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MG 2800 _

Metal-MACiE entry for MG 2800 _

Magnesium ion is directly involved in the catalytic mechanism (substrate binding and activation and electrostatic stabilization) (PMID12081483).


Metal in MACiE Physiological Metal Site Type
magnesium magnesium mononuclear

Resting State

nativeState of MG 2800 _
Download the coordinates file
Representative Structure
PDB code 1zol
MACiE Metal Type
(Identity)
magnesium
(MG2800_)
PDB Metal Type (Identity) magnesium
(MG801_)
Oxidation State 2
Coordination Geometry
(Number of ligands)
octahedral
(6)

First Coordination Sphere

Ligand Type Ligand (PDB) Ligand (MACiE) Catalytic Binding Mode Contacting Atoms
Water HOH 3 - No monodentate O
Water HOH 2 - No monodentate O
Water HOH 1 - No monodentate O
Amino Acid Residue ASP 170 AASP 1170 A No monodentate OD1
Amino Acid Residue ASP 10 AASP 1010 A Yes monodentate O
Amino Acid Residue ASP 8 AASP 1008 A Yes monodentate OD1

Step 01

Metal Functions

Increase Electrophilicity. Note: It polarizes the P-O bond

Activator. Note:

Cofactor Binding

Structural Information


MACiE Metal Type
(Identity)
magnesium
(MG2800_)
Oxidation State 2
Coordination Geometry
(Number of ligands)
octahedral
(6)

This step has no available structures in the PDB: all the coordinating information are derived from the reaction model in MACiE.





Right Arrow
MACiE Metal Type
(Identity)
magnesium
(MG2800_)
Oxidation State 2
Coordination Geometry
(Number of ligands)
octahedral
(8)

This step has no available structures in the PDB: all the coordinating information are derived from the reaction model in MACiE.


Step 02

Metal Functions

Electrostatic Stabiliser

Substrate Binding

Structural Information


MACiE Metal Type
(Identity)
magnesium
(MG2800_)
Oxidation State 2
Coordination Geometry
(Number of ligands)
octahedral
(6)

This step has no available structures in the PDB: all the coordinating information are derived from the reaction model in MACiE.





Right Arrow
product of MG 2800 _
Download the coordinates file
Representative Structure
PDB code 1o03
MACiE Metal Type
(Identity)
magnesium
(MG2800_)
PDB Metal Type (Identity) magnesium
(MG800_)
Oxidation State 2
Coordination Geometry
(Number of ligands)
octahedral
(6)

First Coordination Sphere

Ligand Type Ligand (PDB) Ligand (MACiE) Catalytic Binding Mode Contacting Atoms
Water HOH 128 - No monodentate O
Water HOH 29 - No monodentate O
Reactive Species G16 501 - No monodentate O2X
Amino Acid Residue ASP 170 AASP 1170 A No monodentate OD1
Amino Acid Residue ASP 10 AASP 1010 A Yes monodentate O
Amino Acid Residue ASP 8 AASP 1008 A Yes monodentate OD1

Step 03

Metal Functions

Substrate Binding

Activator. Note: It activates the intermediate.

Increase Electrophilicity. Note: It polarizes the P-O bond.

Electrostatic Stabiliser

Structural Information


reagent of MG 2800 _
Download the coordinates file
Representative Structure
PDB code 1o03
MACiE Metal Type
(Identity)
magnesium
(MG2800_)
PDB Metal Type (Identity) magnesium
(MG800_)
Oxidation State 2
Coordination Geometry
(Number of ligands)
octahedral
(6)

First Coordination Sphere


Ligand Type Ligand (PDB) Ligand (MACiE) Catalytic Binding Mode Contacting Atoms
Water HOH 128 - No monodentate O
Water HOH 29 - No monodentate O
Reactive Species G16 501 - No monodentate O2X
Amino Acid Residue ASP 170 AASP 1170 A No monodentate OD1
Amino Acid Residue ASP 10 AASP 1010 A Yes monodentate O
Amino Acid Residue ASP 8 AASP 1008 A Yes monodentate OD1




Right Arrow
MACiE Metal Type
(Identity)
magnesium
(MG2800_)
Oxidation State 2
Coordination Geometry
(Number of ligands)
octahedral
(6)

This step has no available structures in the PDB: all the coordinating information are derived from the reaction model in MACiE.


Step 04

Metal Functions

Substrate Binding

Electrostatic Stabiliser

Structural Information


MACiE Metal Type
(Identity)
magnesium
(MG2800_)
Oxidation State 2
Coordination Geometry
(Number of ligands)
octahedral
(6)

This step has no available structures in the PDB: all the coordinating information are derived from the reaction model in MACiE.





Right Arrow
MACiE Metal Type
(Identity)
magnesium
(MG2800_)
Oxidation State 2
Coordination Geometry
(Number of ligands)
octahedral
(6)

This step has no available structures in the PDB: all the coordinating information are derived from the reaction model in MACiE.



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