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MN 201 A

Metal-MACiE entry for MN 201 A

The enzyme is more active in presence of Mn2+ than Mg2+. A metal-binding site is located within the active site. This metal ion plays a structural and catalytic role (PMID11285217).


Metal in MACiE Physiological Metal Site Type
manganese magnesium/manganese mononuclear

Resting State

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

MACiE Metal Type
(Identity)
manganese
(MN201A)
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

Activator. Note: It increases acidity of Glu116.

Structural Information


reagent of MN 201 A
Download the coordinates file
Representative Structure
PDB code 1ppw
MACiE Metal Type
(Identity)
manganese
(MN201A)
PDB Metal Type (Identity) manganese
(MN201A)
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 HIS 25 AHIS 25 A No monodentate NE2
Amino Acid Residue HIS 32 AHIS 32 A No monodentate NE2
Amino Acid Residue HIS 69 AHIS 69 A No monodentate NE2
Amino Acid Residue GLU 114 AGLU 114 A No bidentate OE1,OE2
Amino Acid Residue GLU 116 AGLU 116 A Yes monodentate OE2
Note: Glu116 is involved in proton relay and charge stabilization.




Right Arrow
product of MN 201 A
Download the coordinates file
Representative Structure
PDB code 1nfs
MACiE Metal Type
(Identity)
manganese
(MN201A)
PDB Metal Type (Identity) manganese
(MN201A)
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 HIS 25 AHIS 25 A No monodentate NE2
Amino Acid Residue HIS 32 AHIS 32 A No monodentate NE2
Amino Acid Residue HIS 69 AHIS 69 A No monodentate NE2
Amino Acid Residue GLU 114 AGLU 114 A No bidentate OE1,OE2
Amino Acid Residue GLU 116 AGLU 116 A Yes monodentate OE2
Note: Glu116 is involved in proton relay and charge stabilization.

Step 02

Metal Functions

Activator. Note: It increases acidity of Glu116.

Structural Information


reagent of MN 201 A
Download the coordinates file
Representative Structure
PDB code 1nfs
MACiE Metal Type
(Identity)
manganese
(MN201A)
PDB Metal Type (Identity) manganese
(MN201A)
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 HIS 25 AHIS 25 A No monodentate NE2
Amino Acid Residue HIS 32 AHIS 32 A No monodentate NE2
Amino Acid Residue HIS 69 AHIS 69 A No monodentate NE2
Amino Acid Residue GLU 114 AGLU 114 A No bidentate OE1,OE2
Amino Acid Residue GLU 116 AGLU 116 A Yes monodentate OE2
Note: Glu116 is involved in proton relay and charge stabilization.




Right Arrow
MACiE Metal Type
(Identity)
manganese
(MN201A)
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. Note: It increases acidity of Glu116.

Structural Information


MACiE Metal Type
(Identity)
manganese
(MN201A)
Oxidation State 2
Coordination Geometry
(Number of ligands)
octahedral
(6)

In this stage the coordination of the metal is the same as in the resting state.

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)
manganese
(MN201A)
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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