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MG 502 A

Metal-MACiE entry for MG 502 A

The magnesium ion is directly involved in the reaction mechanism (ATP binding and activation)


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
(MG502A)
Oxidation State 2
Coordination Geometry
(Number of ligands)
unknownGeometry
(6)

This step has no available structures in the PDB: all the coordinating information are derived from the reaction model in MACiE. Probably the resting state enzyme does not bind any metal. The magnesium ion binds the enzyme together with the ATP molecule.


Step 01

Metal Functions

Activator. Note: It activates ATP

Increase Electrophilicity. Note: It increases the electrophilicity of ATP

Substrate Binding

Electrostatic Stabiliser

Structural Information


reagent of MG 502 A
Download the coordinates file
Representative Structure
PDB code 1j09
MACiE Metal Type
(Identity)
magnesium
(MG502A)
PDB Metal Type (Identity) magnesium
(MG502A)
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 ATP 501 A- No tridentate O1G,O1B,O1A
Water HOH 1395 A- No monodentate O
Water HOH 1396 A- No monodentate O
Water HOH 1397 A- No monodentate O




Right Arrow
MACiE Metal Type
(Identity)
magnesium
(MG502A)
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

Not Present. Note: Probably the magnesium ion leaves the active site bound to the pyrophosphate

Structural Information


MACiE Metal Type
(Identity)
magnesium
(MG502A)
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
(MG502A)
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 03

Metal Functions

Not Present. Note: Probably the magnesium ion leaves the active site bound to the pyrophosphate

Structural Information


MACiE Metal Type
(Identity)
magnesium
(MG502A)
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
(MG502A)
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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