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ZN 402 A

Metal-MACiE entry for ZN 402 A

The enzyme binds zinc in a dinuclear site. Zinc ions are directly involved in catalysis (substrate binding and activation) (PMID12144777).


Metal in MACiE Physiological Metal Site Type
zinc zinc dinuclear

Resting State

nativeState of ZN 402 A
Download the coordinates file
Representative Structure
PDB code 1itq
MACiE Metal Type
(Identity)
zinc
(ZN402A)
PDB Metal Type (Identity) zinc
(ZN402A)
Oxidation State 2
Coordination Geometry
(Number of ligands)
trigonalBipyramidal
(5)

First Coordination Sphere

Ligand Type Ligand (PDB) Ligand (MACiE) Catalytic Binding Mode Contacting Atoms
Amino Acid Residue GLU 125 AGLU 125 A No monodentate OE2
Amino Acid Residue HIS 198 AHIS 198 A No monodentate NE2
Amino Acid Residue HIS 219 AHIS 219 A No monodentate NE2
Water HOH 422 - No monodentate O
Water HOH 423 - No monodentate O

Step 01

Metal Functions

Substrate Binding

Activator. Note: It activates a water molecule.

Increase Acidity. Note: It increases nucleophilicity of a water molecule.

Structural Information


reagent of ZN 402 A
Download the coordinates file
Representative Structure
PDB code 1itu
MACiE Metal Type
(Identity)
zinc
(ZN402A)
PDB Metal Type (Identity) zinc
(ZN412B)
Oxidation State 2
Coordination Geometry
(Number of ligands)
squarePyramidal
(5)

First Coordination Sphere


Ligand Type Ligand (PDB) Ligand (MACiE) Catalytic Binding Mode Contacting Atoms
Amino Acid Residue GLU 125 BGLU 125 A No monodentate OE2
Amino Acid Residue HIS 198 BHIS 198 A No monodentate NE2
Amino Acid Residue HIS 219 BHIS 219 A No monodentate NE2
Reactive Species CIL 452 - No monodentate O13
Note: It is a substrate-analogue inhibitor.
Water HOH 422 - No monodentate O




Right Arrow
product of ZN 402 A
Download the coordinates file
Representative Structure
PDB code 1itu
MACiE Metal Type
(Identity)
zinc
(ZN402A)
PDB Metal Type (Identity) zinc
(ZN412B)
Oxidation State 2
Coordination Geometry
(Number of ligands)
squarePyramidal
(5)

In this stage the coordination of the metal is the same as in the reagent status.


First Coordination Sphere

Ligand Type Ligand (PDB) Ligand (MACiE) Catalytic Binding Mode Contacting Atoms
Amino Acid Residue GLU 125 BGLU 125 A No monodentate OE2
Amino Acid Residue HIS 198 BHIS 198 A No monodentate NE2
Amino Acid Residue HIS 219 BHIS 219 A No monodentate NE2
Reactive Species CIL 452 - No monodentate O13
Note: It is a substrate-analogue inhibitor.
Water HOH 422 - No monodentate O

Step 02

Metal Functions

Substrate Binding

Increase Nucleophilicity. Note: It increases nucleophilicity of a water molecule.

Activator

Structural Information


MACiE Metal Type
(Identity)
zinc
(ZN402A)
Oxidation State 2
Coordination Geometry
(Number of ligands)
squarePyramidal
(5)

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)
zinc
(ZN402A)
Oxidation State 2
Coordination Geometry
(Number of ligands)
squarePyramidal
(5)

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

Structural Information


MACiE Metal Type
(Identity)
zinc
(ZN402A)
Oxidation State 2
Coordination Geometry
(Number of ligands)
squarePyramidal
(5)

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)
zinc
(ZN402A)
Oxidation State 2
Coordination Geometry
(Number of ligands)
squarePyramidal
(5)

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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