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MG 902 x

Metal-MACiE entry for MG 902 x

The enzyme uses a divalent metal ion (usually Mg2+) to perform the reaction. Mg2+ is directly involved in the reaction mechanism (substrate binding, charge stabilization) (PMID9125495).


Metal in MACiE Physiological Metal Site Type
magnesium divalent cation mononuclear

Resting State

There is no PDB code associated with this metal atom in the enzyme's resiting state.

MACiE Metal Type
(Identity)
magnesium
(MG902x)
Oxidation State 2
Coordination Geometry
(Number of ligands)
unknownGeometry
(9999)

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


Step 01

Metal Functions

Electrostatic Stabiliser

Substrate Binding

Structural Information


MACiE Metal Type
(Identity)
magnesium
(MG902x)
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
(MG902x)
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 02

Metal Functions

Substrate Binding

Electrostatic Stabiliser

Increase Electrophilicity. Note: It increases electrophilicity of substrate polarizing the P-O bond

Activator

Structural Information


MACiE Metal Type
(Identity)
magnesium
(MG902x)
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 902 x
Download the coordinates file
Representative Structure
PDB code 1dak
MACiE Metal Type
(Identity)
magnesium
(MG902x)
PDB Metal Type (Identity) magnesium
(MG902_)
Oxidation State 2
Coordination Geometry
(Number of ligands)
octahedral
(6)

First Coordination Sphere

Ligand Type Ligand (PDB) Ligand (MACiE) Catalytic Binding Mode Contacting Atoms
Reactive Species DPP 801 - No monodentate O3B
Reactive Species ADP 802 - No monodentate O2B
Water HOH 429 - No monodentate O
Water HOH 444 - No monodentate O
Water HOH 559 - No monodentate O
Water HOH 754 - No monodentate O

Step 03

Metal Functions

Substrate Binding

Electrostatic Stabiliser

Structural Information


reagent of MG 902 x
Download the coordinates file
Representative Structure
PDB code 1dak
MACiE Metal Type
(Identity)
magnesium
(MG902x)
PDB Metal Type (Identity) magnesium
(MG902_)
Oxidation State 2
Coordination Geometry
(Number of ligands)
octahedral
(6)

First Coordination Sphere


Ligand Type Ligand (PDB) Ligand (MACiE) Catalytic Binding Mode Contacting Atoms
Reactive Species DPP 801 - No monodentate O3B
Reactive Species ADP 802 - No monodentate O2B
Water HOH 429 - No monodentate O
Water HOH 444 - No monodentate O
Water HOH 559 - No monodentate O
Water HOH 754 - No monodentate O




Right Arrow
MACiE Metal Type
(Identity)
magnesium
(MG902x)
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
(MG902x)
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 902 x
Download the coordinates file
Representative Structure
PDB code 1dam
MACiE Metal Type
(Identity)
magnesium
(MG902x)
PDB Metal Type (Identity) magnesium
(MG902A)
Oxidation State 2
Coordination Geometry
(Number of ligands)
octahedral
(6)

First Coordination Sphere

Ligand Type Ligand (PDB) Ligand (MACiE) Catalytic Binding Mode Contacting Atoms
Reactive Species ADP 801 A- No monodentate O3B
Reactive Species IPS 802 A- No monodentate O3
Water HOH 444 - No monodentate O
Water HOH 448 - No monodentate O
Water HOH 749 - No monodentate O
Water HOH 750 - No monodentate O


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