Magnesium in PDB 8uv4: M. Tuberculosis Ctp Synthase Filament Bound to Substrates

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>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 24;

Binding sites:

The binding sites of Magnesium atom in the M. Tuberculosis Ctp Synthase Filament Bound to Substrates (pdb code 8uv4). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 24 binding sites of Magnesium where determined in the M. Tuberculosis Ctp Synthase Filament Bound to Substrates, PDB code: 8uv4:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Magnesium binding site 1 out of 24 in the M. Tuberculosis Ctp Synthase Filament Bound to Substrates


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of M. Tuberculosis Ctp Synthase Filament Bound to Substrates within 5.0Å range: probe atom residue distance (Å) B Occ R:Mg603 b:49.6 occ:1.00 O31 R:5ZL602 1.9 55.3 1.0 O3B R:ADP601 2.0 45.1 1.0 P30 R:5ZL602 3.1 55.3 1.0 O33 R:5ZL602 3.2 55.3 1.0 PB R:ADP601 3.4 45.1 1.0 O1B R:ADP601 3.7 45.1 1.0 O2A R:ADP601 3.8 45.1 1.0 H R:SER21 4.0 43.4 1.0 O2B R:ADP601 4.0 45.1 1.0 H4 R:5ZL602 4.0 55.3 1.0 O12 R:5ZL602 4.0 55.3 1.0 O32 R:5ZL602 4.1 55.3 1.0 HA R:SER21 4.3 43.4 1.0 HB2 R:SER20 4.3 43.5 1.0 HB3 R:HIS63 4.5 82.6 1.0 O3A R:ADP601 4.6 45.1 1.0 OG R:SER21 4.7 43.4 1.0 N R:SER21 4.7 43.4 1.0 C28 R:5ZL602 4.8 55.3 1.0 PA R:ADP601 4.8 45.1 1.0 H5'1 R:ADP601 4.8 45.1 1.0 HD21 R:LEU77 4.9 68.5 1.0 OD2 R:ASP78 4.9 55.6 1.0 C29 R:5ZL602 4.9 55.3 1.0 CA R:SER21 4.9 43.4 1.0 ND1 R:HIS63 4.9 82.6 1.0

Magnesium binding site 2 out of 24 in the M. Tuberculosis Ctp Synthase Filament Bound to Substrates


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of M. Tuberculosis Ctp Synthase Filament Bound to Substrates within 5.0Å range: probe atom residue distance (Å) B Occ R:Mg604 b:48.9 occ:1.00 O11 R:5ZL602 1.9 55.3 1.0 O18 R:5ZL602 2.4 55.3 1.0 O15 R:5ZL602 2.6 55.3 1.0 P01 R:5ZL602 3.3 55.3 1.0 P02 R:5ZL602 3.7 55.3 1.0 P03 R:5ZL602 3.8 55.3 1.0 HZ3 X:LYS199 3.9 45.4 1.0 O10 R:5ZL602 4.0 55.3 1.0 HZ3 X:LYS235 4.0 49.5 1.0 O09 R:5ZL602 4.0 55.3 1.0 HZ2 X:LYS199 4.1 45.4 1.0 O13 R:5ZL602 4.3 55.3 1.0 O07 R:5ZL602 4.3 55.3 1.0 HG R:SER20 4.3 43.5 1.0 HE1 R:HIS63 4.3 82.6 1.0 O R:GLN62 4.4 88.0 1.0 NZ X:LYS199 4.4 45.4 1.0 O17 R:5ZL602 4.4 55.3 1.0 H6 R:5ZL602 4.6 55.3 1.0 HZ1 X:LYS235 4.6 49.5 1.0 NZ X:LYS235 4.6 49.5 1.0 HZ2 X:LYS235 4.7 49.5 1.0 O16 R:5ZL602 4.7 55.3 1.0 HZ1 X:LYS199 4.7 45.4 1.0 CE1 R:HIS63 4.8 82.6 1.0 O14 R:5ZL602 4.8 55.3 1.0 C25 R:5ZL602 5.0 55.3 1.0 OG R:SER20 5.0 43.5 1.0

Magnesium binding site 3 out of 24 in the M. Tuberculosis Ctp Synthase Filament Bound to Substrates


