Magnesium in PDB 4yai: Crystal Structure of Ligl in Complex with Nadh and Gge From Sphingobium Sp. Strain Syk-6

The structure of Crystal Structure of Ligl in Complex with Nadh and Gge From Sphingobium Sp. Strain Syk-6, PDB code: 4yai was solved by J.H.Pereira, R.P.Mcandrew, R.A.Heins, K.L.Sale, B.A.Simmons, P.D.Adams, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.60
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	125.719, 72.714, 58.874, 90.00, 105.17, 90.00
R / Rfree (%)	14 / 16.1

The binding sites of Magnesium atom in the Crystal Structure of Ligl in Complex with Nadh and Gge From Sphingobium Sp. Strain Syk-6 (pdb code 4yai). 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 Ligl in Complex with Nadh and Gge From Sphingobium Sp. Strain Syk-6, PDB code: 4yai:

Magnesium binding site 1 out of 1 in the Crystal Structure of Ligl in Complex with Nadh and Gge From Sphingobium Sp. Strain Syk-6


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 Ligl in Complex with Nadh and Gge From Sphingobium Sp. Strain Syk-6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg501 b:28.7 occ:1.00 O A:HOH674 2.1 32.1 1.0 O A:HOH603 2.2 25.6 1.0 O A:HOH620 2.2 20.8 1.0 O A:HOH777 2.2 26.7 1.0 OE1 A:GLU77 3.8 54.8 1.0 O A:HOH748 4.0 25.6 1.0 HG23 A:ILE61 4.0 24.5 1.0 O A:HOH732 4.3 22.3 1.0 OE2 A:GLU77 4.4 33.9 1.0 O A:ARG62 4.4 22.0 1.0 OE1 A:GLU73 4.4 35.7 1.0 O A:HOH663 4.4 45.2 1.0 CD A:GLU77 4.5 41.4 1.0 HE21 A:GLN70 4.6 58.7 1.0 CG2 A:ILE61 4.8 20.4 1.0 HG22 A:ILE61 4.8 24.5 1.0 HG21 A:ILE61 5.0 24.5 1.0

J.H.Pereira, R.A.Heins, D.L.Gall, R.P.Mcandrew, K.Deng, K.C.Holland, T.J.Donohue, D.R.Noguera, B.A.Simmons, K.L.Sale, J.Ralph, P.D.Adams. Structural and Biochemical Characterization of the Early and Late Enzymes in the Lignin Beta-Aryl Ether Cleavage Pathway From Sphingobium Sp. Syk-6. J.Biol.Chem. V. 291 10228 2016.
ISSN: ESSN 1083-351X
PubMed: 26940872
DOI: 10.1074/JBC.M115.700427