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MG 702 B

Metal-MACiE entry for MG 702 B

Magnesium ions directly partecipate to the reaction mechanism (substrate binding and activation and electrostatic stabilization)


Metal in MACiE Physiological Metal Site Type
magnesium magnesium trinuclear

Resting State

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

MACiE Metal Type
(Identity)
magnesium
(MG702B)
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

Substrate Binding

Activator

Promotes Heterolytic Reactions. Note: It promote heterolysis by polarizing the C-O bond

Electrostatic Stabiliser

Structural Information


MACiE Metal Type
(Identity)
magnesium
(MG702B)
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
(MG702B)
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

Structural Information


MACiE Metal Type
(Identity)
magnesium
(MG702B)
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
(MG702B)
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 03

Metal Functions

Substrate Binding

Activator

Promotes Heterolytic Reactions. Note: It promote heterolysis by polarizing the C-O bond

Electrostatic Stabiliser

Structural Information


MACiE Metal Type
(Identity)
magnesium
(MG702B)
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
(MG702B)
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
(MG702B)
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 702 B
Download the coordinates file
Representative Structure
PDB code 1yyr
MACiE Metal Type
(Identity)
magnesium
(MG702B)
PDB Metal Type (Identity) magnesium
(MG702B)
Oxidation State 2
Coordination Geometry
(Number of ligands)
octahedral
(6)

The coordination of Mg2+ is likely to be octahedral although only five ligands are present in the PDB structure


First Coordination Sphere

Ligand Type Ligand (PDB) Ligand (MACiE) Catalytic Binding Mode Contacting Atoms
Amino Acid Residue ASP 100 BASP 100 B Yes monodentate OD1
Note: It is an electrostatic stabilizer
Reactive Species POP 700 B- No bidentate O2,O5
Water HOH 820 B- No monodentate O
Water HOH 822 B- No monodentate O

Step 05

Metal Functions

Substrate Binding

Electrostatic Stabiliser

Structural Information


reagent of MG 702 B
Download the coordinates file
Representative Structure
PDB code 1yyr
MACiE Metal Type
(Identity)
magnesium
(MG702B)
PDB Metal Type (Identity) magnesium
(MG702B)
Oxidation State 2
Coordination Geometry
(Number of ligands)
octahedral
(6)

The coordination of Mg2+ is likely to be octahedral although only five ligands are present in the PDB structure


First Coordination Sphere


Ligand Type Ligand (PDB) Ligand (MACiE) Catalytic Binding Mode Contacting Atoms
Amino Acid Residue ASP 100 BASP 100 B Yes monodentate OD1
Note: Asp100 is involved in electrostatic stabilization
Reactive Species POP 700 B- No bidentate O2,O5
Water HOH 820 B- No monodentate O
Water HOH 822 B- No monodentate O




Right Arrow
MACiE Metal Type
(Identity)
magnesium
(MG702B)
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 06

Metal Functions

Substrate Binding

Electrostatic Stabiliser

Structural Information


MACiE Metal Type
(Identity)
magnesium
(MG702B)
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 702 B
Download the coordinates file
Representative Structure
PDB code 1yyq
MACiE Metal Type
(Identity)
magnesium
(MG702B)
PDB Metal Type (Identity) magnesium
(MG702B)
Oxidation State 2
Coordination Geometry
(Number of ligands)
octahedral
(6)

First Coordination Sphere

Ligand Type Ligand (PDB) Ligand (MACiE) Catalytic Binding Mode Contacting Atoms
Amino Acid Residue ASP 100 BASP 100 B Yes monodentate OD1
Note: Asp100 is involved in electrostatic stabilization
Reactive Species POP 700 B- No bidentate O2,O5
Water HOH 803 B- No monodentate O
Water HOH 804 B- No monodentate O
Water HOH 805 B- No monodentate O


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