Magnesium in PDB 4ip4: Crystal Structure of L-Fuconate Dehydratase From Silicibacter Sp. TM1040 Liganded with Mg

The structure of Crystal Structure of L-Fuconate Dehydratase From Silicibacter Sp. TM1040 Liganded with Mg, PDB code: 4ip4 was solved by A.A.Fedorov, E.V.Fedorov, T.Lukk, J.A.Gerlt, S.C.Almo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.59 / 2.13
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	101.051, 141.332, 59.778, 90.00, 90.00, 90.00
R / Rfree (%)	14 / 18.3

The binding sites of Magnesium atom in the Crystal Structure of L-Fuconate Dehydratase From Silicibacter Sp. TM1040 Liganded with Mg (pdb code 4ip4). 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 L-Fuconate Dehydratase From Silicibacter Sp. TM1040 Liganded with Mg, PDB code: 4ip4:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of L-Fuconate Dehydratase From Silicibacter Sp. TM1040 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 L-Fuconate Dehydratase From Silicibacter Sp. TM1040 Liganded with Mg within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg503 b:15.3 occ:1.00 OE2 A:GLU272 2.0 14.8 1.0 O A:HOH843 2.0 10.7 1.0 OD2 A:ASP246 2.0 16.3 1.0 O A:HOH842 2.1 13.4 1.0 OE1 A:GLU299 2.1 15.2 1.0 O A:HOH781 2.2 11.8 1.0 CD A:GLU272 3.0 19.6 1.0 CG A:ASP246 3.1 20.2 1.0 CD A:GLU299 3.1 15.8 1.0 OE2 A:GLU299 3.4 16.1 1.0 OD1 A:ASP246 3.4 15.3 1.0 NZ A:LYS218 3.7 13.6 1.0 CG A:GLU272 3.8 15.2 1.0 OE1 A:GLU272 3.9 16.8 1.0 NZ A:LYS216 3.9 16.1 1.0 O A:HOH743 4.0 19.6 1.0 O A:HOH632 4.1 18.4 1.0 O A:HOH633 4.2 13.8 1.0 O3 A:GOL501 4.3 19.4 1.0 OE1 A:GLU273 4.3 12.7 1.0 CD2 A:HIS349 4.3 16.4 1.0 ND2 A:ASN248 4.3 15.8 1.0 CG A:GLU299 4.4 14.4 1.0 CB A:ASP246 4.4 15.2 1.0 OD1 A:ASN248 4.6 13.6 1.0 NE2 A:HIS349 4.7 18.8 1.0 CG A:ASN248 4.7 15.9 1.0 CE A:LYS216 4.7 14.8 1.0 CG A:GLU273 5.0 12.0 1.0 CB A:GLU299 5.0 15.8 1.0 CB A:GLU272 5.0 13.7 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of L-Fuconate Dehydratase From Silicibacter Sp. TM1040 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 L-Fuconate Dehydratase From Silicibacter Sp. TM1040 Liganded with Mg within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg502 b:16.9 occ:1.00 OE2 B:GLU272 1.9 17.2 1.0 O B:HOH845 2.1 12.8 1.0 OE1 B:GLU299 2.1 14.1 1.0 O B:HOH844 2.1 12.7 1.0 OD2 B:ASP246 2.1 13.2 1.0 O B:HOH787 2.2 13.6 1.0 CD B:GLU299 3.0 18.6 1.0 CD B:GLU272 3.0 21.4 1.0 CG B:ASP246 3.1 15.1 1.0 OE2 B:GLU299 3.3 15.0 1.0 OD1 B:ASP246 3.4 14.4 1.0 NZ B:LYS218 3.8 13.0 1.0 CG B:GLU272 3.8 12.4 1.0 OE1 B:GLU272 3.9 19.1 1.0 O B:HOH682 4.0 20.2 1.0 O B:HOH733 4.0 20.5 1.0 NZ B:LYS216 4.0 19.7 1.0 O B:HOH642 4.1 16.2 1.0 OE1 B:GLU273 4.3 13.4 1.0 ND2 B:ASN248 4.3 15.0 1.0 CG B:GLU299 4.3 11.7 1.0 CD2 B:HIS349 4.3 13.1 1.0 O3 B:GOL501 4.4 20.6 1.0 CB B:ASP246 4.5 15.6 1.0 OD1 B:ASN248 4.7 17.4 1.0 NE2 B:HIS349 4.8 17.9 1.0 CE B:LYS216 4.8 16.9 1.0 CG B:ASN248 4.8 20.7 1.0 CB B:GLU299 4.9 9.9 1.0 CB B:GLU272 4.9 11.5 1.0 CG B:GLU273 4.9 17.4 1.0

A.A.Fedorov, E.V.Fedorov, T.Lukk, J.A.Gerlt, S.C.Almo. Crystal Structure of L-Fuconate Dehydratase From Silicibacter Sp. TM1040 Liganded with Mg To Be Published.