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of M. Tuberculosis Ctp Synthase Filament Bound to Substrates within 5.0Å range: probe atom residue distance (Å) B Occ R:Mg605 b:46.1 occ:1.00 O11 X:5ZL602 1.9 57.7 1.0 O18 X:5ZL602 2.3 57.7 1.0 O15 X:5ZL602 2.6 57.7 1.0 P01 X:5ZL602 3.3 57.7 1.0 P03 X:5ZL602 3.6 57.7 1.0 P02 X:5ZL602 3.6 57.7 1.0 HZ3 R:LYS199 3.7 44.5 1.0 HZ2 R:LYS199 3.7 44.5 1.0 O09 X:5ZL602 4.0 57.7 1.0 O10 X:5ZL602 4.0 57.7 1.0 HZ3 R:LYS235 4.1 43.6 1.0 NZ R:LYS199 4.1 44.5 1.0 HG X:SER20 4.2 47.0 1.0 O13 X:5ZL602 4.2 57.7 1.0 O07 X:5ZL602 4.3 57.7 1.0 O17 X:5ZL602 4.3 57.7 1.0 HZ1 R:LYS199 4.5 44.5 1.0 H6 X:5ZL602 4.5 57.7 1.0 O16 X:5ZL602 4.5 57.7 1.0 O X:GLN62 4.5 90.9 1.0 HE1 X:HIS63 4.6 89.1 1.0 NZ R:LYS235 4.7 43.6 1.0 HZ2 R:LYS235 4.7 43.6 1.0 HZ1 R:LYS235 4.7 43.6 1.0 O14 X:5ZL602 4.8 57.7 1.0 OG X:SER20 4.8 47.0 1.0 C25 X:5ZL602 4.9 57.7 1.0

Magnesium binding site 4 out of 24 in the M. Tuberculosis Ctp Synthase Filament Bound to Substrates


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of M. Tuberculosis Ctp Synthase Filament Bound to Substrates within 5.0Å range: probe atom residue distance (Å) B Occ V:Mg603 b:48.7 occ:1.00 O31 V:5ZL602 1.9 55.4 1.0 O3B V:ADP601 2.1 44.6 1.0 P30 V:5ZL602 3.1 55.4 1.0 O33 V:5ZL602 3.1 55.4 1.0 PB V:ADP601 3.4 44.6 1.0 O1B V:ADP601 3.7 44.6 1.0 O2A V:ADP601 3.8 44.6 1.0 H V:SER21 4.0 43.4 1.0 O2B V:ADP601 4.0 44.6 1.0 H4 V:5ZL602 4.0 55.4 1.0 O12 V:5ZL602 4.0 55.4 1.0 O32 V:5ZL602 4.1 55.4 1.0 HA V:SER21 4.3 43.4 1.0 HB2 V:SER20 4.3 43.5 1.0 HB3 V:HIS63 4.5 82.7 1.0 O3A V:ADP601 4.6 44.6 1.0 OG V:SER21 4.7 43.4 1.0 N V:SER21 4.7 43.4 1.0 C28 V:5ZL602 4.8 55.4 1.0 PA V:ADP601 4.8 44.6 1.0 H5'1 V:ADP601 4.8 44.6 1.0 HD21 V:LEU77 4.9 68.2 1.0 OD2 V:ASP78 4.9 55.1 1.0 C29 V:5ZL602 4.9 55.4 1.0 CA V:SER21 4.9 43.4 1.0 ND1 V:HIS63 4.9 82.7 1.0

Magnesium binding site 5 out of 24 in the M. Tuberculosis Ctp Synthase Filament Bound to Substrates


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of M. Tuberculosis Ctp Synthase Filament Bound to Substrates within 5.0Å range: probe atom residue distance (Å) B Occ V:Mg604 b:49.4 occ:1.00 O11 V:5ZL602 1.9 55.4 1.0 O18 V:5ZL602 2.4 55.4 1.0 O15 V:5ZL602 2.6 55.4 1.0 P01 V:5ZL602 3.3 55.4 1.0 P02 V:5ZL602 3.7 55.4 1.0 P03 V:5ZL602 3.8 55.4 1.0 HZ3 b:LYS199 3.9 45.4 1.0 O10 V:5ZL602 4.0 55.4 1.0 O09 V:5ZL602 4.0 55.4 1.0 HZ3 b:LYS235 4.0 49.4 1.0 HZ2 b:LYS199 4.1 45.4 1.0 O13 V:5ZL602 4.3 55.4 1.0 O07 V:5ZL602 4.3 55.4 1.0 HG V:SER20 4.3 43.5 1.0 HE1 V:HIS63 4.3 82.7 1.0 O V:GLN62 4.4 88.0 1.0 NZ b:LYS199 4.4 45.4 1.0 O17 V:5ZL602 4.4 55.4 1.0 H6 V:5ZL602 4.6 55.4 1.0 HZ1 b:LYS235 4.6 49.4 1.0 NZ b:LYS235 4.6 49.4 1.0 HZ2 b:LYS235 4.7 49.4 1.0 O16 V:5ZL602 4.7 55.4 1.0 HZ1 b:LYS199 4.7 45.4 1.0 CE1 V:HIS63 4.8 82.7 1.0 O14 V:5ZL602 4.8 55.4 1.0 C25 V:5ZL602 5.0 55.4 1.0 OG V:SER20 5.0 43.5 1.0

