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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: Wed Jul 10 17:00:02 2024

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