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MG 435 A

Metal-MACiE entry for MG 435 A

This is a Mg2+-dependent enzyme. The magnesium ion is directly involved in the reaction mechanism (substrate binding, charge stabilization) (PMID9182542)


Metal in MACiE Physiological Metal Site Type
magnesium magnesium mononuclear

Resting State

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

MACiE Metal Type
(Identity)
magnesium
(MG435A)
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

Electrostatic Stabiliser

Structural Information


MACiE Metal Type
(Identity)
magnesium
(MG435A)
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.





Right Arrow
MACiE Metal Type
(Identity)
magnesium
(MG435A)
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 02

Metal Functions

Substrate Binding

Electrostatic Stabiliser

Activator

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

Structural Information


MACiE Metal Type
(Identity)
magnesium
(MG435A)
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.





Right Arrow
product of MG 435 A
Download the coordinates file
Representative Structure
PDB code 1cg4
MACiE Metal Type
(Identity)
magnesium
(MG435A)
PDB Metal Type (Identity) magnesium
(MG435A)
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 13 AASP 13 A Yes monodentate OD1
Note: Asp13 is involved in charge stabilization.
Amino Acid Residue GLY 40 AGLY 40 A No monodentate O
Reactive Species IMO 440 - No monodentate O1
Reactive Species GDP 432 - No bidentate O2B,O2A
Water HOH 52 - No monodentate O

Step 03

Metal Functions

Substrate Binding

Activator

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

Structural Information


reagent of MG 435 A
Download the coordinates file
Representative Structure
PDB code 1cg4
MACiE Metal Type
(Identity)
magnesium
(MG435A)
PDB Metal Type (Identity) magnesium
(MG435A)
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 13 AASP 13 A Yes monodentate OD1
Note: Asp13 is involved in charge stabilization.
Amino Acid Residue GLY 40 AGLY 40 A No monodentate O
Reactive Species IMO 440 - No monodentate O1
Reactive Species GDP 432 - No bidentate O2B,O2A
Water HOH 52 - No monodentate O




Right Arrow
MACiE Metal Type
(Identity)
magnesium
(MG435A)
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 04

Metal Functions

Increase Acidity. Note: It increases the acidity of a water molecule

Activator

Structural Information


MACiE Metal Type
(Identity)
magnesium
(MG435A)
Oxidation State 2
Coordination Geometry
(Number of ligands)
unknownGeometry
(9999)

This is an inferred step.

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
(MG435A)
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.



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