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FES 3907 x

Metal-MACiE entry for FES 3907 x

The enzyme uses two iron-sulfur Fe2S2 cluster which are involved in transferring electrons out of the buried molybdopterin cytosine dinucleotide to an FAD (PMID12475995). This Fe2S2 cluster is involved in tranferring electrons from the molybdopterin cytosine dinucleotide to the second Fe2S2 cluster (FES_3908) (PMID12475995).


Metal in MACiE Physiological Metal Site Type
iron iron Fe2S2

Resting State

nativeState of FES 3907 x
Download the coordinates file
Representative Structure
PDB code 1n5w
MACiE Metal Type
(Identity)
iron
(FES3907x)
PDB Metal Type (Identity) iron
(FE1,FE239070)
Oxidation State 2
Coordination Geometry
(Number of ligands)
tetrahedral
(4)

The coordination number and the geometry refer to each single iron in the iron-sulfur cluster whereas the oxidation state is the formal oxidation state of the whole cluster.

This step has no available structures in the PDB: all the coordinating information are derived from the reaction model in MACiE.


First Coordination Sphere

Ligand Type Ligand (PDB) Ligand (MACiE) Catalytic Binding Mode Contacting Atoms
Amino Acid Residue CYS 102 ACYS 102 A No monodentate SG
Note: It coordinates FE1
Amino Acid Residue CYS 139 ACYS 139 A No monodentate SG
Note: It coordinates FE1
Cofactor FES 3907 FES 3907 No monodentate S1
Note: It is a sulfur atom. It coordinates both FE1 and FE2
Cofactor FES 3907 FES 3907 No monodentate S2
Note: It is a sulfur atom. It coordinates both FE1 and FE2
Amino Acid Residue CYS 105 ACYS 105 A No monodentate SG
Note: It coordinates FE2
Amino Acid Residue CYS 137 ACYS 137 A No monodentate SG
Note: It coordinates FE2

Step 01

Metal Functions

This metal is not active in this step.

Structural Information


MACiE Metal Type
(Identity)
iron
(FES3907x)
Oxidation State 2
Coordination Geometry
(Number of ligands)
tetrahedral
(4)

The coordination number and the geometry refer to each single iron in the iron-sulfur cluster whereas the oxidation state is the formal oxidation state of the whole cluster.

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
(FES3907x)
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

This metal is not active in this step.

Structural Information


MACiE Metal Type
(Identity)
iron
(FES3907x)
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
(FES3907x)
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

This metal is not active in this step.

Structural Information


MACiE Metal Type
(Identity)
iron
(FES3907x)
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
(FES3907x)
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
(FES3907x)
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
(FES3907x)
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 05

Metal Functions

This metal is not active in this step.

Structural Information


MACiE Metal Type
(Identity)
iron
(FES3907x)
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
(FES3907x)
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 06

Metal Functions

One Electron Donor. Note: The electron is provided to the second iron-sulfur cluster (FES_3908).

Electron Relay

One Electron Acceptor. Note: The electron is provided by the molybdopterin cofactor.

Structural Information


MACiE Metal Type
(Identity)
iron
(FES3907x)
Oxidation State 2
Coordination Geometry
(Number of ligands)
tetrahedral
(4)

This is an inferred step. This iron-sulfur cluster is involved in relay the electron from the molybdopterin cofactor to the second iron-sulfur cluster (FES_3908).

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
(FES3907x)
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 07

Metal Functions

Electron Relay

One Electron Acceptor. Note: The electron is provided by the molybdopterin cofactor.

One Electron Donor. Note: The electron is provided to the second iron-sulfur cluster (FES_3908).

Structural Information


MACiE Metal Type
(Identity)
iron
(FES3907x)
Oxidation State 2
Coordination Geometry
(Number of ligands)
tetrahedral
(4)

This is an inferred step. This iron-sulfur cluster is involved in relay the electron from the molybdopterin cofactor to the second iron-sulfur cluster (FES_3908).

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
(FES3907x)
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 08

Metal Functions

This metal is not active in this step.

Structural Information


MACiE Metal Type
(Identity)
iron
(FES3907x)
Oxidation State 2
Coordination Geometry
(Number of ligands)
tetrahedral
(4)

This is an inferred step.

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
(FES3907x)
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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