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ZN 800 x

Metal-MACiE entry for ZN 800 x

The enzyme binds two metal ion in a dinuclear site. It is active in presence of Zn2+, Co2+, Ni2+ and Cd2+. The metal ions are directly involved in the catalytic mechanism (substrate binding and activation, charge stabilization) (PMID15882050).


Metal in MACiE Physiological Metal Site Type
zinc divalent cation dinuclear

Resting State

nativeState of ZN 800 x
Download the coordinates file
Representative Structure
PDB code 1onw
MACiE Metal Type
(Identity)
zinc
(ZN800x)
PDB Metal Type (Identity) zinc
(ZN800_)
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 HIS 68 AHIS 68 A No monodentate NE2
Amino Acid Residue HIS 70 AHIS 70 A No monodentate NE2
Amino Acid Residue KCX 162 AKCX 162 A No monodentate OX2
Note: This species is a carboxylated lysine.
Amino Acid Residue ASP 285 AASP 285 A Yes monodentate OD1
Note: Asp285 is involved in proton relay.
Water HOH 92 - No monodentate O

Step 01

Metal Functions

Substrate Binding

Activator. Note: It activates both the substrates.

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

Increase Electrophilicity. Note: It increases the electrophilicity of the bond to be cleaved.

Structural Information


reagent of ZN 800 x
Download the coordinates file
Representative Structure
PDB code 1ybq
MACiE Metal Type
(Identity)
zinc
(ZN800x)
PDB Metal Type (Identity) zinc
(ZN3_)
Oxidation State 2
Coordination Geometry
(Number of ligands)
tetrahedral
(4)

First Coordination Sphere


Ligand Type Ligand (PDB) Ligand (MACiE) Catalytic Binding Mode Contacting Atoms
Amino Acid Residue HIS 68 BHIS 68 A No monodentate NE2
Amino Acid Residue HIS 70 BHIS 70 A No monodentate NE2
Amino Acid Residue LCX 162 B- No monodentate OX2
Note: This species is a carboxylated lysine.
Amino Acid Residue ASN 285 BASP 285 A Yes monodentate OD1
Note: Asp285 is involved in proton relay.




Right Arrow
MACiE Metal Type
(Identity)
zinc
(ZN800x)
Oxidation State 2
Coordination Geometry
(Number of ligands)
tetrahedral
(4)

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

Structural Information


MACiE Metal Type
(Identity)
zinc
(ZN800x)
Oxidation State 2
Coordination Geometry
(Number of ligands)
tetrahedral
(4)

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 ZN 800 x
Download the coordinates file
Representative Structure
PDB code 1onx
MACiE Metal Type
(Identity)
zinc
(ZN800x)
PDB Metal Type (Identity) zinc
(ZN501_)
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 HIS 68 BHIS 68 A No monodentate NE2
Amino Acid Residue HIS 70 BHIS 70 A No monodentate NE2
Amino Acid Residue LCX 162 B- No monodentate OX2
Note: This species is a carboxylated lysine.
Amino Acid Residue ASP 285 BASP 285 A Yes monodentate OD1
Note: Asp285 is involved in proton relay.
Reactive Species ASP 550 - No monodentate OD2


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