Magnesium in PDB 1p4n: Crystal Structure of Weissella Viridescens Femx:Udp-Murnac- Pentapeptide Complex

All present enzymatic activity of Crystal Structure of Weissella Viridescens Femx:Udp-Murnac- Pentapeptide Complex:
2.3.2.10;

The structure of Crystal Structure of Weissella Viridescens Femx:Udp-Murnac- Pentapeptide Complex, PDB code: 1p4n was solved by S.Biarrotte-Sorin, A.Maillard, J.Delettre, W.Sougakoff, M.Arthur, C.Mayer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.57 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.201, 100.610, 46.538, 90.00, 115.64, 90.00
R / Rfree (%)	17.2 / 20.7

The binding sites of Magnesium atom in the Crystal Structure of Weissella Viridescens Femx:Udp-Murnac- Pentapeptide Complex (pdb code 1p4n). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of Weissella Viridescens Femx:Udp-Murnac- Pentapeptide Complex, PDB code: 1p4n:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of Weissella Viridescens Femx:Udp-Murnac- Pentapeptide Complex


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 Weissella Viridescens Femx:Udp-Murnac- Pentapeptide Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:28.2 occ:1.00 O A:HOH523 2.7 22.1 1.0 O A:HOH522 2.8 16.9 1.0 O A:PHE308 2.9 10.7 1.0 N A:LYS310 3.1 15.1 1.0 CA A:VAL309 3.4 11.1 1.0 C A:PHE308 3.6 11.0 1.0 CE2 A:TYR165 3.6 10.3 1.0 CD1 A:LEU150 3.7 14.9 1.0 CD A:LYS310 3.7 26.0 1.0 C A:VAL309 3.7 12.2 1.0 N A:VAL309 3.9 11.0 1.0 CB A:LYS310 4.1 19.6 1.0 CA A:LYS310 4.1 16.8 1.0 CD2 A:TYR165 4.2 11.3 1.0 CG A:LYS310 4.5 22.9 1.0 CZ A:TYR165 4.5 9.7 1.0 OH A:TYR165 4.6 11.5 1.0 O A:HOH524 4.7 47.6 1.0 CB A:VAL309 4.7 9.8 1.0 N A:ASP311 4.7 18.8 1.0 CA A:PHE308 4.8 11.3 1.0 O A:LEU164 4.9 9.2 1.0 CE A:LYS310 4.9 26.9 1.0 O A:VAL309 5.0 13.1 1.0 CG A:LEU150 5.0 13.3 1.0 C A:LYS310 5.0 17.8 1.0 CG1 A:VAL309 5.0 10.8 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of Weissella Viridescens Femx:Udp-Murnac- Pentapeptide Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Weissella Viridescens Femx:Udp-Murnac- Pentapeptide Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg582 b:31.1 occ:1.00 O A:THR66 2.4 16.6 1.0 O A:THR64 2.6 11.0 1.0 O A:HOH777 2.6 13.4 1.0 O A:HOH706 2.6 24.9 1.0 O A:HOH707 2.7 45.3 1.0 C A:THR66 3.6 15.4 1.0 C A:THR64 3.7 12.1 1.0 N A:THR66 4.0 15.6 1.0 N A:THR64 4.1 11.5 1.0 C A:PRO65 4.3 15.2 1.0 CA A:THR66 4.4 14.8 1.0 OG1 A:THR64 4.4 13.4 1.0 N A:ASP67 4.5 15.9 1.0 CA A:THR64 4.5 11.7 1.0 CA A:PRO65 4.6 15.2 1.0 N A:PRO65 4.6 13.0 1.0 CA A:ASP67 4.6 18.4 1.0 CB A:ASP63 4.7 15.3 1.0 OD1 A:ASP63 4.7 20.1 1.0 O A:PRO65 4.8 16.6 1.0 O A:LYS68 4.9 13.1 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of Weissella Viridescens Femx:Udp-Murnac- Pentapeptide Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Weissella Viridescens Femx:Udp-Murnac- Pentapeptide Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg683 b:34.6 occ:1.00 O A:LEU280 2.5 11.7 1.0 O A:HOH498 2.5 18.8 1.0 OD1 A:ASN283 2.6 23.4 1.0 O A:HOH499 2.7 21.3 1.0 O A:HOH502 2.7 39.4 1.0 CG A:ASN283 3.6 19.5 1.0 C A:LEU280 3.6 11.5 1.0 O A:HOH798 3.9 50.4 1.0 O A:HOH497 4.0 22.3 1.0 N A:ASN283 4.1 10.5 1.0 O A:HOH512 4.1 20.4 1.0 O A:HOH500 4.1 41.1 1.0 CA A:ASN283 4.2 13.2 1.0 ND2 A:ASN283 4.4 23.7 1.0 CB A:ASN283 4.4 17.0 1.0 CA A:LEU280 4.4 10.8 1.0 N A:ASP281 4.5 11.8 1.0 CA A:ASP281 4.5 12.6 1.0 C A:ASP281 4.5 14.0 1.0 O A:ASP281 4.6 13.6 1.0 CB A:LEU280 4.9 11.1 1.0 O A:HOH513 4.9 20.1 1.0 O A:ALA158 4.9 17.8 1.0

S.Biarrotte-Sorin, A.P.Maillard, J.Delettre, W.Sougakoff, M.Arthur, C.Mayer. Crystal Structures of Weissella Viridescens Femx and Its Complex with Udp-Murnac-Pentapeptide: Insights Into Femabx Family Substrates Recognition. Structure V. 12 257 2004.
ISSN: ISSN 0969-2126
PubMed: 14962386
DOI: 10.1016/J.STR.2004.01.006