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HEC 801 _

Metal-MACiE entry for HEC 801 _

These four haems create an electron pathway from an electron donor to the FAD cofactor PMID11004445.


Metal in MACiE Physiological Metal Site Type
iron iron haem

Resting State

nativeState of HEC 801 _
Download the coordinates file
Representative Structure
PDB code 1qo8
MACiE Metal Type
(Identity)
iron
(HEC801_)
PDB Metal Type (Identity) iron
(FE604A)
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 19 AHIS 18 A No monodentate NE2
Amino Acid Residue HIS 72 AHIS 75 A No monodentate NE2
Cofactor HEM 604 AHEC 801 No tetradentate NA,NB,NC,ND

Step 01

Metal Functions

Electron Relay

One Electron Acceptor. Note: It receives the electron from a donor

One Electron Donor. Note: It donates the electron to heme 802.

Structural Information


reagent of HEC 801 _
Download the coordinates file
Representative Structure
PDB code 1qo8
MACiE Metal Type
(Identity)
iron
(HEC801_)
PDB Metal Type (Identity) iron
(FE604A)
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 19 AHIS 18 A No monodentate NE2
Amino Acid Residue HIS 72 AHIS 75 A No monodentate NE2
Cofactor HEM 604 AHEC 801 No tetradentate NA,NB,NC,ND




Right Arrow
product of HEC 801 _
Download the coordinates file
Representative Structure
PDB code 1qo8
MACiE Metal Type
(Identity)
iron
(HEC801_)
PDB Metal Type (Identity) iron
(FE604A)
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 19 AHIS 18 A No monodentate NE2
Amino Acid Residue HIS 72 AHIS 75 A No monodentate NE2
Cofactor HEM 604 AHEC 801 No tetradentate NA,NB,NC,ND

Step 02

Metal Functions

This metal is not active in this step.

Structural Information


reagent of HEC 801 _
Download the coordinates file
Representative Structure
PDB code 1d4e
MACiE Metal Type
(Identity)
iron
(HEC801_)
PDB Metal Type (Identity) iron
(FE603A)
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 19 AHIS 18 A No monodentate NE2
Amino Acid Residue HIS 77 AHIS 75 A No monodentate NE2
Cofactor HEM 603 AHEC 801 No tetradentate NA,NB,NC,ND




Right Arrow
product of HEC 801 _
Download the coordinates file
Representative Structure
PDB code 1qjd
MACiE Metal Type
(Identity)
iron
(HEC801_)
PDB Metal Type (Identity) iron
(FE801_)
Oxidation State 3
Coordination Geometry
(Number of ligands)
octahedral
(6)

The structure binds an analogue of the intemediate.


First Coordination Sphere

Ligand Type Ligand (PDB) Ligand (MACiE) Catalytic Binding Mode Contacting Atoms
Amino Acid Residue HIS 18 AHIS 18 A No monodentate NE2
Amino Acid Residue HIS 75 AHIS 75 A No monodentate NE2
Cofactor HEC 801 HEC 801 No tetradentate NA,NB,NC,ND

Step 03

Metal Functions

This metal is not active in this step.

Structural Information


reagent of HEC 801 _
Download the coordinates file
Representative Structure
PDB code 1qjd
MACiE Metal Type
(Identity)
iron
(HEC801_)
PDB Metal Type (Identity) iron
(FE801_)
Oxidation State 3
Coordination Geometry
(Number of ligands)
octahedral
(6)

The structure binds an analogue of the intermediate.


First Coordination Sphere


Ligand Type Ligand (PDB) Ligand (MACiE) Catalytic Binding Mode Contacting Atoms
Amino Acid Residue HIS 18 AHIS 18 A No monodentate NE2
Amino Acid Residue HIS 75 AHIS 75 A No monodentate NE2
Cofactor HEC 801 HEC 801 No tetradentate NA,NB,NC,ND




Right Arrow
product of HEC 801 _
Download the coordinates file
Representative Structure
PDB code 1d4d
MACiE Metal Type
(Identity)
iron
(HEC801_)
PDB Metal Type (Identity) iron
(FE603A)
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 19 AHIS 18 A No monodentate NE2
Amino Acid Residue HIS 77 AHIS 75 A No monodentate NE2
Cofactor HEM 603 AHEC 801 No tetradentate NA,NB,NC,ND


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