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Chlorine 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:

Bromine (Br) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Leishmania Mexicana Glycerol-3-Phosphate Dehydrogenase with Inhibitor Bcp, PDB code: 1n1g:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 1n1g

Go back to Chlorine Binding Sites List in 1n1g
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl401

b:85.8
occ:1.00
 CL A:BCP401 0.0 85.8 1.0
C6 A:BCP401 1.8 85.4 1.0
N1 A:BCP401 2.6 87.2 1.0
C5 A:BCP401 2.9 84.7 1.0
CL A:BCP402 3.1 63.7 1.0
N7 A:BCP401 3.6 84.2 1.0
C6 A:BCP402 3.9 66.2 1.0
C2 A:BCP401 3.9 88.7 1.0
O A:HOH630 4.0 67.8 1.0
C4 A:BCP401 4.2 85.2 1.0
C5 A:BCP402 4.5 65.8 1.0
N3 A:BCP401 4.6 87.0 1.0
N1 A:BCP402 4.6 69.3 1.0
N7 A:BCP402 4.7 64.8 1.0
C8 A:BCP401 4.9 83.8 1.0

Chlorine binding site 2 out of 4 in 1n1g

Go back to Chlorine Binding Sites List in 1n1g
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl402

b:63.7
occ:1.00
 CL A:BCP402 0.0 63.7 1.0
C6 A:BCP402 1.8 66.2 1.0
N1 A:BCP402 2.7 69.3 1.0
C5 A:BCP402 2.9 65.8 1.0
CL A:BCP401 3.1 85.8 1.0
C6 A:BCP401 3.4 85.4 1.0
N7 A:BCP402 3.5 64.8 1.0
N1 A:BCP401 3.9 87.2 1.0
C2 A:BCP402 4.0 71.8 1.0
C5 A:BCP401 4.0 84.7 1.0
CE A:MET225 4.1 40.4 1.0
C4 A:BCP402 4.2 66.5 1.0
CD1 A:LEU339 4.3 42.3 1.0
N7 A:BCP401 4.4 84.2 1.0
CD1 A:LEU343 4.5 48.5 1.0
N3 A:BCP402 4.6 69.1 1.0
O A:HOH630 4.7 67.8 1.0
C2 A:BCP401 4.7 88.7 1.0
C8 A:BCP402 4.8 65.1 1.0
C4 A:BCP401 4.9 85.2 1.0
O A:HOH590 4.9 52.9 1.0

Chlorine binding site 3 out of 4 in 1n1g

Go back to Chlorine Binding Sites List in 1n1g
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl403

b:66.0
occ:0.50
 CL A:BCP403 0.0 66.0 0.5
N9 A:BCP403 1.7 67.1 0.5
C6 A:BCP403 1.8 66.8 0.5
C4 A:BCP403 2.3 67.4 0.5
N3 A:BCP403 2.5 68.4 0.5
N1 A:BCP403 2.7 67.8 0.5
C5 A:BCP403 2.9 66.8 0.5
C8 A:BCP403 3.0 66.7 0.5
N7 A:BCP403 3.5 66.8 0.5
C5 A:BCP403 3.6 67.2 0.5
C2 A:BCP403 3.8 69.9 0.5
N7 A:BCP403 4.0 67.2 0.5
C2 A:BCP403 4.0 69.5 0.5
CD2 A:PHE97 4.1 36.1 1.0
O A:HOH600 4.1 49.7 1.0
C4 A:BCP403 4.2 67.0 0.5
CE2 A:PHE97 4.3 37.1 1.0
SD A:MET46 4.5 64.5 1.0
N3 A:BCP403 4.6 68.2 0.5
CG A:PHE97 4.8 35.5 1.0
N1 A:BCP403 4.8 68.5 0.5
C6 A:BCP403 4.8 67.3 0.5
C8 A:BCP403 4.8 66.3 0.5
BR A:BCP403 5.0 76.9 0.5

Chlorine binding site 4 out of 4 in 1n1g

Go back to Chlorine Binding Sites List in 1n1g
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl403

b:66.7
occ:0.50
 CL A:BCP403 0.0 66.7 0.5
N9 A:BCP403 1.8 66.6 0.5
C6 A:BCP403 1.8 67.3 0.5
C4 A:BCP403 2.3 67.0 0.5
N3 A:BCP403 2.5 68.2 0.5
N1 A:BCP403 2.7 68.5 0.5
C5 A:BCP403 2.9 67.2 0.5
C8 A:BCP403 3.1 66.3 0.5
N7 A:BCP403 3.5 67.2 0.5
C5 A:BCP403 3.7 66.8 0.5
C2 A:BCP403 3.8 69.5 0.5
CE1 A:PHE97 3.8 37.5 1.0
CD1 A:PHE97 3.9 36.9 1.0
N7 A:BCP403 4.0 66.8 0.5
C2 A:BCP403 4.0 69.9 0.5
C4 A:BCP403 4.2 67.4 0.5
CD A:PRO94 4.4 32.9 1.0
CG A:PRO94 4.4 33.2 1.0
O A:HOH586 4.5 49.6 1.0
N3 A:BCP403 4.6 68.4 0.5
N1 A:BCP403 4.7 67.8 0.5
C8 A:BCP403 4.8 66.7 0.5
C6 A:BCP403 4.8 66.8 0.5
CZ A:PHE97 4.8 37.8 1.0
BR A:BCP403 4.9 76.6 0.5
CE A:MET46 4.9 63.8 1.0
CG A:PHE97 4.9 35.5 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: Sat Jul 20 00:16:14 2024

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