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Fluorine in PDB 1jdj: Crystal Structure of Leishmania Mexicana Glycerol-3-Phosphate Dehydrogenase in Complex with 2-Fluoro-6-Chloropurine

Enzymatic activity of Crystal Structure of Leishmania Mexicana Glycerol-3-Phosphate Dehydrogenase in Complex with 2-Fluoro-6-Chloropurine

All present enzymatic activity of Crystal Structure of Leishmania Mexicana Glycerol-3-Phosphate Dehydrogenase in Complex with 2-Fluoro-6-Chloropurine:
1.1.1.8;

Protein crystallography data

The structure of Crystal Structure of Leishmania Mexicana Glycerol-3-Phosphate Dehydrogenase in Complex with 2-Fluoro-6-Chloropurine, PDB code: 1jdj was solved by S.Suresh, G.Wisedchaisri, K.J.Kennedy, C.L.M.J.Verlinde, M.H.Gelb, W.G.J.Hol, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.20
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 70.300, 70.300, 210.900, 90.00, 90.00, 90.00
R / Rfree (%) 20.8 / 24.2

Other elements in 1jdj:

The structure of Crystal Structure of Leishmania Mexicana Glycerol-3-Phosphate Dehydrogenase in Complex with 2-Fluoro-6-Chloropurine also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Leishmania Mexicana Glycerol-3-Phosphate Dehydrogenase in Complex with 2-Fluoro-6-Chloropurine (pdb code 1jdj). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Crystal Structure of Leishmania Mexicana Glycerol-3-Phosphate Dehydrogenase in Complex with 2-Fluoro-6-Chloropurine, PDB code: 1jdj:

Fluorine binding site 1 out of 1 in 1jdj

Go back to Fluorine Binding Sites List in 1jdj
Fluorine binding site 1 out of 1 in the Crystal Structure of Leishmania Mexicana Glycerol-3-Phosphate Dehydrogenase in Complex with 2-Fluoro-6-Chloropurine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Leishmania Mexicana Glycerol-3-Phosphate Dehydrogenase in Complex with 2-Fluoro-6-Chloropurine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F367

b:61.3
occ:1.00
 F2 A:CFP367 0.0 61.3 1.0
C2 A:CFP367 1.0 54.7 1.0
N3 A:CFP367 2.0 50.7 1.0
N1 A:CFP367 2.0 36.2 1.0
C4 A:CFP367 3.2 45.9 1.0
C6 A:CFP367 3.3 46.1 1.0
CD1 A:PHE97 3.7 35.5 1.0
C5 A:CFP367 3.8 27.9 1.0
CE1 A:PHE97 3.8 30.0 1.0
O A:HOH568 4.0 41.3 1.0
CD A:PRO94 4.3 17.1 1.0
CL6 A:CFP367 4.4 50.0 1.0
N9 A:CFP367 4.5 51.0 1.0
CG A:PHE97 4.5 24.2 1.0
SD A:MET46 4.5 88.4 1.0
CG A:PRO94 4.6 20.6 1.0
CZ A:PHE97 4.7 43.8 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 31 11:40:59 2024

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