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Fluorine in PDB 7g1p: Crystal Structure of Human FABP4 Binding Site Mutated to That of FABP5 in Complex with 6-Chloro-5-Fluoro-1H-Benzimidazole

Protein crystallography data

The structure of Crystal Structure of Human FABP4 Binding Site Mutated to That of FABP5 in Complex with 6-Chloro-5-Fluoro-1H-Benzimidazole, PDB code: 7g1p was solved by A.Ehler, J.Benz, U.Obst, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.72 / 1.28
Space group P 2 21 21
Cell size a, b, c (Å), α, β, γ (°) 32.158, 52.964, 72.24, 90, 90, 90
R / Rfree (%) 17.6 / 24.2

Other elements in 7g1p:

The structure of Crystal Structure of Human FABP4 Binding Site Mutated to That of FABP5 in Complex with 6-Chloro-5-Fluoro-1H-Benzimidazole also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Human FABP4 Binding Site Mutated to That of FABP5 in Complex with 6-Chloro-5-Fluoro-1H-Benzimidazole (pdb code 7g1p). 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 Human FABP4 Binding Site Mutated to That of FABP5 in Complex with 6-Chloro-5-Fluoro-1H-Benzimidazole, PDB code: 7g1p:

Fluorine binding site 1 out of 1 in 7g1p

Go back to Fluorine Binding Sites List in 7g1p
Fluorine binding site 1 out of 1 in the Crystal Structure of Human FABP4 Binding Site Mutated to That of FABP5 in Complex with 6-Chloro-5-Fluoro-1H-Benzimidazole


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 Human FABP4 Binding Site Mutated to That of FABP5 in Complex with 6-Chloro-5-Fluoro-1H-Benzimidazole within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F201

b:28.4
occ:1.00
F10 A:WPK201 0.0 28.4 1.0
C7 A:WPK201 1.3 21.4 1.0
C3 A:WPK201 2.3 20.1 1.0
C9 A:WPK201 2.4 19.8 1.0
CL11 A:WPK201 3.0 30.6 1.0
C5 A:MYR202 3.4 26.9 1.0
O A:HOH327 3.6 30.7 1.0
C1 A:WPK201 3.6 21.1 1.0
CZ A:PHE16 3.6 14.4 1.0
C5 A:WPK201 3.7 20.6 1.0
C9 A:MYR202 3.8 36.5 1.0
C2 A:WPK201 4.1 19.8 1.0
C6 A:MYR202 4.2 28.4 1.0
C7 A:MYR202 4.2 27.8 1.0
C4 A:MYR202 4.2 23.8 1.0
C3 A:MYR202 4.2 26.2 1.0
O A:HOH434 4.2 28.5 1.0
NH2 A:ARG126 4.2 18.5 1.0
CE2 A:PHE16 4.4 14.2 1.0
C11 A:MYR202 4.4 34.6 1.0
CE1 A:PHE16 4.5 13.9 1.0
C10 A:MYR202 4.5 33.2 1.0
C8 A:MYR202 4.6 28.8 1.0
C2 A:MYR202 4.6 25.7 1.0
O A:HOH342 4.6 35.5 1.0
N4 A:WPK201 4.8 21.2 1.0
CB A:ALA75 4.8 16.1 1.0
CZ A:ARG126 4.9 13.7 1.0
C12 A:MYR202 5.0 34.5 1.0
C1 A:MYR202 5.0 24.8 1.0

Reference:

U.Obst, C.Magnone, B.Kuhn, M.G.Rudolph. Crystal Structure of A Human FABP4 Binding Site Mutated to That of FABP5 Complex To Be Published.
Page generated: Fri Aug 2 07:26:57 2024

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