Magnesium binding site 6 out of 24 in the M. Tuberculosis Ctp Synthase Filament Bound to Substrates


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of M. Tuberculosis Ctp Synthase Filament Bound to Substrates within 5.0Å range: probe atom residue distance (Å) B Occ V:Mg605 b:47.0 occ:1.00 O11 b:5ZL602 1.9 57.7 1.0 O18 b:5ZL602 2.3 57.7 1.0 O15 b:5ZL602 2.6 57.7 1.0 P01 b:5ZL602 3.3 57.7 1.0 P03 b:5ZL602 3.6 57.7 1.0 P02 b:5ZL602 3.7 57.7 1.0 HZ3 V:LYS199 3.7 44.7 1.0 HZ2 V:LYS199 3.7 44.7 1.0 O09 b:5ZL602 4.0 57.7 1.0 O10 b:5ZL602 4.0 57.7 1.0 HZ3 V:LYS235 4.0 43.6 1.0 NZ V:LYS199 4.1 44.7 1.0 HG b:SER20 4.2 47.0 1.0 O13 b:5ZL602 4.2 57.7 1.0 O07 b:5ZL602 4.3 57.7 1.0 O17 b:5ZL602 4.3 57.7 1.0 HZ1 V:LYS199 4.5 44.7 1.0 H6 b:5ZL602 4.5 57.7 1.0 O16 b:5ZL602 4.5 57.7 1.0 O b:GLN62 4.5 91.4 1.0 HE1 b:HIS63 4.6 89.6 1.0 NZ V:LYS235 4.7 43.6 1.0 HZ2 V:LYS235 4.7 43.6 1.0 HZ1 V:LYS235 4.7 43.6 1.0 O14 b:5ZL602 4.8 57.7 1.0 OG b:SER20 4.8 47.0 1.0 C25 b:5ZL602 4.9 57.7 1.0

Magnesium binding site 7 out of 24 in the M. Tuberculosis Ctp Synthase Filament Bound to Substrates


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of M. Tuberculosis Ctp Synthase Filament Bound to Substrates within 5.0Å range: probe atom residue distance (Å) B Occ X:Mg603 b:52.0 occ:1.00 O31 X:5ZL602 1.9 57.7 1.0 O3B X:ADP601 2.0 59.9 1.0 P30 X:5ZL602 3.2 57.7 1.0 PB X:ADP601 3.3 59.9 1.0 O33 X:5ZL602 3.4 57.7 1.0 O1B X:ADP601 3.6 59.9 1.0 H X:SER21 3.8 50.4 1.0 HA X:SER21 4.0 50.4 1.0 O32 X:5ZL602 4.1 57.7 1.0 O2A X:ADP601 4.1 59.9 1.0 O2B X:ADP601 4.1 59.9 1.0 H4 X:5ZL602 4.2 57.7 1.0 OG X:SER21 4.2 50.4 1.0 HB2 X:SER20 4.2 47.0 1.0 O12 X:5ZL602 4.3 57.7 1.0 HB3 X:HIS63 4.4 89.1 1.0 O3A X:ADP601 4.4 59.9 1.0 N X:SER21 4.5 50.4 1.0 ND1 X:HIS63 4.5 89.1 1.0 H5'1 X:ADP601 4.6 59.9 1.0 CA X:SER21 4.6 50.4 1.0 HG X:SER21 4.8 50.4 1.0 HA X:HIS63 4.8 89.1 1.0 PA X:ADP601 4.9 59.9 1.0 C28 X:5ZL602 4.9 57.7 1.0

Magnesium binding site 8 out of 24 in the M. Tuberculosis Ctp Synthase Filament Bound to Substrates


