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HEM 560 A

Metal-MACiE entry for HEM 560 A

The enzyme uses an FMN and a b2 heme to perform the catalysis. Substrate dehydrogenation occurs at the FMN, which is then reoxidized by stepwise transfer of electrons, via the b2 heme, to cytochrome c (PMID15260495).


Metal in MACiE Physiological Metal Site Type
iron iron haem

Resting State

nativeState of HEM 560 A
Download the coordinates file
Representative Structure
PDB code 1ltd
MACiE Metal Type
(Identity)
iron
(HEM560A)
PDB Metal Type (Identity) iron
(FE560A)
Oxidation State 3
Coordination Geometry
(Number of ligands)
octahedral
(6)

In this structure the iron in the b2-heme is an iron(II).


First Coordination Sphere

Ligand Type Ligand (PDB) Ligand (MACiE) Catalytic Binding Mode Contacting Atoms
Amino Acid Residue HIS 43 AHIS 43 A No monodentate NE2
Amino Acid Residue HIS 66 AHIS 66 A No monodentate NE2
Cofactor HEM 560 A- No tetradentate NA,NB,NC,ND

Step 01

Metal Functions

This metal is not active in this step.

Structural Information


MACiE Metal Type
(Identity)
iron
(HEM560A)
Oxidation State 3
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
product of HEM 560 A
Download the coordinates file
Representative Structure
PDB code 1fcb
MACiE Metal Type
(Identity)
iron
(HEM560A)
PDB Metal Type (Identity) iron
(FE560A)
Oxidation State 3
Coordination Geometry
(Number of ligands)
octahedral
(6)

In this structure the iron in the b2-heme is an iron(II).


First Coordination Sphere

Ligand Type Ligand (PDB) Ligand (MACiE) Catalytic Binding Mode Contacting Atoms
Amino Acid Residue HIS 43 AHIS 43 A No monodentate NE2
Amino Acid Residue HIS 66 AHIS 66 A No monodentate NE2
Cofactor HEM 560 A- No tetradentate NA,NB,NC,ND

Step 02

Metal Functions

One Electron Acceptor. Note: The electron is provided by the reduced FMN.

Structural Information


MACiE Metal Type
(Identity)
iron
(HEM560A)
Oxidation State 3
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
(HEM560A)
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

One Electron Donor. Note: The electron is provided to the ferri-cytochromeC.

Structural Information


MACiE Metal Type
(Identity)
iron
(HEM560A)
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
(HEM560A)
Oxidation State 3
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 04

Metal Functions

One Electron Acceptor. Note: The electron is provided by the reduced FMN.

Structural Information


MACiE Metal Type
(Identity)
iron
(HEM560A)
Oxidation State 3
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
(HEM560A)
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

One Electron Donor. Note: The electron is provided to the ferri-cytochromeC.

Structural Information


MACiE Metal Type
(Identity)
iron
(HEM560A)
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
(HEM560A)
Oxidation State 3
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 06

Metal Functions

This metal is not active in this step.

Structural Information


reagent of HEM 560 A
Download the coordinates file
Representative Structure
PDB code 1ltd
MACiE Metal Type
(Identity)
iron
(HEM560A)
PDB Metal Type (Identity) iron
(FE560A)
Oxidation State 3
Coordination Geometry
(Number of ligands)
octahedral
(6)

This is an inferred step. In this stage the coordination of the metal is the same as in the resting state.

In this structure the iron in the b2-heme is an iron(II).


First Coordination Sphere


Ligand Type Ligand (PDB) Ligand (MACiE) Catalytic Binding Mode Contacting Atoms
Amino Acid Residue HIS 43 AHIS 43 A No monodentate NE2
Amino Acid Residue HIS 66 AHIS 66 A No monodentate NE2
Cofactor HEM 560 A- No tetradentate NA,NB,NC,ND




Right Arrow
product of HEM 560 A
Download the coordinates file
Representative Structure
PDB code 1ltd
MACiE Metal Type
(Identity)
iron
(HEM560A)
PDB Metal Type (Identity) iron
(FE560A)
Oxidation State 3
Coordination Geometry
(Number of ligands)
octahedral
(6)

First Coordination Sphere

Ligand Type Ligand (PDB) Ligand (MACiE) Catalytic Binding Mode Contacting Atoms
Amino Acid Residue HIS 43 AHIS 43 A No monodentate NE2
Amino Acid Residue HIS 66 AHIS 66 A No monodentate NE2
Cofactor HEM 560 A- No tetradentate NA,NB,NC,ND


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