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FE2 427 L

Metal-MACiE entry for FE2 427 L

This iron is part of the dinuclear site (PMID10368269) that belong to H cluster. The H cluster is the catalytic site and is formed by the dinuclear iron site and a cubane (a Fe4S4 cluster) bridged via a Cys residue. The iron ions in the dinuclear site are called proximal and distal depending on their distance from the cubane. This is the distal iron (PMID10368269).


Metal in MACiE Physiological Metal Site Type
iron iron dinuclear

Resting State

nativeState of FE2 427 L
Download the coordinates file
Representative Structure
PDB code 1hfe
MACiE Metal Type
(Identity)
iron
(FE2427L)
PDB Metal Type (Identity) iron
(FE427L)
Oxidation State 1
Coordination Geometry
(Number of ligands)
squarePyramidal
(5)

With the exception of bridging Cys, the diiron subcluster is coordinated by nonĀ­protein ligands.


First Coordination Sphere

Ligand Type Ligand (PDB) Ligand (MACiE) Catalytic Binding Mode Contacting Atoms
Cofactor CYN 428 LCYN 428 L No monodentate C
Note: It is a cyanide ion.
Cofactor PDT 425 LPDT 425 L No bidentate S1,S2
Note: It is a 1,3-propanedithiol molecule.
Cofactor CMO 431 LCMO 431 L No monodentate C
Note: It is a carbon monoxide.
Water HOH 402 - No monodentate O

Step 01

Metal Functions

Substrate Binding

One Electron Donor. Note: The electron is provided to the substrate (a proton).

Structural Information


MACiE Metal Type
(Identity)
iron
(FE2427L)
Oxidation State 1
Coordination Geometry
(Number of ligands)
squarePyramidal
(5)

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
(FE2427L)
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

This metal is not active in this step.

Structural Information


MACiE Metal Type
(Identity)
iron
(FE2427L)
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)
iron
(FE2427L)
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 03

Metal Functions

Substrate Binding

Structural Information


MACiE Metal Type
(Identity)
iron
(FE2427L)
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)
iron
(FE2427L)
Oxidation State 2
Coordination Geometry
(Number of ligands)
squarePyramidal
(5)

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

Substrate Binding

Structural Information


MACiE Metal Type
(Identity)
iron
(FE2427L)
Oxidation State 2
Coordination Geometry
(Number of ligands)
squarePyramidal
(5)

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
(FE2427L)
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 05

Metal Functions

Substrate Binding

Structural Information


MACiE Metal Type
(Identity)
iron
(FE2427L)
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)
iron
(FE2427L)
Oxidation State 2
Coordination Geometry
(Number of ligands)
cappedOctahedron
(7)

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

Substrate Binding

One Electron Acceptor. Note: The electron is provided by an iron-sulfur cluster (FS4_423).

Structural Information


MACiE Metal Type
(Identity)
iron
(FE2427L)
Oxidation State 2
Coordination Geometry
(Number of ligands)
cappedOctahedron
(7)

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
(FE2427L)
Oxidation State 1
Coordination Geometry
(Number of ligands)
squarePyramidal
(5)

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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