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of M. Tuberculosis Ctp Synthase Filament Bound to Substrates within 5.0Å range: probe atom residue distance (Å) B Occ b:Mg603 b:51.9 occ:1.00 O31 b:5ZL602 1.9 57.7 1.0 O3B b:ADP601 2.0 60.0 1.0 P30 b:5ZL602 3.2 57.7 1.0 PB b:ADP601 3.4 60.0 1.0 O33 b:5ZL602 3.4 57.7 1.0 O1B b:ADP601 3.6 60.0 1.0 H b:SER21 3.8 50.4 1.0 HA b:SER21 4.0 50.4 1.0 O32 b:5ZL602 4.1 57.7 1.0 O2A b:ADP601 4.1 60.0 1.0 O2B b:ADP601 4.1 60.0 1.0 H4 b:5ZL602 4.2 57.7 1.0 OG b:SER21 4.2 50.4 1.0 HB2 b:SER20 4.2 47.0 1.0 O12 b:5ZL602 4.3 57.7 1.0 HB3 b:HIS63 4.4 89.6 1.0 O3A b:ADP601 4.5 60.0 1.0 N b:SER21 4.5 50.4 1.0 ND1 b:HIS63 4.5 89.6 1.0 H5'1 b:ADP601 4.6 60.0 1.0 CA b:SER21 4.6 50.4 1.0 HG b:SER21 4.8 50.4 1.0 HA b:HIS63 4.8 89.6 1.0 PA b:ADP601 4.9 60.0 1.0 C28 b:5ZL602 4.9 57.7 1.0

Magnesium binding site 9 out of 24 in the M. Tuberculosis Ctp Synthase Filament Bound to Substrates


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 9 of M. Tuberculosis Ctp Synthase Filament Bound to Substrates within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg603 b:54.0 occ:1.00 O31 A:5ZL602 1.9 57.9 1.0 O3B A:ADP601 2.0 60.2 1.0 P30 A:5ZL602 3.2 57.9 1.0 PB A:ADP601 3.3 60.2 1.0 O33 A:5ZL602 3.4 57.9 1.0 O1B A:ADP601 3.6 60.2 1.0 H A:SER21 3.8 50.6 1.0 HA A:SER21 4.0 50.6 1.0 O32 A:5ZL602 4.1 57.9 1.0 O2A A:ADP601 4.1 60.2 1.0 O2B A:ADP601 4.1 60.2 1.0 H4 A:5ZL602 4.2 57.9 1.0 OG A:SER21 4.2 50.6 1.0 HB2 A:SER20 4.2 47.4 1.0 O12 A:5ZL602 4.3 57.9 1.0 HB3 A:HIS63 4.4 89.3 1.0 O3A A:ADP601 4.4 60.2 1.0 N A:SER21 4.5 50.6 1.0 ND1 A:HIS63 4.5 89.3 1.0 H5'1 A:ADP601 4.6 60.2 1.0 CA A:SER21 4.6 50.6 1.0 HG A:SER21 4.8 50.6 1.0 HA A:HIS63 4.8 89.3 1.0 PA A:ADP601 4.9 60.2 1.0 C28 A:5ZL602 4.9 57.9 1.0

Magnesium binding site 10 out of 24 in the M. Tuberculosis Ctp Synthase Filament Bound to Substrates


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 10 of M. Tuberculosis Ctp Synthase Filament Bound to Substrates within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg604 b:47.4 occ:1.00 O11 A:5ZL602 1.9 57.9 1.0 O18 A:5ZL602 2.3 57.9 1.0 O15 A:5ZL602 2.6 57.9 1.0 P01 A:5ZL602 3.3 57.9 1.0 P03 A:5ZL602 3.6 57.9 1.0 P02 A:5ZL602 3.7 57.9 1.0 HZ3 G:LYS199 3.7 44.9 1.0 HZ2 G:LYS199 3.7 44.9 1.0 O09 A:5ZL602 4.0 57.9 1.0 O10 A:5ZL602 4.0 57.9 1.0 HZ3 G:LYS235 4.0 43.9 1.0 NZ G:LYS199 4.1 44.9 1.0 HG A:SER20 4.2 47.4 1.0 O13 A:5ZL602 4.2 57.9 1.0 O07 A:5ZL602 4.3 57.9 1.0 O17 A:5ZL602 4.3 57.9 1.0 HZ1 G:LYS199 4.5 44.9 1.0 H6 A:5ZL602 4.5 57.9 1.0 O16 A:5ZL602 4.5 57.9 1.0 O A:GLN62 4.5 91.4 1.0 HE1 A:HIS63 4.6 89.3 1.0 HZ2 G:LYS235 4.7 43.9 1.0 NZ G:LYS235 4.7 43.9 1.0 HZ1 G:LYS235 4.7 43.9 1.0 O14 A:5ZL602 4.8 57.9 1.0 OG A:SER20 4.8 47.4 1.0 C25 A:5ZL602 4.9 57.9 1.0

E.M.Lynch, J.M.Kollman. M. Tuberculosis Ctp Synthase Filament Bound to Substrates To Be Published.