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MG 1001 A

Metal-MACiE entry for MG 1001 A

Magnesium ions are directly involved in the reaction mechanism (substrate binding and activation)


Metal in MACiE Physiological Metal Site Type
unknown magnesium mononuclear

Resting State

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

MACiE Metal Type
(Identity)
unknown
(MG1001A)
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. Probably the resting state enzyme does not bind any metal. The magnesium ion binds the enzyme together with the substrate molecule.


Step 01

Metal Functions

Substrate Binding

Activator

Increase Electrophilicity

Electrostatic Stabiliser

Structural Information


MACiE Metal Type
(Identity)
unknown
(MG1001A)
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.





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product of MG 1001 A
Download the coordinates file
Representative Structure
PDB code 2uag
MACiE Metal Type
(Identity)
unknown
(MG1001A)
PDB Metal Type (Identity) magnesium
(MG1001A)
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 SER 116 ASER 116 A No monodentate OG
Amino Acid Residue GLU 157 AGLU 157 A No monodentate OE2
Reactive Species ADP 451 A- No monodentate O1B
Water HOH 1126 A- No monodentate O
Water HOH 1309 A- No monodentate O
Water HOH 1310 A- No monodentate O

Step 02

Metal Functions

Not Present. Note: Probably this magnesium ion leaves the active site bound to the ADP molecule

Structural Information


MACiE Metal Type
(Identity)
unknown
(MG1001A)
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)
unknown
(MG1001A)
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 this magnesium ion leaves the active site bound to the ADP molecule

Structural Information


MACiE Metal Type
(Identity)
unknown
(MG1001A)
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)
unknown
(MG1001A)
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

Not Present. Note: Probably this magnesium ion leaves the active site bound to the ADP molecule

Structural Information


MACiE Metal Type
(Identity)
unknown
(MG1001A)
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)
unknown
(MG1001A)
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 05

Metal Functions

Not Present. Note: Probably this magnesium ion leaves the active site bound to the ADP molecule

Structural Information


MACiE Metal Type
(Identity)
unknown
(MG1001A)
Oxidation State 2
Coordination Geometry
(Number of ligands)
unknownGeometry
(9999)

This step has been inferred

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)
unknown
(MG1001A)
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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