Magnesium in PDB 3caw: Crystal Structure of O-Succinylbenzoate Synthase From Bdellovibrio Bacteriovorus Liganded with Mg

The structure of Crystal Structure of O-Succinylbenzoate Synthase From Bdellovibrio Bacteriovorus Liganded with Mg, PDB code: 3caw was solved by A.A.Fedorov, E.V.Fedorov, A.Sakai, S.K.Burley, J.A.Gerlt, S.C.Almo, Newyork Sgx Research Center For Structural Genomics (Nysgxrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.85 / 1.87
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	53.381, 78.610, 78.462, 90.00, 91.78, 90.00
R / Rfree (%)	21.8 / 24.4

The binding sites of Magnesium atom in the Crystal Structure of O-Succinylbenzoate Synthase From Bdellovibrio Bacteriovorus Liganded with Mg (pdb code 3caw). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of O-Succinylbenzoate Synthase From Bdellovibrio Bacteriovorus Liganded with Mg, PDB code: 3caw:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of O-Succinylbenzoate Synthase From Bdellovibrio Bacteriovorus Liganded with Mg


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of O-Succinylbenzoate Synthase From Bdellovibrio Bacteriovorus Liganded with Mg within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:28.8 occ:1.00 OD2 A:ASP206 2.3 21.1 1.0 OE1 A:GLU184 2.3 24.7 1.0 OD2 A:ASP155 2.3 26.1 1.0 O A:HOH519 2.3 31.3 1.0 O A:HOH518 2.4 26.7 1.0 O A:HOH517 2.5 30.7 1.0 CG A:ASP155 3.2 22.4 1.0 CD A:GLU184 3.3 22.4 1.0 CG A:ASP206 3.3 22.0 1.0 OD1 A:ASP155 3.4 23.9 1.0 OE2 A:GLU184 3.7 25.1 1.0 CB A:ASP206 3.7 17.2 1.0 NZ A:LYS128 4.2 28.0 1.0 ND2 A:ASN157 4.3 31.9 1.0 NZ A:LYS228 4.3 35.1 1.0 OD2 A:ASP185 4.4 20.2 1.0 OD1 A:ASP206 4.4 24.4 1.0 CB A:GLU184 4.5 16.5 1.0 CG A:GLU184 4.5 20.3 1.0 CB A:ASP155 4.5 20.6 1.0 CE A:LYS128 4.6 27.3 1.0 CE A:LYS228 4.8 33.4 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of O-Succinylbenzoate Synthase From Bdellovibrio Bacteriovorus Liganded with Mg


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of O-Succinylbenzoate Synthase From Bdellovibrio Bacteriovorus Liganded with Mg within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg401 b:29.3 occ:1.00 OD2 B:ASP155 2.3 28.4 1.0 OD2 B:ASP206 2.4 25.2 1.0 OE1 B:GLU184 2.4 32.2 1.0 O B:HOH524 2.4 27.7 1.0 O B:HOH523 2.4 30.6 1.0 O B:HOH525 2.5 30.2 1.0 CG B:ASP155 3.1 25.8 1.0 CG B:ASP206 3.3 24.2 1.0 OD1 B:ASP155 3.4 28.0 1.0 CD B:GLU184 3.4 30.1 1.0 CB B:ASP206 3.8 20.1 1.0 OE2 B:GLU184 4.1 32.3 1.0 OD1 B:ASN157 4.2 33.5 1.0 NZ B:LYS128 4.2 33.1 1.0 CB B:ASP155 4.3 20.7 1.0 O B:HOH510 4.4 37.1 1.0 OD1 B:ASP206 4.4 26.3 1.0 CB B:GLU184 4.4 22.6 1.0 OD2 B:ASP185 4.4 26.2 1.0 CG B:GLU184 4.5 28.4 1.0 CE B:LYS128 4.8 33.0 1.0 CG B:ASN157 5.0 31.4 1.0

D.Odokonyero, A.Sakai, Y.Patskovsky, V.N.Malashkevich, A.A.Fedorov, J.B.Bonanno, E.V.Fedorov, R.Toro, R.Agarwal, C.Wang, N.D.Ozerova, W.S.Yew, J.M.Sauder, S.Swaminathan, S.K.Burley, S.C.Almo, M.E.Glasner. Loss of Quaternary Structure Is Associated with Rapid Sequence Divergence in the Osbs Family. Proc.Natl.Acad.Sci.Usa V. 111 8535 2014.
ISSN: ISSN 0027-8424
PubMed: 24872444
DOI: 10.1073/PNAS.1318703111