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ZN 1002 A

Metal-MACiE entry for ZN 1002 A

The enzyme requires divalent metal ions (e.g., Mg2+, Mn2+, or Co2+) for its activity. The metal ions are directly involved in the reaction mechanism (substrate binding and activation)


Metal in MACiE Physiological Metal Site Type
zinc divalent cation mononuclear

Resting State

nativeState of ZN 1002 A
Download the coordinates file
Representative Structure
PDB code 1yt3
MACiE Metal Type
(Identity)
zinc
(ZN1002A)
PDB Metal Type (Identity) zinc
(ZN1002A)
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 28 AASP 28 A No monodentate OD1
Amino Acid Residue ASP 85 AASP 85 A No bidentate OD1,OD2
Water HOH 1180 A- No monodentate O
Water HOH 1181 A- No monodentate O
Water HOH 1188 A- No monodentate O

Step 01

Metal Functions

Substrate Binding. Note: It binds the substrate

Activator

Electrostatic Stabiliser

Increase Electrophilicity. Note: It increases the electrophilicity of the substrate

Structural Information


MACiE Metal Type
(Identity)
zinc
(ZN1002A)
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)
zinc
(ZN1002A)
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

Not Present. Note: Probably this ion leaves the active site bound to the product

Structural Information


MACiE Metal Type
(Identity)
zinc
(ZN1002A)
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)
zinc
(ZN1002A)
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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