Magnesium in PDB 5f5n: The Structure of Monooxygenase KSTA11 in Complex with Nad and Its Substrate

The structure of The Structure of Monooxygenase KSTA11 in Complex with Nad and Its Substrate, PDB code: 5f5n was solved by L.Pan, Y.Gong, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.11 / 1.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.476, 66.025, 176.319, 90.00, 90.00, 90.00
R / Rfree (%)	14.4 / 16.6

The binding sites of Magnesium atom in the The Structure of Monooxygenase KSTA11 in Complex with Nad and Its Substrate (pdb code 5f5n). 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 The Structure of Monooxygenase KSTA11 in Complex with Nad and Its Substrate, PDB code: 5f5n:

Magnesium binding site 1 out of 1 in the The Structure of Monooxygenase KSTA11 in Complex with Nad and Its Substrate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The Structure of Monooxygenase KSTA11 in Complex with Nad and Its Substrate within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg310 b:27.4 occ:1.00 O B:HOH612 2.3 15.8 1.0 O B:VAL32 3.0 13.7 1.0 OG B:SER53 3.0 19.2 0.7 CB B:SER53 3.5 17.8 0.3 C2 B:EPE309 3.5 37.5 1.0 CB B:SER53 3.6 16.3 0.7 N B:VAL32 3.6 12.4 1.0 C9 B:EPE309 3.6 45.9 1.0 C B:VAL32 3.6 12.6 1.0 N B:SER53 3.8 14.2 1.0 N1 B:EPE309 3.9 39.9 1.0 CB B:PRO31 3.9 13.0 1.0 C10 B:EPE309 4.1 52.9 1.0 O2S B:EPE309 4.1 58.6 1.0 C B:PRO31 4.2 12.3 1.0 CA B:VAL32 4.2 12.8 1.0 CA B:SER53 4.3 15.8 0.3 CA B:PRO31 4.3 13.0 1.0 CA B:SER53 4.3 15.0 0.7 O B:GLY51 4.3 18.0 1.0 N B:ARG33 4.4 12.5 1.0 C3 B:EPE309 4.5 37.7 1.0 OG B:SER53 4.6 19.8 0.3 C B:VAL52 4.7 15.5 1.0 CG2 B:THR7 4.8 14.7 1.0 CA B:ARG33 4.8 12.2 1.0 S B:EPE309 4.8 59.5 1.0 O B:HOH460 4.9 16.2 1.0 CA B:VAL52 4.9 15.2 1.0 OG1 B:THR7 5.0 14.7 1.0

Z.Zhang, Y.-K.Gong, Q.Zhou, Y.Hu, H.-M.Ma, Y.-S.Chen, Y.Igarashi, L.Pan, G.-L.Tang. Hydroxyl Regioisomerization of Anthracycline Catalyzed By A Four-Enzyme Cascade Proc. Natl. Acad. Sci. V. 114 1554 2017U.S.A..
ISSN: ESSN 1091-6490
PubMed: 28137838
DOI: 10.1073/PNAS.1610097114