Magnesium in PDB 6vqp: Structure of CALU17 From the Calicheamicin Biosynthesis Pathway of Micromonospora Echinospora

The structure of Structure of CALU17 From the Calicheamicin Biosynthesis Pathway of Micromonospora Echinospora, PDB code: 6vqp was solved by A.J.Kosgei, M.D.Miller, W.Xu, S.G.Van Lanen, J.S.Thorson, G.N.Phillips Jr., with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.39 / 2.00
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	53.951, 53.951, 218.923, 90, 90, 90
R / Rfree (%)	15.5 / 22.6

The binding sites of Magnesium atom in the Structure of CALU17 From the Calicheamicin Biosynthesis Pathway of Micromonospora Echinospora (pdb code 6vqp). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structure of CALU17 From the Calicheamicin Biosynthesis Pathway of Micromonospora Echinospora, PDB code: 6vqp:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of CALU17 From the Calicheamicin Biosynthesis Pathway of Micromonospora Echinospora


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of CALU17 From the Calicheamicin Biosynthesis Pathway of Micromonospora Echinospora within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:29.8 occ:1.00 O A:HOH564 2.2 27.0 1.0 O A:GLY270 2.3 26.8 1.0 O A:VAL236 2.3 30.2 1.0 O A:GLY234 2.4 28.2 1.0 O A:GLY269 2.7 29.2 1.0 HA3 A:GLY269 2.9 31.8 1.0 C A:GLY269 3.1 24.1 1.0 C A:VAL236 3.2 25.7 1.0 C A:GLY234 3.3 29.4 1.0 C A:GLY270 3.3 29.3 1.0 H A:GLY234 3.4 36.0 1.0 CA A:GLY269 3.5 26.5 1.0 N A:GLY234 3.6 30.0 1.0 HA A:TYR237 3.6 39.3 1.0 H A:VAL236 3.6 33.2 1.0 HE22 A:GLN73 3.7 31.8 1.0 CA A:GLY234 3.7 27.9 1.0 HA2 A:GLY234 3.8 33.5 1.0 N A:GLY270 3.8 26.2 1.0 HG3 A:GLU238 3.8 34.6 1.0 HA A:SER271 3.8 33.7 1.0 HE21 A:GLN73 3.8 31.8 1.0 N A:VAL236 3.9 27.6 1.0 N A:TYR237 4.0 27.9 1.0 HA2 A:GLY269 4.1 31.8 1.0 O A:ARG268 4.1 26.7 1.0 NE2 A:GLN73 4.1 26.4 1.0 CA A:GLY270 4.1 27.4 1.0 O A:ASP231 4.2 28.3 1.0 CA A:TYR237 4.2 32.7 1.0 CA A:VAL236 4.2 29.4 1.0 N A:SER271 4.3 30.5 1.0 C A:THR233 4.3 33.0 1.0 H A:GLY270 4.4 31.4 1.0 N A:ASN235 4.4 30.1 1.0 OE2 A:GLU238 4.5 28.5 1.0 CA A:SER271 4.5 28.0 1.0 HB3 A:ASN235 4.5 27.4 1.0 HA3 A:GLY270 4.5 32.9 1.0 N A:GLY269 4.6 28.3 1.0 C A:ASN235 4.6 29.3 1.0 HA A:THR233 4.6 28.7 1.0 H A:TYR237 4.6 33.5 1.0 C A:TYR237 4.7 25.8 1.0 HA A:VAL236 4.7 35.3 1.0 HG23 A:VAL236 4.7 34.9 1.0 HA3 A:GLY234 4.7 33.5 1.0 HZ2 A:TRP157 4.7 29.1 1.0 CG A:GLU238 4.7 28.8 1.0 O A:MET232 4.7 29.9 1.0 C A:ARG268 4.8 29.6 1.0 C A:MET232 4.8 30.6 1.0 CA A:THR233 4.9 23.9 1.0 O A:THR233 4.9 30.7 1.0 H A:GLU238 4.9 36.0 1.0 HA2 A:GLY270 4.9 32.9 1.0 N A:THR233 4.9 28.3 1.0 CA A:ASN235 4.9 26.1 1.0 N A:GLU238 5.0 29.9 1.0 H A:SER271 5.0 36.6 1.0

