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

Magnesium Binding Sites:

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 7emy

Go back to Magnesium Binding Sites List in 7emy
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 7emy

Go back to Magnesium Binding Sites List in 7emy
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

Reference:

J.L.Wang, Z.J.Wang. Catalytic Trajectory of A Dimeric Nonribosomal Peptide Synthetase Subunit with An Inserted Epimerase Domain To Be Published.
Page generated: Fri Dec 24 06:38:19 2021

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