Magnesium in PDB 8cav: Discovery of the Lanthipeptide Curvocidin and Structural Insights Into Its Trifunctional Synthetase Cuvl

The structure of Discovery of the Lanthipeptide Curvocidin and Structural Insights Into Its Trifunctional Synthetase Cuvl, PDB code: 8cav was solved by A.Sigurdsson, B.M.Martins, S.A.Duettmann, M.Jasyk, B.Dimos-Roehl, F.Schoepf, M.Gemannter, C.H.Knittel, R.Schnegotyzki, B.Schmid, S.Kosol, M.Gonzalez-Viegas, M.Seidel, M.Huegelland, S.Leimkuehler, H.Dobbek, A.Mainz, R.Suessmuth, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.76 / 2.87
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	84.37, 116.13, 97.41, 90, 106.25, 90
R / Rfree (%)	23.7 / 29.3

The binding sites of Magnesium atom in the Discovery of the Lanthipeptide Curvocidin and Structural Insights Into Its Trifunctional Synthetase Cuvl (pdb code 8cav). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Discovery of the Lanthipeptide Curvocidin and Structural Insights Into Its Trifunctional Synthetase Cuvl, PDB code: 8cav:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Discovery of the Lanthipeptide Curvocidin and Structural Insights Into Its Trifunctional Synthetase Cuvl


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Discovery of the Lanthipeptide Curvocidin and Structural Insights Into Its Trifunctional Synthetase Cuvl within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1004 b:56.1 occ:1.00 HD21 A:ASN354 1.8 57.4 1.0 O2A A:ANP1003 2.0 58.3 1.0 N3B A:ANP1003 2.3 97.6 1.0 OD2 A:ASP368 2.3 94.2 1.0 HNB1 A:ANP1003 2.4 94.8 1.0 ND2 A:ASN354 2.5 61.7 1.0 HD22 A:ASN354 2.6 57.4 1.0 PA A:ANP1003 3.2 119.0 1.0 PB A:ANP1003 3.2 92.8 1.0 O3A A:ANP1003 3.3 89.4 1.0 CG A:ASP368 3.4 74.0 1.0 HB2 A:ASP368 3.5 63.8 1.0 O1B A:ANP1003 3.6 81.5 1.0 PG A:ANP1003 3.6 120.8 1.0 CG A:ASN354 3.7 69.6 1.0 CB A:ASP368 3.8 64.4 1.0 O2G A:ANP1003 3.9 99.1 1.0 HB3 A:ASP368 3.9 63.8 1.0 O5' A:ANP1003 3.9 82.4 1.0 HO3' A:ANP1003 3.9 54.6 1.0 OD1 A:ASN354 4.1 74.1 1.0 O1G A:ANP1003 4.2 86.0 1.0 O3' A:ANP1003 4.3 57.4 1.0 HB A:THR353 4.3 40.4 1.0 O1A A:ANP1003 4.4 93.1 1.0 H3' A:ANP1003 4.4 63.1 1.0 OD1 A:ASP368 4.4 73.0 1.0 HG1 A:THR353 4.6 53.6 1.0 O2B A:ANP1003 4.6 102.5 1.0 OG1 A:THR353 4.8 57.1 1.0 C3' A:ANP1003 4.8 65.9 1.0 O3G A:ANP1003 4.9 97.5 1.0 CB A:ASN354 4.9 70.9 1.0 HA A:ASN354 4.9 60.7 1.0 O A:THR353 4.9 46.7 1.0 HB3 A:ASN354 5.0 66.5 1.0

Magnesium binding site 2 out of 2 in the Discovery of the Lanthipeptide Curvocidin and Structural Insights Into Its Trifunctional Synthetase Cuvl


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Discovery of the Lanthipeptide Curvocidin and Structural Insights Into Its Trifunctional Synthetase Cuvl within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1104 b:86.1 occ:1.00 HD21 B:ASN354 1.8 69.8 1.0 O5' B:ANP1102 2.4 87.0 1.0 ND2 B:ASN354 2.5 74.6 1.0 H5'1 B:ANP1102 2.6 90.1 1.0 C5' B:ANP1102 2.8 93.7 1.0 HD22 B:ASN354 2.8 69.8 1.0 H5'2 B:ANP1102 2.9 90.1 1.0 O2B B:ANP1102 3.0 99.7 1.0 N3B B:ANP1102 3.1 106.2 1.0 OD2 B:ASP368 3.1 78.1 1.0 CG B:ASN354 3.4 80.2 1.0 PB B:ANP1102 3.5 97.5 1.0 HNB1 B:ANP1102 3.6 102.6 1.0 HG22 B:THR353 3.6 59.8 1.0 OD1 B:ASN354 3.6 82.0 1.0 PA B:ANP1102 3.7 77.1 1.0 HB3 B:ASP368 3.8 72.5 1.0 HB B:THR353 3.9 48.1 1.0 CG B:ASP368 4.1 78.9 1.0 O3A B:ANP1102 4.1 93.6 1.0 PG B:ANP1102 4.1 123.2 1.0 O2G B:ANP1102 4.2 110.2 1.0 O1A B:ANP1102 4.2 64.0 1.0 C4' B:ANP1102 4.3 99.2 1.0 CG2 B:THR353 4.3 64.1 1.0 O B:THR353 4.3 69.8 1.0 CB B:ASP368 4.4 74.8 1.0 O1G B:ANP1102 4.4 99.7 1.0 HG21 B:THR353 4.4 59.8 1.0 HB2 B:ASP368 4.5 72.5 1.0 HA B:ASN354 4.5 66.6 1.0 H4' B:ANP1102 4.5 95.6 1.0 CB B:THR353 4.6 51.9 1.0 C B:THR353 4.6 68.1 1.0 OD2 B:ASP349 4.6 69.0 1.0 CB B:ASN354 4.7 84.9 1.0 N B:ASN354 4.9 68.1 1.0 HG1 B:THR351 4.9 56.5 1.0 O1B B:ANP1102 4.9 94.9 1.0 CA B:ASN354 4.9 71.6 1.0 O2A B:ANP1102 5.0 83.3 1.0

A.Sigurdsson, B.M.Martins, S.A.Duttmann, M.Jasyk, B.Dimos-Rohl, F.Schopf, M.Gemander, C.H.Knittel, R.Schnegotzki, B.Schmid, S.Kosol, L.Pommerening, M.Gonzales-Viegaz, M.Seidel, M.Hugelland, S.Leimkuhler, H.Dobbek, A.Mainz, R.D.Sussmuth. Discovery of the Lanthipeptide Curvocidin and Structural Insights Into Its Trifunctional Synthetase Cuvl. Angew.Chem.Int.Ed.Engl. V. 62 02490 2023.
ISSN: ESSN 1521-3773
PubMed: 37014271
DOI: 10.1002/ANIE.202302490