Magnesium binding site 2 out of 2 in the Structure of CALU17 From the Calicheamicin Biosynthesis Pathway of Micromonospora Echinospora


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of CALU17 From the Calicheamicin Biosynthesis Pathway of Micromonospora Echinospora within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:34.1 occ:1.00 OE2 A:GLU283 1.7 31.9 0.4 O A:HOH582 1.9 31.9 1.0 O A:ARG284 2.1 28.3 1.0 OE2 A:GLU283 2.1 28.5 0.6 O A:HOH558 2.1 25.8 1.0 O A:HOH525 2.2 31.3 1.0 O A:HOH537 2.3 32.6 1.0 CD A:GLU283 2.9 28.5 0.4 H A:ARG284 2.9 33.4 1.0 CD A:GLU283 3.0 31.8 0.6 OE1 A:GLU283 3.2 27.2 0.6 C A:ARG284 3.3 28.1 1.0 N A:ARG284 3.6 27.9 1.0 OE1 A:GLU283 3.6 33.1 0.4 HG3 A:GLU283 3.7 39.5 0.4 O A:HOH506 3.7 30.4 0.4 O A:TRP52 3.8 36.2 1.0 HB2 A:ARG284 3.9 32.1 1.0 CG A:GLU283 3.9 32.9 0.4 CA A:ARG284 3.9 28.3 1.0 HD2 Q:PRO-4 4.0 71.5 1.0 OD2 A:ASP55 4.0 31.2 1.0 OD1 A:ASP55 4.2 31.8 1.0 HA A:LEU285 4.2 37.4 1.0 HA A:GLU283 4.3 32.5 0.4 HA A:GLU283 4.3 32.7 0.6 OE2 A:GLU56 4.3 27.6 1.0 N A:LEU285 4.4 28.9 1.0 CG A:GLU283 4.4 30.9 0.6 O A:HOH509 4.4 60.1 1.0 HG3 Q:PRO-4 4.4 81.2 1.0 OE1 A:GLN278 4.4 62.3 1.0 CB A:ARG284 4.5 26.7 1.0 HD3 Q:PRO-4 4.5 71.5 1.0 C A:GLU283 4.5 28.4 0.4 C A:GLU283 4.5 28.1 0.6 HG2 A:GLU283 4.5 39.5 0.4 CG A:ASP55 4.5 31.6 1.0 CD Q:PRO-4 4.6 59.6 1.0 HB2 A:LEU285 4.6 42.1 1.0 HG2 Q:PRO-4 4.6 81.2 1.0 HD13 A:LEU285 4.6 49.1 1.0 HA A:PHE53 4.6 37.6 1.0 HB2 A:GLU283 4.6 37.5 0.6 HD1 A:PHE53 4.7 39.5 1.0 HG3 A:GLU283 4.7 37.1 0.6 CA A:LEU285 4.7 31.2 1.0 CG Q:PRO-4 4.7 67.7 1.0 CA A:GLU283 4.7 27.3 0.6 CA A:GLU283 4.8 27.1 0.4 HD12 A:LEU285 4.8 49.1 1.0 HA A:ARG284 4.8 33.9 1.0 CB A:GLU283 4.8 31.3 0.6 CB A:GLU283 4.9 31.2 0.4 HG3 A:GLU56 4.9 34.5 1.0

A.J.Kosgei, M.D.Miller, W.Xu, S.G.Van Lanen, J.S.Thorson, G.N.Phillips Jr.. Structure of Dynf From the Dynemicin Biosynthesis Pathway of Micromonospora Chersina To Be Published.