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FES 3002 A

Metal-MACiE entry for FES 3002 A

After the catalytic reaction the molybdenum center is reduced. The enzyme is then reoxidized by NAD+ or molecular oxygen in a reaction that occurs at the FAD (after electron transfer from the molybdenum center via the iron-sulfur centers) (PMID15148401). This FeS is near to FAD.


Metal in MACiE Physiological Metal Site Type
iron iron Fe2S2

Resting State

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

MACiE Metal Type
(Identity)
iron
(FES3002A)
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 01

Metal Functions

This metal is not active in this step.

Structural Information


MACiE Metal Type
(Identity)
iron
(FES3002A)
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.





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product of FES 3002 A
Download the coordinates file
Representative Structure
PDB code 1v97
MACiE Metal Type
(Identity)
iron
(FES3002A)
PDB Metal Type (Identity) iron
(FE1,FE23002A)
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 CYS 43 ACYS 43 A No monodentate SG
Note: It coordinates FE2
Amino Acid Residue CYS 48 ACYS 48 A No monodentate SG
Note: It coordinates FE2
Amino Acid Residue CYS 51 ACYS 51 A No monodentate SG
Note: It coordinates FE1
Amino Acid Residue CYS 73 ACYS 73 A No monodentate SG
Note: It coordinates FE1
Cofactor FES 3002 A- No monodentate S1
Cofactor FES 3002 A- No monodentate S2

Step 02

Metal Functions

Electron Relay

One Electron Acceptor. Note: The electron is provided by an iron-sulfur cluster (FES_3001).

One Electron Donor. Note: The electron is provided to FAD.

Structural Information


MACiE Metal Type
(Identity)
iron
(FES3002A)
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
MACiE Metal Type
(Identity)
iron
(FES3002A)
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 03

Metal Functions

Electron Relay

One Electron Acceptor. Note: The electron is provided by an iron-sulfur cluster (FES_3001).

One Electron Donor. Note: The electron is provided to FAD.

Structural Information


MACiE Metal Type
(Identity)
iron
(FES3002A)
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
MACiE Metal Type
(Identity)
iron
(FES3002A)
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 04

Metal Functions

This metal is not active in this step.

Structural Information


MACiE Metal Type
(Identity)
iron
(FES3002A)
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
MACiE Metal Type
(Identity)
iron
(FES3002A)
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.



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