Fluorine in PDB 4wab: Crystal Structure of MPGES1 Solved By Native-Sad Phasing

All present enzymatic activity of Crystal Structure of MPGES1 Solved By Native-Sad Phasing:
5.3.99.3;

The structure of Crystal Structure of MPGES1 Solved By Native-Sad Phasing, PDB code: 4wab was solved by T.Weinert, D.Li, N.Howe, M.Caffrey, M.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.36 / 2.70
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	86.720, 86.720, 180.360, 90.00, 90.00, 120.00
R / Rfree (%)	17.8 / 24.1

The structure of Crystal Structure of MPGES1 Solved By Native-Sad Phasing also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Fluorine atom in the Crystal Structure of MPGES1 Solved By Native-Sad Phasing (pdb code 4wab). 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 MPGES1 Solved By Native-Sad Phasing, PDB code: 4wab:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Crystal Structure of MPGES1 Solved By Native-Sad Phasing


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 MPGES1 Solved By Native-Sad Phasing within 5.0Å range: probe atom residue distance (Å) B Occ A:F202 b:82.6 occ:1.00 F A:LVJ202 0.0 82.6 1.0 C14 A:LVJ202 1.3 85.2 1.0 F1 A:LVJ202 2.1 94.5 1.0 F2 A:LVJ202 2.1 78.9 1.0 C13 A:LVJ202 2.4 76.4 1.0 CD2 A:LEU132 3.6 50.3 1.0 N2 A:LVJ202 3.6 74.2 1.0 CG2 A:THR131 4.3 34.9 1.0 O2 A:LVJ202 4.5 61.8 1.0 C12 A:LVJ202 4.5 66.5 1.0 CG A:LEU132 4.5 47.4 1.0

Fluorine binding site 2 out of 3 in the Crystal Structure of MPGES1 Solved By Native-Sad Phasing


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 MPGES1 Solved By Native-Sad Phasing within 5.0Å range: probe atom residue distance (Å) B Occ A:F202 b:94.5 occ:1.00 F1 A:LVJ202 0.0 94.5 1.0 C14 A:LVJ202 1.3 85.2 1.0 F A:LVJ202 2.1 82.6 1.0 F2 A:LVJ202 2.1 78.9 1.0 C13 A:LVJ202 2.4 76.4 1.0 N2 A:LVJ202 2.9 74.2 1.0 O2 A:LVJ202 3.0 61.8 1.0 C12 A:LVJ202 3.2 66.5 1.0 CD2 A:LEU132 3.6 50.3 1.0 CG2 A:THR131 3.6 34.9 1.0 CG1 A:VAL128 3.7 44.1 1.0 CG A:LEU132 3.7 47.4 1.0 O A:VAL128 3.8 58.6 1.0 CB A:THR131 3.8 37.0 1.0 CA A:VAL128 4.2 48.8 1.0 CB A:VAL128 4.4 49.3 1.0 N A:LEU132 4.4 50.4 1.0 C A:VAL128 4.4 53.2 1.0 CD1 A:LEU132 4.6 53.5 1.0 C4 A:LVJ202 4.6 71.0 1.0 CG2 A:VAL128 4.6 41.3 1.0 OG1 A:THR131 4.7 44.2 1.0 C A:THR131 4.8 49.4 1.0 CB A:LEU132 4.8 39.5 1.0 CA A:LEU132 4.8 47.1 1.0 CA A:THR131 4.9 37.0 1.0

Fluorine binding site 3 out of 3 in the Crystal Structure of MPGES1 Solved By Native-Sad Phasing


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 MPGES1 Solved By Native-Sad Phasing within 5.0Å range: probe atom residue distance (Å) B Occ A:F202 b:78.9 occ:1.00 F2 A:LVJ202 0.0 78.9 1.0 C14 A:LVJ202 1.3 85.2 1.0 F A:LVJ202 2.1 82.6 1.0 F1 A:LVJ202 2.1 94.5 1.0 C13 A:LVJ202 2.4 76.4 1.0 N2 A:LVJ202 2.8 74.2 1.0 C12 A:LVJ202 3.7 66.5 1.0 C9 A:LVJ202 3.9 88.1 1.0 O2 A:LVJ202 4.2 61.8 1.0 CG1 A:VAL128 4.2 44.1 1.0 O1 A:LVJ202 4.2 96.8 1.0 O A:LVJ202 4.3 90.8 1.0 CD2 A:LEU132 4.3 50.3 1.0 C7 A:LVJ202 4.6 95.3 1.0 CG2 A:VAL128 4.8 41.3 1.0 C4 A:LVJ202 4.8 71.0 1.0 CG A:LEU132 4.9 47.4 1.0

T.Weinert, V.Olieric, S.Waltersperger, E.Panepucci, L.Chen, H.Zhang, D.Zhou, J.Rose, A.Ebihara, S.Kuramitsu, D.Li, N.Howe, G.Schnapp, A.Pautsch, K.Bargsten, A.E.Prota, P.Surana, J.Kottur, D.T.Nair, F.Basilico, V.Cecatiello, S.Pasqualato, A.Boland, O.Weichenrieder, B.-C.Wang, M.O.Steinmetz, M.Caffrey, M.Wang. Fast Native-Sad Phasing For Routine Macromolecular Structure Determination Nat.Methods 2014.
ISSN: ESSN 1548-7105