Fluorine in PDB 3hq2: Bsucp Crystal Structure

The structure of Bsucp Crystal Structure, PDB code: 3hq2 was solved by M.M.Lee, C.E.Isaza, J.D.White, R.P.-Y.Chen, G.F.-C.Liang, H.T.-F.He, S.I.Chan, M.K.Chan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.37 / 2.90
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	88.957, 149.002, 217.840, 90.00, 90.00, 90.00
R / Rfree (%)	18.8 / 25.1

The structure of Bsucp Crystal Structure also contains other interesting chemical elements:

Chlorine	(Cl)	7 atoms
Zinc	(Zn)	7 atoms

The binding sites of Fluorine atom in the Bsucp Crystal Structure (pdb code 3hq2). 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 Bsucp Crystal Structure, PDB code: 3hq2:

Fluorine binding site 1 out of 1 in the Bsucp Crystal Structure


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Bsucp Crystal Structure within 5.0Å range: probe atom residue distance (Å) B Occ B:F509 b:13.8 occ:1.00 O A:HOH554 2.5 16.3 1.0 O A:HOH610 2.7 7.6 1.0 NH2 B:ARG228 2.9 11.4 1.0 O A:HOH517 3.2 13.4 1.0 O A:THR33 3.6 21.2 1.0 CH2 B:TRP29 3.8 10.4 1.0 CH2 A:TRP29 3.8 4.0 1.0 CZ B:ARG228 3.8 13.3 1.0 NH1 B:ARG228 3.8 8.4 1.0 O B:HOH533 4.1 1.0 1.0 NH2 A:ARG228 4.1 13.3 1.0 OG1 A:THR33 4.2 18.5 1.0 CZ3 A:TRP29 4.3 5.2 1.0 CB A:THR33 4.4 18.3 1.0 CZ3 B:TRP29 4.4 9.7 1.0 CZ2 A:TRP29 4.6 6.3 1.0 C A:THR33 4.6 19.7 1.0 OD2 B:ASP230 4.6 18.6 1.0 OD2 A:ASP230 4.6 13.5 1.0 CZ2 B:TRP29 4.8 11.0 1.0 O B:HOH571 4.8 19.4 1.0

M.M.Lee, C.E.Isaza, J.D.White, R.P.Chen, G.F.Liang, H.T.He, S.I.Chan, M.K.Chan. Insight Into the Substrate Length Restriction of M32 Carboxypeptidases: Characterization of Two Distinct Subfamilies. Proteins V. 77 647 2009.
ISSN: ISSN 0887-3585
PubMed: 19544567
DOI: 10.1002/PROT.22478