Magnesium in PDB 7en1: Pyochelin Synthetase, A Dimeric Nonribosomal Peptide Synthetase Elongation Module-After-Condensation

The binding sites of Magnesium atom in the Pyochelin Synthetase, A Dimeric Nonribosomal Peptide Synthetase Elongation Module-After-Condensation (pdb code 7en1). 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-After-Condensation, PDB code: 7en1:
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-After-Condensation


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-After-Condensation within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1503 b:50.0 occ:1.00 O3P A:AMP1504 1.9 20.0 1.0 O2P A:AMP1504 1.9 20.0 1.0 P A:AMP1504 2.5 20.0 1.0 O1P A:AMP1504 3.6 20.0 1.0 H3' A:AMP1504 3.6 20.0 1.0 O5' A:AMP1504 3.6 20.0 1.0 HB3 A:ALA841 4.0 53.3 1.0 H4' A:AMP1504 4.1 20.0 1.0 HD2 A:ARG942 4.2 63.0 1.0 HG1 A:THR697 4.4 69.9 1.0 C3' A:AMP1504 4.4 20.0 1.0 C A:CYS1505 4.4 20.0 1.0 C5' A:AMP1504 4.5 20.0 1.0 C4' A:AMP1504 4.5 20.0 1.0 H5'2 A:AMP1504 4.6 20.0 1.0 HB A:THR697 4.8 69.9 1.0 HB1 A:ALA841 4.8 53.3 1.0 HH11 A:ARG942 4.8 63.0 1.0 NE A:ARG942 4.9 63.0 1.0 CZ A:ARG942 4.9 63.0 1.0 NH1 A:ARG942 4.9 63.0 1.0 CB A:ALA841 4.9 53.3 1.0 O A:CYS1505 5.0 20.0 1.0 O3' A:AMP1504 5.0 20.0 1.0 CD A:ARG942 5.0 63.0 1.0

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


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-After-Condensation within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1503 b:50.0 occ:1.00 O2P B:AMP1504 1.8 20.0 1.0 O3P B:AMP1504 2.0 20.0 1.0 NH1 B:ARG953 2.0 67.4 1.0 OG1 B:THR842 2.1 54.1 1.0 HH11 B:ARG953 2.2 67.4 1.0 P B:AMP1504 2.2 20.0 1.0 HG1 B:THR842 2.3 54.1 1.0 HH12 B:ARG953 2.4 67.4 1.0 HD3 B:ARG953 2.5 67.4 1.0 H B:THR842 2.5 54.1 1.0 O1P B:AMP1504 2.6 20.0 1.0 HD2 B:ARG953 2.8 67.4 1.0 OE1 B:GLU843 3.0 52.3 1.0 CZ B:ARG953 3.0 67.4 1.0 CD B:ARG953 3.0 67.4 1.0 CB B:THR842 3.2 54.1 1.0 HB B:THR842 3.2 54.1 1.0 HB3 B:ALA841 3.3 53.3 1.0 N B:THR842 3.3 54.1 1.0 NE B:ARG953 3.4 67.4 1.0 O5' B:AMP1504 3.8 20.0 1.0 CA B:THR842 3.8 54.1 1.0 H3' B:AMP1504 3.9 20.0 1.0 OG1 B:THR697 3.9 69.9 1.0 H5'2 B:AMP1504 3.9 20.0 1.0 HA B:ALA841 3.9 53.3 1.0 H B:GLU843 4.0 52.3 1.0 CD B:GLU843 4.0 52.3 1.0 NH2 B:ARG953 4.0 67.4 1.0 HB B:THR697 4.1 69.9 1.0 HH22 B:ARG953 4.2 67.4 1.0 HB2 B:ARG953 4.2 67.4 1.0 CB B:ALA841 4.2 53.3 1.0 HB3 B:ARG953 4.3 67.4 1.0 C B:ALA841 4.3 53.3 1.0 OE2 B:GLU843 4.3 52.3 1.0 HG21 B:THR697 4.3 69.9 1.0 CG B:ARG953 4.4 67.4 1.0 CA B:ALA841 4.4 53.3 1.0 C5' B:AMP1504 4.4 20.0 1.0 CG2 B:THR842 4.4 54.1 1.0 HE B:ARG953 4.4 67.4 1.0 HG1 B:THR697 4.4 69.9 1.0 HG21 B:THR842 4.4 54.1 1.0 CB B:THR697 4.5 69.9 1.0 HA B:THR842 4.5 54.1 1.0 OXT B:CYS1505 4.5 20.0 1.0 CB B:ARG953 4.5 67.4 1.0 HG22 B:THR842 4.8 54.1 1.0 HB1 B:ALA841 4.8 53.3 1.0 N B:GLU843 4.8 52.3 1.0 C3' B:AMP1504 4.8 20.0 1.0 OE1 B:GLN946 4.9 69.5 1.0 HH21 B:ARG953 4.9 67.4 1.0 C B:THR842 4.9 54.1 1.0 HB2 B:ALA841 4.9 53.3 1.0 HG2 B:ARG953 4.9 67.4 1.0 CG2 B:THR697 5.0 69.9 1.0 HG21 B:VAL707 5.0 52.5 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.