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ZN 801 x

Metal-MACiE entry for ZN 801 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 801 x
Download the coordinates file
Representative Structure
PDB code 1onw
MACiE Metal Type
(Identity)
zinc
(ZN801x)
PDB Metal Type (Identity) zinc
(ZN801_)
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 KCX 162 AKCX 162 A No monodentate OX1
Note: This species is a carboxylated lysine.
Amino Acid Residue HIS 201 AHIS 201 A No monodentate ND1
Amino Acid Residue HIS 230 AHIS 230 A No monodentate NE2
Water HOH 92 - No monodentate O

Step 01

Metal Functions

Substrate Binding

Activator. Note: It activates a water molecule.

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

Structural Information


reagent of ZN 801 x
Download the coordinates file
Representative Structure
PDB code 1ybq
MACiE Metal Type
(Identity)
zinc
(ZN801x)
PDB Metal Type (Identity) zinc
(ZN2_)
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 201 AHIS 201 A No monodentate ND1
Amino Acid Residue HIS 230 AHIS 230 A No monodentate NE2
Reactive Species BDH 5 - No monodentate O3
Note: This species is a l-beta-aspartylhistidine.
Water HOH 247 - No monodentate O




Right Arrow
MACiE Metal Type
(Identity)
zinc
(ZN801x)
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
(ZN801x)
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 801 x
Download the coordinates file
Representative Structure
PDB code 1onx
MACiE Metal Type
(Identity)
zinc
(ZN801x)
PDB Metal Type (Identity) zinc
(ZN502_)
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 LCX 162 B- No monodentate OX1
Note: This species is a carboxylated lysine.
Amino Acid Residue HIS 201 BHIS 201 A No monodentate ND1
Amino Acid Residue HIS 230 BHIS 230 A No monodentate NE2
Amino Acid Residue ASP 550 - No monodentate OD1


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