Magnesium in PDB 7emy: Pyochelin Synthetase, A Dimeric Nonribosomal Peptide Synthetase Elongation Module

The binding sites of Magnesium atom in the Pyochelin Synthetase, A Dimeric Nonribosomal Peptide Synthetase Elongation Module (pdb code 7emy). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Pyochelin Synthetase, A Dimeric Nonribosomal Peptide Synthetase Elongation Module, PDB code: 7emy:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Pyochelin Synthetase, A Dimeric Nonribosomal Peptide Synthetase Elongation Module


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Pyochelin Synthetase, A Dimeric Nonribosomal Peptide Synthetase Elongation Module within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1503 b:63.9 occ:1.00 O2P A:AMP1504 1.8 56.3 1.0 O3P A:AMP1504 1.8 56.3 1.0 HD2 A:ARG953 2.0 66.1 1.0 NH1 A:ARG953 2.1 66.1 1.0 HH11 A:ARG953 2.2 66.1 1.0 P A:AMP1504 2.3 56.3 1.0 CZ A:ARG953 2.6 66.1 1.0 OE1 A:GLN946 2.6 67.8 1.0 CD A:ARG953 2.7 66.1 1.0 H3' A:AMP1504 2.7 56.3 1.0 NE A:ARG953 2.7 66.1 1.0 HH12 A:ARG953 2.8 66.1 1.0 H A:THR842 3.0 53.5 1.0 HB3 A:ALA841 3.0 51.0 1.0 O1P A:AMP1504 3.2 56.3 1.0 HG3 A:ARG953 3.2 66.1 1.0 OG1 A:THR842 3.3 53.5 1.0 HG1 A:THR842 3.4 53.5 1.0 CG A:ARG953 3.5 66.1 1.0 HD3 A:ARG953 3.6 66.1 1.0 O5' A:AMP1504 3.6 56.3 1.0 HE A:ARG953 3.6 66.1 1.0 HB2 A:ARG953 3.7 66.1 1.0 C3' A:AMP1504 3.7 56.3 1.0 NH2 A:ARG953 3.7 66.1 1.0 C A:CYS1505 3.8 20.0 1.0 CD A:GLN946 3.8 67.8 1.0 HA A:ALA841 3.8 51.0 1.0 CB A:ALA841 4.0 51.0 1.0 N A:THR842 4.0 53.5 1.0 O A:CYS1505 4.0 20.0 1.0 H4' A:AMP1504 4.0 56.3 1.0 CB A:ARG953 4.1 66.1 1.0 C4' A:AMP1504 4.1 56.3 1.0 HE22 A:GLN946 4.1 67.8 1.0 HH22 A:ARG953 4.2 66.1 1.0 OE1 A:GLU843 4.2 50.2 1.0 C5' A:AMP1504 4.2 56.3 1.0 HZ3 A:LYS948 4.2 68.7 1.0 H5'2 A:AMP1504 4.2 56.3 1.0 HB1 A:ALA841 4.2 51.0 1.0 O3' A:AMP1504 4.3 56.3 1.0 CA A:ALA841 4.3 51.0 1.0 CB A:THR842 4.4 53.5 1.0 HG2 A:ARG953 4.4 66.1 1.0 HH21 A:ARG953 4.4 66.1 1.0 HB A:THR842 4.4 53.5 1.0 NE2 A:GLN946 4.4 67.8 1.0 HB3 A:ARG953 4.5 66.1 1.0 HB3 A:CYS1505 4.6 20.0 1.0 H2' A:AMP1504 4.6 56.3 1.0 C A:ALA841 4.7 51.0 1.0 HE3 A:LYS948 4.7 68.7 1.0 HB2 A:ALA841 4.8 51.0 1.0 HG3 A:GLN946 4.8 67.8 1.0 HB A:THR697 4.8 63.7 1.0 CA A:THR842 4.8 53.5 1.0 C2' A:AMP1504 4.8 56.3 1.0 CG A:GLN946 4.9 67.8 1.0 H A:GLU843 5.0 50.2 1.0

Magnesium binding site 2 out of 2 in the Pyochelin Synthetase, A Dimeric Nonribosomal Peptide Synthetase Elongation Module


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Pyochelin Synthetase, A Dimeric Nonribosomal Peptide Synthetase Elongation Module within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1503 b:61.0 occ:1.00 O2P B:AMP1504 1.8 53.7 1.0 O3P B:AMP1504 1.8 53.7 1.0 HD2 B:ARG953 1.9 62.0 1.0 NH1 B:ARG953 2.2 62.0 1.0 HH11 B:ARG953 2.2 62.0 1.0 P B:AMP1504 2.3 53.7 1.0 CD B:ARG953 2.6 62.0 1.0 CZ B:ARG953 2.6 62.0 1.0 OE1 B:GLN946 2.6 62.5 1.0 NE B:ARG953 2.7 62.0 1.0 H3' B:AMP1504 2.7 53.7 1.0 HH12 B:ARG953 2.9 62.0 1.0 H B:THR842 3.0 51.6 1.0 HG3 B:ARG953 3.0 62.0 1.0 O1P B:AMP1504 3.1 53.7 1.0 HB3 B:ALA841 3.2 48.9 1.0 OG1 B:THR842 3.3 51.6 1.0 CG B:ARG953 3.3 62.0 1.0 HG1 B:THR842 3.4 51.6 1.0 HD3 B:ARG953 3.5 62.0 1.0 HE B:ARG953 3.5 62.0 1.0 HB2 B:ARG953 3.6 62.0 1.0 O5' B:AMP1504 3.6 53.7 1.0 C3' B:AMP1504 3.7 53.7 1.0 NH2 B:ARG953 3.7 62.0 1.0 CD B:GLN946 3.8 62.5 1.0 C B:CYS1505 3.8 20.0 1.0 HA B:ALA841 3.8 48.9 1.0 H4' B:AMP1504 3.9 53.7 1.0 CB B:ARG953 4.0 62.0 1.0 N B:THR842 4.0 51.6 1.0 HE22 B:GLN946 4.0 62.5 1.0 O B:CYS1505 4.0 20.0 1.0 C4' B:AMP1504 4.1 53.7 1.0 HZ2 B:LYS948 4.1 63.9 1.0 CB B:ALA841 4.1 48.9 1.0 C5' B:AMP1504 4.2 53.7 1.0 H5'2 B:AMP1504 4.2 53.7 1.0 HG2 B:ARG953 4.2 62.0 1.0 HH22 B:ARG953 4.2 62.0 1.0 O3' B:AMP1504 4.3 53.7 1.0 OE1 B:GLU843 4.3 48.7 1.0 NE2 B:GLN946 4.3 62.5 1.0 CB B:THR842 4.4 51.6 1.0 HB3 B:ARG953 4.4 62.0 1.0 CA B:ALA841 4.4 48.9 1.0 HH21 B:ARG953 4.4 62.0 1.0 HB1 B:ALA841 4.5 48.9 1.0 HB B:THR842 4.5 51.6 1.0 HE3 B:LYS948 4.6 63.9 1.0 HB3 B:CYS1505 4.6 20.0 1.0 H2' B:AMP1504 4.7 53.7 1.0 C B:ALA841 4.7 48.9 1.0 CA B:THR842 4.8 51.6 1.0 HB B:THR697 4.8 60.1 1.0 C2' B:AMP1504 4.9 53.7 1.0 CG B:GLN946 4.9 62.5 1.0 HG3 B:GLN946 4.9 62.5 1.0 HB2 B:ALA841 4.9 48.9 1.0 NZ B:LYS948 4.9 63.9 1.0 OG1 B:THR697 5.0 60.1 1.0

J.L.Wang, Z.J.Wang. Catalytic Trajectory of A Dimeric Nonribosomal Peptide Synthetase Subunit with An Inserted Epimerase Domain To Be Published.