2 1.0
C4 A:BCP403 4.0 67.4 0.5
C6 A:BCP403 4.1 67.3 0.5
CD1 A:PHE101 4.1 33.7 1.0
CB A:PHE101 4.1 34.3 1.0
CG2 A:ILE93 4.2 32.4 1.0
C4 A:BCP403 4.3 67.0 0.5
O A:PHE97 4.3 35.1 1.0
O A:HOH780 4.5 53.7 1.0
CG A:PHE101 4.5 32.9 1.0
C5 A:BCP403 4.6 66.8 0.5
C5 A:BCP403 4.6 67.2 0.5
CD1 A:ILE93 4.7 32.0 1.0
CG A:PHE97 4.7 35.5 1.0
CG1 A:ILE93 4.8 32.5 1.0
CA A:PHE101 4.9 34.7 1.0
SD A:MET46 4.9 64.5 1.0
CZ2 A:TRP44 4.9 44.2 1.0
CL A:BCP403 5.0 66.0 0.5
C A:PHE97 5.0 35.1 1.0

Reference:

J.Choe, S.Suresh, G.Wisedchaisri, K.J.Kennedy, M.H.Gelb, W.G.Hol. Anomalous Differences of Light Elements in Determining Precise Binding Modes of Ligands to Glycerol-3-Phosphate Dehydrogenase. Chem.Biol. V. 9 1189 2002.
ISSN: ISSN 1074-5521
PubMed: 12445769
DOI: 10.1016/S1074-5521(02)00243-0
Page generated: Mon Jul 7 03:30:43 2025

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy