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Magnesium in PDB 7dpt: Structural Basis For Ligand Binding Modes of Ctp Synthase

Enzymatic activity of Structural Basis For Ligand Binding Modes of Ctp Synthase

All present enzymatic activity of Structural Basis For Ligand Binding Modes of Ctp Synthase:
6.3.4.2;

Magnesium Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Magnesium atom in the Structural Basis For Ligand Binding Modes of Ctp Synthase (pdb code 7dpt). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 12 binding sites of Magnesium where determined in the Structural Basis For Ligand Binding Modes of Ctp Synthase, PDB code: 7dpt:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Magnesium binding site 1 out of 12 in 7dpt

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Magnesium binding site 1 out of 12 in the Structural Basis For Ligand Binding Modes of Ctp Synthase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structural Basis For Ligand Binding Modes of Ctp Synthase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg704

b:34.6
occ:1.00
 O3B A:GTP701 2.3 38.5 1.0
O2A A:GTP701 2.3 38.5 1.0
O2G A:GTP701 3.3 38.5 1.0
PB A:GTP701 3.4 38.5 1.0
O1B A:GTP701 3.4 38.5 1.0
PG A:GTP701 3.4 38.5 1.0
PA A:GTP701 3.6 38.5 1.0
O3A A:GTP701 3.9 38.5 1.0
O3G A:GTP701 4.2 38.5 1.0
N2 A:GTP701 4.2 38.5 1.0
C5' A:GTP701 4.5 38.5 1.0
O1G A:GTP701 4.5 38.5 1.0
O5' A:GTP701 4.5 38.5 1.0
O2B A:GTP701 4.7 38.5 1.0
O1A A:GTP701 4.7 38.5 1.0

Magnesium binding site 2 out of 12 in 7dpt

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Magnesium binding site 2 out of 12 in the Structural Basis For Ligand Binding Modes of Ctp Synthase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structural Basis For Ligand Binding Modes of Ctp Synthase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg705

b:24.5
occ:1.00
 O11 A:5ZL708 2.4 30.0 1.0
O15 A:5ZL708 2.5 30.0 1.0
O18 A:5ZL708 2.6 30.0 1.0
P02 A:5ZL708 3.7 30.0 1.0
P03 A:5ZL708 3.7 30.0 1.0
P01 A:5ZL708 3.7 30.0 1.0
O A:GLU54 3.8 33.8 1.0
NZ B:LYS228 3.8 31.6 1.0
O A:HOH812 4.0 25.9 1.0
O17 A:5ZL708 4.0 30.0 1.0
O13 A:5ZL708 4.1 30.0 1.0
O09 A:5ZL708 4.1 30.0 1.0
OE2 B:GLU190 4.4 32.2 1.0
NZ B:LYS192 4.5 27.9 1.0
O10 A:5ZL708 4.5 30.0 1.0
O07 A:5ZL708 4.5 30.0 1.0
O14 A:5ZL708 4.7 30.0 1.0
O16 A:5ZL708 4.8 30.0 1.0
OG A:SER12 4.8 27.4 1.0
C A:GLU54 4.9 33.8 1.0
CE B:LYS228 4.9 31.6 1.0
CE1 A:HIS55 5.0 30.7 1.0

Magnesium binding site 3 out of 12 in 7dpt

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Magnesium binding site 3 out of 12 in the Structural Basis For Ligand Binding Modes of Ctp Synthase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Structural Basis For Ligand Binding Modes of Ctp Synthase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg706

b:30.0
occ:1.00
 O31 A:5ZL708 2.1 30.0 1.0
O3B A:ADP703 2.4 30.9 1.0
P30 A:5ZL708 3.5 30.0 1.0
PB A:ADP703 3.8 30.9 1.0
O33 A:5ZL708 3.8 30.0 1.0
O2A A:ADP703 3.9 30.9 1.0
N A:GLY13 3.9 28.0 1.0
O A:HOH812 4.0 25.9 1.0
O B:HOH823 4.1 30.0 1.0
O32 A:5ZL708 4.2 30.0 1.0
O1B A:ADP703 4.2 30.9 1.0
CA A:GLY13 4.3 28.0 1.0
OD2 A:ASP68 4.4 33.6 1.0
O12 A:5ZL708 4.5 30.0 1.0
O3A A:ADP703 4.5 30.9 1.0
O A:HOH801 4.7 30.0 1.0
O2B A:ADP703 4.7 30.9 1.0
CB A:SER12 4.8 27.4 1.0
C A:SER12 4.8 27.4 1.0
PA A:ADP703 4.9 30.9 1.0
C28 A:5ZL708 4.9 30.0 1.0
O A:HIS55 5.0 30.7 1.0
OG A:SER12 5.0 27.4 1.0

Magnesium binding site 4 out of 12 in 7dpt

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Magnesium binding site 4 out of 12 in the Structural Basis For Ligand Binding Modes of Ctp Synthase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Structural Basis For Ligand Binding Modes of Ctp Synthase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg707

b:24.5
occ:1.00
 O11 B:5ZL706 2.4 30.0 1.0
O15 B:5ZL706 2.5 30.0 1.0
O18 B:5ZL706 2.6 30.0 1.0
P02 B:5ZL706 3.7 30.0 1.0
P03 B:5ZL706 3.7 30.0 1.0
P01 B:5ZL706 3.7 30.0 1.0
O B:GLU54 3.8 33.8 1.0
NZ A:LYS228 3.8 31.6 1.0
O B:HOH812 4.0 25.9 1.0
O17 B:5ZL706 4.0 30.0 1.0
O13 B:5ZL706 4.1 30.0 1.0
O09 B:5ZL706 4.1 30.0 1.0
OE2 A:GLU190 4.4 32.2 1.0
NZ A:LYS192 4.5 27.9 1.0
O10 B:5ZL706 4.5 30.0 1.0
O07 B:5ZL706 4.5 30.0 1.0
O14 B:5ZL706 4.7 30.0 1.0
O16 B:5ZL706 4.8 30.0 1.0
OG B:SER12 4.8 27.4 1.0
C B:GLU54 4.9 33.8 1.0
CE A:LYS228 4.9 31.6 1.0
CE1 B:HIS55 5.0 30.7 1.0

Magnesium binding site 5 out of 12 in 7dpt

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Magnesium binding site 5 out of 12 in the Structural Basis For Ligand Binding Modes of Ctp Synthase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Structural Basis For Ligand Binding Modes of Ctp Synthase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg704

b:34.6
occ:1.00
 O3B B:GTP701 2.3 38.5 1.0
O2A B:GTP701 2.3 38.5 1.0
O2G B:GTP701 3.3 38.5 1.0
PB B:GTP701 3.4 38.5 1.0
O1B B:GTP701 3.4 38.5 1.0
PG B:GTP701 3.4 38.5 1.0
PA B:GTP701 3.6 38.5 1.0
O3A B:GTP701 3.9 38.5 1.0
O3G B:GTP701 4.2 38.5 1.0
N2 B:GTP701 4.2 38.5 1.0
C5' B:GTP701 4.5 38.5 1.0
O1G B:GTP701 4.5 38.5 1.0
O5' B:GTP701 4.5 38.5 1.0
O2B B:GTP701 4.7 38.5 1.0
O1A B:GTP701 4.7 38.5 1.0

Magnesium binding site 6 out of 12 in 7dpt

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Magnesium binding site 6 out of 12 in the Structural Basis For Ligand Binding Modes of Ctp Synthase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Structural Basis For Ligand Binding Modes of Ctp Synthase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg705

b:30.0
occ:1.00
 O31 B:5ZL706 2.1 30.0 1.0
O3B B:ADP703 2.4 30.9 1.0
P30 B:5ZL706 3.5 30.0 1.0
PB B:ADP703 3.8 30.9 1.0
O33 B:5ZL706 3.8 30.0 1.0
O2A B:ADP703 3.9 30.9 1.0
N B:GLY13 3.9 28.0 1.0
O B:HOH812 4.0 25.9 1.0
O A:HOH823 4.1 30.0 1.0
O32 B:5ZL706 4.2 30.0 1.0
O1B B:ADP703 4.2 30.9 1.0
CA B:GLY13 4.3 28.0 1.0
OD2 B:ASP68 4.4 33.6 1.0
O12 B:5ZL706 4.5 30.0 1.0
O3A B:ADP703 4.5 30.9 1.0
O B:HOH801 4.7 30.0 1.0
O2B B:ADP703 4.7 30.9 1.0
CB B:SER12 4.8 27.4 1.0
C B:SER12 4.8 27.4 1.0
PA B:ADP703 4.9 30.9 1.0
C28 B:5ZL706 4.9 30.0 1.0
O B:HIS55 5.0 30.7 1.0
OG B:SER12 5.0 27.4 1.0

Magnesium binding site 7 out of 12 in 7dpt

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Magnesium binding site 7 out of 12 in the Structural Basis For Ligand Binding Modes of Ctp Synthase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Structural Basis For Ligand Binding Modes of Ctp Synthase within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg704

b:34.6
occ:1.00
 O3B C:GTP701 2.3 38.5 1.0
O2A C:GTP701 2.3 38.5 1.0
O2G C:GTP701 3.3 38.5 1.0
PB C:GTP701 3.4 38.5 1.0
O1B C:GTP701 3.4 38.5 1.0
PG C:GTP701 3.4 38.5 1.0
PA C:GTP701 3.6 38.5 1.0
O3A C:GTP701 3.9 38.5 1.0
O3G C:GTP701 4.2 38.5 1.0
N2 C:GTP701 4.2 38.5 1.0
C5' C:GTP701 4.5 38.5 1.0
O1G C:GTP701 4.5 38.5 1.0
O5' C:GTP701 4.5 38.5 1.0
O2B C:GTP701 4.7 38.5 1.0
O1A C:GTP701 4.7 38.5 1.0

Magnesium binding site 8 out of 12 in 7dpt

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Magnesium binding site 8 out of 12 in the Structural Basis For Ligand Binding Modes of Ctp Synthase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of Structural Basis For Ligand Binding Modes of Ctp Synthase within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg705

b:24.5
occ:1.00
 O11 C:5ZL708 2.4 30.0 1.0
O15 C:5ZL708 2.5 30.0 1.0
O18 C:5ZL708 2.6 30.0 1.0
P02 C:5ZL708 3.7 30.0 1.0
P03 C:5ZL708 3.7 30.0 1.0
P01 C:5ZL708 3.7 30.0 1.0
O C:GLU54 3.8 33.8 1.0
NZ D:LYS228 3.8 31.6 1.0
O C:HOH812 4.0 25.9 1.0
O17 C:5ZL708 4.0 30.0 1.0
O13 C:5ZL708 4.1 30.0 1.0
O09 C:5ZL708 4.1 30.0 1.0
OE2 D:GLU190 4.4 32.2 1.0
NZ D:LYS192 4.5 27.9 1.0
O10 C:5ZL708 4.5 30.0 1.0
O07 C:5ZL708 4.5 30.0 1.0
O14 C:5ZL708 4.7 30.0 1.0
O16 C:5ZL708 4.8 30.0 1.0
OG C:SER12 4.8 27.4 1.0
C C:GLU54 4.9 33.8 1.0
CE D:LYS228 4.9 31.6 1.0
CE1 C:HIS55 5.0 30.7 1.0

Magnesium binding site 9 out of 12 in 7dpt

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Magnesium binding site 9 out of 12 in the Structural Basis For Ligand Binding Modes of Ctp Synthase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 9 of Structural Basis For Ligand Binding Modes of Ctp Synthase within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg706

b:30.0
occ:1.00
 O31 C:5ZL708 2.1 30.0 1.0
O1B C:ADP703 2.4 30.9 1.0
P30 C:5ZL708 3.5 30.0 1.0
PB C:ADP703 3.8 30.9 1.0
O33 C:5ZL708 3.8 30.0 1.0
O1A C:ADP703 3.9 30.9 1.0
N C:GLY13 3.9 28.0 1.0
O C:HOH812 4.0 25.9 1.0
O D:HOH823 4.1 30.0 1.0
O32 C:5ZL708 4.2 30.0 1.0
O3B C:ADP703 4.2 30.9 1.0
CA C:GLY13 4.3 28.0 1.0
OD2 C:ASP68 4.4 33.6 1.0
O12 C:5ZL708 4.5 30.0 1.0
O3A C:ADP703 4.5 30.9 1.0
O C:HOH801 4.7 30.0 1.0
O2B C:ADP703 4.7 30.9 1.0
CB C:SER12 4.8 27.4 1.0
C C:SER12 4.8 27.4 1.0
PA C:ADP703 4.9 30.9 1.0
C28 C:5ZL708 4.9 30.0 1.0
O C:HIS55 5.0 30.7 1.0
OG C:SER12 5.0 27.4 1.0

Magnesium binding site 10 out of 12 in 7dpt

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Magnesium binding site 10 out of 12 in the Structural Basis For Ligand Binding Modes of Ctp Synthase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 10 of Structural Basis For Ligand Binding Modes of Ctp Synthase within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg707

b:24.5
occ:1.00
 O11 D:5ZL706 2.4 30.0 1.0
O15 D:5ZL706 2.5 30.0 1.0
O18 D:5ZL706 2.6 30.0 1.0
P02 D:5ZL706 3.7 30.0 1.0
P03 D:5ZL706 3.7 30.0 1.0
P01 D:5ZL706 3.7 30.0 1.0
O D:GLU54 3.8 33.8 1.0
NZ C:LYS228 3.8 31.6 1.0
O D:HOH812 4.0 25.9 1.0
O17 D:5ZL706 4.0 30.0 1.0
O13 D:5ZL706 4.1 30.0 1.0
O09 D:5ZL706 4.1 30.0 1.0
OE2 C:GLU190 4.4 32.2 1.0
NZ C:LYS192 4.5 27.9 1.0
O10 D:5ZL706 4.5 30.0 1.0
O07 D:5ZL706 4.5 30.0 1.0
O14 D:5ZL706 4.7 30.0 1.0
O16 D:5ZL706 4.8 30.0 1.0
OG D:SER12 4.8 27.4 1.0
C D:GLU54 4.9 33.8 1.0
CE C:LYS228 4.9 31.6 1.0
CE1 D:HIS55 5.0 30.7 1.0

Reference:

X.Zhou, C.J.Guo, C.C.Chang, J.Zhong, H.H.Hu, G.M.Lu, J.L.Liu. Structural Basis For Ligand Binding Modes of Ctp Synthase. Proc.Natl.Acad.Sci.Usa V. 118 2021.
ISSN: ESSN 1091-6490
PubMed: 34301892
DOI: 10.1073/PNAS.2026621118
Page generated: Wed Oct 2 15:58:44 2024

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