Chlorine 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:

Fluorine

(F)

3 atoms

The binding sites of Chlorine 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 Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of MPGES1 Solved By Native-Sad Phasing, PDB code: 4wab:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of MPGES1 Solved By Native-Sad Phasing


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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:Cl202 b:47.2 occ:1.00 CL A:LVJ202 0.0 47.2 1.0 C16 A:LVJ202 1.7 57.9 1.0 C17 A:LVJ202 2.7 57.6 1.0 C15 A:LVJ202 2.7 51.0 1.0 N3 A:LVJ202 3.0 59.9 1.0 CB A:ALA123 3.6 52.5 1.0 C1 A:LVJ202 3.9 60.9 1.0 C18 A:LVJ202 4.0 52.7 1.0 C20 A:LVJ202 4.0 48.9 1.0 CB A:PRO124 4.0 55.2 1.0 CA A:PRO124 4.2 55.7 1.0 C19 A:LVJ202 4.5 55.4 1.0 CB A:SER127 4.5 49.1 1.0 N1 A:LVJ202 4.6 62.9 1.0 CA A:ALA123 4.6 60.1 1.0 N A:LVJ202 4.7 55.7 1.0 OG A:SER127 4.8 55.6 1.0 N A:PRO124 4.9 56.4 1.0 C A:LVJ202 4.9 56.8 1.0

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


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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:Cl202 b:47.1 occ:1.00 CL1 A:LVJ202 0.0 47.1 1.0 C20 A:LVJ202 1.7 48.9 1.0 C19 A:LVJ202 2.7 55.4 1.0 C15 A:LVJ202 2.7 51.0 1.0 N3 A:LVJ202 3.0 59.9 1.0 C21 A:LVJ202 3.0 67.5 1.0 N1 A:LVJ202 3.1 62.9 1.0 C1 A:LVJ202 3.2 60.9 1.0 N4 A:LVJ202 3.3 72.1 1.0 C22 A:LVJ202 3.6 72.4 1.0 O3 A:LVJ202 3.6 72.9 1.0 C18 A:LVJ202 4.0 52.7 1.0 C16 A:LVJ202 4.0 57.9 1.0 C2 A:LVJ202 4.2 63.0 1.0 N A:LVJ202 4.2 55.7 1.0 OG A:SER127 4.4 55.6 1.0 C17 A:LVJ202 4.5 57.6 1.0 C25 A:LVJ202 4.6 75.6 1.0 C23 A:LVJ202 4.6 74.8 1.0 C11 A:LVJ202 4.8 60.0 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