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MG 5001 x

Metal-MACiE entry for MG 5001 x

The magnesium ions are directly involved in the catalytic mechanism (substrate binding and activation, charge stabilization) (PMID12077433).


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
(MG5001x)
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. Note: It activates ATP.

Increase Electrophilicity. Note: It increases the electrophilicity of ATP.

Electrostatic Stabiliser

Structural Information


MACiE Metal Type
(Identity)
magnesium
(MG5001x)
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 5001 x
Download the coordinates file
Representative Structure
PDB code 1kqp
MACiE Metal Type
(Identity)
magnesium
(MG5001x)
PDB Metal Type (Identity) magnesium
(MG5001_)
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 50 AASP 50 A No monodentate OD2
Amino Acid Residue GLU 162 AGLU 162 A No monodentate OE1
Reactive Species ADJ 3001 - No monodentate O1P
Reactive Species POP 4001 - No bidentate O2,O4
Water HOH 6037 - No monodentate O

Step 02

Metal Functions

Substrate Binding

Electrostatic Stabiliser

Structural Information


reagent of MG 5001 x
Download the coordinates file
Representative Structure
PDB code 1kqp
MACiE Metal Type
(Identity)
magnesium
(MG5001x)
PDB Metal Type (Identity) magnesium
(MG5001_)
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 50 AASP 50 A No monodentate OD2
Amino Acid Residue GLU 162 AGLU 162 A No monodentate OE1
Reactive Species ADJ 3001 - No monodentate O1P
Reactive Species POP 4001 - No bidentate O2,O4
Water HOH 6037 - No monodentate O




Right Arrow
MACiE Metal Type
(Identity)
magnesium
(MG5001x)
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

Electrostatic Stabiliser

Structural Information


MACiE Metal Type
(Identity)
magnesium
(MG5001x)
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 5001 x
Download the coordinates file
Representative Structure
PDB code 2nsy
MACiE Metal Type
(Identity)
magnesium
(MG5001x)
PDB Metal Type (Identity) magnesium
(MG304_)
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 50 AASP 50 A No monodentate OD2
Amino Acid Residue GLU 162 AGLU 162 A No monodentate OE2
Reactive Species A 300 - No monodentate O1P
Reactive Species POP 863 - No bidentate O1,O5
Water HOH 675 - No monodentate O


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