Magnesium in PDB 5tnv: Crystal Structure of A Xylose Isomerase-Like Tim Barrel Protein From Mycobacterium Smegmatis in Complex with Magnesium

The structure of Crystal Structure of A Xylose Isomerase-Like Tim Barrel Protein From Mycobacterium Smegmatis in Complex with Magnesium, PDB code: 5tnv was solved by W.J.Cook, A.A.Fedorov, E.V.Fedorov, H.Huang, J.B.Bonanno, 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)	29.41 / 1.04
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	82.869, 82.869, 125.218, 90.00, 90.00, 120.00
R / Rfree (%)	11.6 / 13.7

The binding sites of Magnesium atom in the Crystal Structure of A Xylose Isomerase-Like Tim Barrel Protein From Mycobacterium Smegmatis in Complex with Magnesium (pdb code 5tnv). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of A Xylose Isomerase-Like Tim Barrel Protein From Mycobacterium Smegmatis in Complex with Magnesium, PDB code: 5tnv:

Magnesium binding site 1 out of 1 in the Crystal Structure of A Xylose Isomerase-Like Tim Barrel Protein From Mycobacterium Smegmatis in Complex with Magnesium


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 A Xylose Isomerase-Like Tim Barrel Protein From Mycobacterium Smegmatis in Complex with Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:8.0 occ:0.40 O A:HOH501 1.7 6.8 0.6 OE2 A:GLU173 2.0 5.8 1.0 OD2 A:ASP203 2.0 4.7 1.0 OE2 A:GLU280 2.0 6.7 0.5 ND1 A:HIS232 2.2 4.4 1.0 CD A:GLU173 2.9 5.1 1.0 CD A:GLU280 3.0 7.9 0.5 CE1 A:HIS232 3.1 5.2 1.0 CG A:ASP203 3.2 4.0 1.0 HE1 A:HIS232 3.2 6.2 1.0 CG A:HIS232 3.3 3.9 1.0 HD21 A:ASN206 3.3 4.9 1.0 HB3 A:HIS232 3.3 4.5 1.0 HZ2 A:LYS234 3.5 6.7 1.0 OE1 A:GLU280 3.6 17.4 0.5 HB2 A:HIS232 3.6 4.5 1.0 HZ1 A:LYS234 3.6 6.7 1.0 CB A:HIS232 3.6 3.7 1.0 OE1 A:GLU173 3.7 5.7 1.0 HG3 A:GLU173 3.7 6.2 1.0 O A:HOH559 3.7 7.8 1.0 NZ A:LYS234 3.8 4.4 1.0 HZ3 A:LYS234 3.8 6.7 1.0 CG A:GLU173 3.9 5.2 1.0 HB2 A:ASP203 3.9 4.9 1.0 CB A:ASP203 4.0 4.1 1.0 OE1 A:GLU280 4.1 12.9 0.5 OD1 A:ASP203 4.1 4.5 1.0 ND2 A:ASN206 4.1 4.1 1.0 HG2 A:GLU173 4.1 6.2 1.0 HB3 A:ASP203 4.1 4.9 1.0 CG A:GLU280 4.3 8.5 0.5 NE2 A:HIS232 4.3 4.5 1.0 HD21 A:ASN201 4.3 5.9 1.0 CD2 A:HIS232 4.4 4.1 1.0 O A:HOH647 4.5 6.8 1.0 OD1 A:ASN206 4.5 4.5 1.0 CD A:GLU280 4.6 9.8 0.5 CG A:GLU280 4.6 12.5 0.5 HD22 A:ASN206 4.6 4.9 1.0 O A:HOH518 4.7 10.7 1.0 CG A:ASN206 4.8 3.6 1.0 CB A:GLU280 4.9 12.2 0.5 O A:HOH567 4.9 13.5 1.0 O A:HOH771 5.0 21.2 1.0 ND2 A:ASN201 5.0 4.9 1.0

W.J.Cook, A.A.Fedorov, E.V.Fedorov, H.Huang, J.B.Bonanno, J.A.Gerlt, S.C.Almo. Crystal Structure of A Xylose Isomerase-Like Tim Barrel Protein From Mycobacterium Smegmatis in Complex with Magnesium To Be Published.