Fluorine in PDB 4bpm: Crystal Structure of A Human Integral Membrane Enzyme

All present enzymatic activity of Crystal Structure of A Human Integral Membrane Enzyme:
5.3.99.3;

The structure of Crystal Structure of A Human Integral Membrane Enzyme, PDB code: 4bpm was solved by D.Li, M.Wang, V.Olieric, M.Caffrey, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.639 / 2.08
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	86.400, 86.400, 181.120, 90.00, 90.00, 120.00
R / Rfree (%)	19.99 / 21.82

The structure of Crystal Structure of A Human Integral Membrane Enzyme also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Fluorine atom in the Crystal Structure of A Human Integral Membrane Enzyme (pdb code 4bpm). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of A Human Integral Membrane Enzyme, PDB code: 4bpm:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Crystal Structure of A Human Integral Membrane Enzyme


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 A Human Integral Membrane Enzyme within 5.0Å range: probe atom residue distance (Å) B Occ A:F1173 b:78.7 occ:1.00 F A:LVJ1173 0.0 78.7 1.0 C14 A:LVJ1173 1.3 80.2 1.0 F1 A:LVJ1173 2.1 0.0 1.0 F2 A:LVJ1173 2.1 73.8 1.0 C13 A:LVJ1173 2.4 65.5 1.0 CD2 A:LEU132 3.2 53.2 1.0 N2 A:LVJ1173 3.7 66.0 1.0 O2 A:LVJ1173 4.3 57.5 1.0 CG2 A:THR131 4.3 44.0 1.0 CG A:LEU132 4.4 60.3 1.0 C12 A:LVJ1173 4.4 69.0 1.0 CB A:THR131 5.0 53.7 1.0

Fluorine binding site 2 out of 3 in the Crystal Structure of A Human Integral Membrane Enzyme


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of A Human Integral Membrane Enzyme within 5.0Å range: probe atom residue distance (Å) B Occ A:F1173 b:0.0 occ:1.00 F1 A:LVJ1173 0.0 0.0 1.0 C14 A:LVJ1173 1.3 80.2 1.0 F A:LVJ1173 2.1 78.7 1.0 F2 A:LVJ1173 2.1 73.8 1.0 C13 A:LVJ1173 2.4 65.5 1.0 O2 A:LVJ1173 2.7 57.5 1.0 N2 A:LVJ1173 2.9 66.0 1.0 C12 A:LVJ1173 3.0 69.0 1.0 CD2 A:LEU132 3.6 53.2 1.0 CG1 A:VAL128 3.6 39.7 1.0 O A:VAL128 3.8 44.5 1.0 CG A:LEU132 4.0 60.3 1.0 CG2 A:THR131 4.0 44.0 1.0 CB A:THR131 4.0 53.7 1.0 CA A:VAL128 4.1 47.5 1.0 CB A:VAL128 4.2 40.9 1.0 CG2 A:VAL128 4.3 48.4 1.0 C4 A:LVJ1173 4.3 64.3 1.0 C A:VAL128 4.3 53.6 1.0 N A:LEU132 4.7 42.1 1.0 CD1 A:LEU132 4.8 57.2 1.0 OG1 A:THR131 4.8 50.1 1.0 O A:LVJ1173 4.8 84.9 1.0

Fluorine binding site 3 out of 3 in the Crystal Structure of A Human Integral Membrane Enzyme


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of A Human Integral Membrane Enzyme within 5.0Å range: probe atom residue distance (Å) B Occ A:F1173 b:73.8 occ:1.00 F2 A:LVJ1173 0.0 73.8 1.0 C14 A:LVJ1173 1.3 80.2 1.0 F A:LVJ1173 2.1 78.7 1.0 F1 A:LVJ1173 2.1 0.0 1.0 C13 A:LVJ1173 2.4 65.5 1.0 N2 A:LVJ1173 3.0 66.0 1.0 C12 A:LVJ1173 3.8 69.0 1.0 O1 A:LVJ1173 3.9 82.8 1.0 O2 A:LVJ1173 4.2 57.5 1.0 C9 A:LVJ1173 4.2 69.6 1.0 O A:LVJ1173 4.3 84.9 1.0 CD2 A:LEU132 4.3 53.2 1.0 CG1 A:VAL128 4.4 39.7 1.0 C7 A:LVJ1173 4.7 98.0 1.0 CG2 A:VAL128 4.9 48.4 1.0 C4 A:LVJ1173 4.9 64.3 1.0

D.Li, N.Howe, A.Dukkipati, S.T.A.Shah, B.D.Bax, C.Edge, A.Bridges, P.Hardwicke, O.M.P.Singh, G.Giblin, A.Pautsch, R.Pfau, G.Schnapp, M.Wang, V.Olieric, M.Caffrey. Crystallizing Membrane Proteins in the Lipidic Mesophase. Experience with Human Prostaglandin E2 Synthase 1 and An Evolving Strategy. Cryst.Growth Des. V. 14 2034 2014.
ISSN: ISSN 1528-7483
PubMed: 24803849
DOI: 10.1021/CG500157X