Fluorine in PDB 1phq: Crystal Structure of KDO8P Synthase in Its Binary Complex with Substrate Analog E-Fpep

All present enzymatic activity of Crystal Structure of KDO8P Synthase in Its Binary Complex with Substrate Analog E-Fpep:
2.5.1.55;

The structure of Crystal Structure of KDO8P Synthase in Its Binary Complex with Substrate Analog E-Fpep, PDB code: 1phq was solved by R.Vainer, N.Adir, T.Baasov, V.Belakhov, E.Rabkin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.70
Space group	I 2 3
Cell size a, b, c (Å), α, β, γ (°)	117.783, 117.783, 117.783, 90.00, 90.00, 90.00
R / Rfree (%)	23.5 / 32.2

The binding sites of Fluorine atom in the Crystal Structure of KDO8P Synthase in Its Binary Complex with Substrate Analog E-Fpep (pdb code 1phq). 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 KDO8P Synthase in Its Binary Complex with Substrate Analog E-Fpep, PDB code: 1phq:

Fluorine binding site 1 out of 1 in the Crystal Structure of KDO8P Synthase in Its Binary Complex with Substrate Analog E-Fpep


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 KDO8P Synthase in Its Binary Complex with Substrate Analog E-Fpep within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:17.6 occ:1.00 F1 A:FPE301 0.0 17.6 1.0 C3 A:FPE301 1.4 17.6 1.0 C2 A:FPE301 2.3 17.6 1.0 O1 A:FPE301 2.4 17.6 1.0 CZ A:ARG168 2.4 63.4 1.0 NE A:ARG168 2.5 60.9 1.0 C1 A:FPE301 2.7 17.6 1.0 NH2 A:ARG168 2.8 62.2 1.0 CG A:ARG168 3.0 44.4 1.0 NH1 A:ARG168 3.0 65.5 1.0 CB A:ARG168 3.2 38.6 1.0 CD A:ARG168 3.2 53.0 1.0 CG A:HIS202 3.5 87.0 1.0 O5 A:FPE301 3.6 17.6 1.0 CD2 A:HIS202 3.7 96.0 1.0 CB A:HIS202 3.7 72.3 1.0 ND1 A:HIS202 3.9 96.0 1.0 O2' A:FPE301 4.0 17.6 1.0 NE2 A:HIS202 4.2 99.7 1.0 O A:HIS202 4.3 34.0 1.0 CE1 A:HIS202 4.4 99.6 1.0 OD2 A:ASP199 4.5 19.2 1.0 CA A:ARG168 4.7 34.0 1.0 O A:ARG168 4.7 35.5 1.0 C A:HIS202 4.8 38.4 1.0 CA A:HIS202 4.8 39.8 1.0 P1 A:FPE301 4.8 17.6 1.0 O3 A:FPE301 5.0 17.6 1.0

R.Vainer, N.Adir, T.Baasov, V.Belakhov, E.Rabkin. Crystallographic Analysis of the Phosphoenol Pyruvate Binding Site in E. Coli KDO8P Synthase To Be Published.