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MG 702 A

Metal-MACiE entry for MG 702 A

The three magnesium ions are directly involved in the reaction mechanism (substrate binding, substrate activation and electrostatic stabilization of intermediates)


Metal in MACiE Physiological Metal Site Type
magnesium magnesium trinuclear

Resting State

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

MACiE Metal Type
(Identity)
magnesium
(MG702A)
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. This magnesium ion does not bind the resting state enzyme (PMID12432096)


Step 01

Metal Functions

Substrate Binding

Promotes Heterolytic Reactions

Electrostatic Stabiliser

Structural Information


reagent of MG 702 A
Download the coordinates file
Representative Structure
PDB code 1n20
MACiE Metal Type
(Identity)
magnesium
(MG702A)
PDB Metal Type (Identity) magnesium
(MG702A)
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 351 AASP 351 A No monodentate OD2
Amino Acid Residue ASP 355 AASP 355 A No monodentate OD2
Reactive Species 3AG 900 A- No bidentate O1,O5
Note: It is a substrate analogue
Water HOH 975 A- No monodentate O
Water HOH 976 A- No monodentate O




Right Arrow
MACiE Metal Type
(Identity)
magnesium
(MG702A)
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

Electrostatic Stabiliser

Structural Information


MACiE Metal Type
(Identity)
magnesium
(MG702A)
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
(MG702A)
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

Activator

Substrate Binding

Promotes Heterolytic Reactions

Electrostatic Stabiliser

Structural Information


MACiE Metal Type
(Identity)
magnesium
(MG702A)
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
(MG702A)
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 04

Metal Functions

Substrate Binding

Electrostatic Stabiliser

Structural Information


MACiE Metal Type
(Identity)
magnesium
(MG702A)
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 702 A
Download the coordinates file
Representative Structure
PDB code 1n22
MACiE Metal Type
(Identity)
magnesium
(MG702A)
PDB Metal Type (Identity) magnesium
(MG702A)
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 351 AASP 351 A No monodentate OD2
Amino Acid Residue ASP 355 AASP 355 A No monodentate OD2
Reactive Species POP 901 A- No bidentate O1,O5
Note: It a pyrophosphate molecule
Water HOH 957 A- No monodentate O
Water HOH 958 A- No monodentate O

Step 05

Metal Functions

Substrate Binding

Electrostatic Stabiliser

Structural Information


reagent of MG 702 A
Download the coordinates file
Representative Structure
PDB code 1n22
MACiE Metal Type
(Identity)
magnesium
(MG702A)
PDB Metal Type (Identity) magnesium
(MG702A)
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 351 AASP 351 A No monodentate OD2
Amino Acid Residue ASP 355 AASP 355 A No monodentate OD2
Reactive Species POP 901 A- No bidentate O1,O5
Note: It is a pyrophosphate molecule
Water HOH 957 A- No monodentate O
Water HOH 958 A- No monodentate O




Right Arrow
product of MG 702 A
Download the coordinates file
Representative Structure
PDB code 1n23
MACiE Metal Type
(Identity)
magnesium
(MG702A)
PDB Metal Type (Identity) magnesium
(MG705B)
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 351 BASP 351 A No monodentate OD2
Amino Acid Residue ASP 355 BASP 355 A No monodentate OD2
Reactive Species POP 902 B- No bidentate O1,O5
Note: It is a pyrophosphate molecule
Water HOH 971 B- No monodentate O
Water HOH 972 B- No monodentate O

Step 06

Metal Functions

Substrate Binding

Electrostatic Stabiliser

Structural Information


reagent of MG 702 A
Download the coordinates file
Representative Structure
PDB code 1n23
MACiE Metal Type
(Identity)
magnesium
(MG702A)
PDB Metal Type (Identity) magnesium
(MG705B)
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 351 BASP 351 A No monodentate OD2
Amino Acid Residue ASP 355 BASP 355 A No monodentate OD2
Reactive Species POP 902 B- No bidentate O1,O5
Note: It is a pyrophosphate molecule
Water HOH 971 B- No monodentate O
Water HOH 972 B- No monodentate O




Right Arrow
product of MG 702 A
Download the coordinates file
Representative Structure
PDB code 1n24
MACiE Metal Type
(Identity)
magnesium
(MG702A)
PDB Metal Type (Identity) magnesium
(MG703A)
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 351 AASP 351 A No monodentate OD2
Amino Acid Residue ASP 355 AASP 355 A No monodentate OD2
Reactive Species BP2 801 A- No bidentate O1,O5
Note: It is a product analogue
Water HOH 881 A- No monodentate O
Water HOH 882 A- No monodentate O


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