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MG 451 A

Metal-MACiE entry for MG 451 A

The metal ion is directly involved in the reaction mechanism (substrate binding and activation and electrostatic stabilization)


Metal in MACiE Physiological Metal Site Type
magnesium magnesium mononuclear

Resting State

nativeState of MG 451 A
Download the coordinates file
Representative Structure
PDB code 1f61
MACiE Metal Type
(Identity)
magnesium
(MG451A)
PDB Metal Type (Identity) magnesium
(MG451A)
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 108 AASP 108 A No bidentate OD1,OD2
Amino Acid Residue GLU 155 AGLU 155 A No monodentate OE1
Water HOH 575 A- No monodentate O
Water HOH 690 A- No monodentate O
Water HOH 699 A- No monodentate O

Step 01

Metal Functions

Substrate Binding

Structural Information


reagent of MG 451 A
Download the coordinates file
Representative Structure
PDB code 1f8i
MACiE Metal Type
(Identity)
magnesium
(MG451A)
PDB Metal Type (Identity) magnesium
(MG451A)
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 153 AASP 153 A No monodentate OD2
Reactive Species GLV 461 A- No bidentate O1,O2
Water HOH 1001 A- No monodentate O
Water HOH 1002 A- No monodentate O
Water HOH 1003 A- No monodentate O




Right Arrow
MACiE Metal Type
(Identity)
magnesium
(MG451A)
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

Activator

Increase Electrophilicity

Electrostatic Stabiliser

Structural Information


MACiE Metal Type
(Identity)
magnesium
(MG451A)
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
(MG451A)
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
(MG451A)
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
(MG451A)
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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