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4MO 902 A

Metal-MACiE entry for 4MO 902 A

Molybdenum is directly involved in the catalytic reaction (activator, redox center). The enzyme binds also three iron-sulfur clusters without catalytic function. They suggested to be a relict of evolution (PMID15284442).


Metal in MACiE Physiological Metal Site Type
molybdenum molybdenum molybdopterin

Resting State

nativeState of 4MO 902 A
Download the coordinates file
Representative Structure
PDB code 1ti2
MACiE Metal Type
(Identity)
molybdenum
(4MO902A)
PDB Metal Type (Identity) molybdenum
(MO902A)
Oxidation State 6
Coordination Geometry
(Number of ligands)
octahedral
(6)

In this structure the molybdenum ion is in the reduced form (IV)


First Coordination Sphere

Ligand Type Ligand (PDB) Ligand (MACiE) Catalytic Binding Mode Contacting Atoms
Amino Acid Residue SER 175 ASER 175 A No monodentate OG
Artifact ACT 903 A- No monodentate O
Note: In the native structure this acetate is probably substituted by a hydroxyl or water molecule
Cofactor MGD 900 AMGD 900 A No bidentate S12,S13
Cofactor MGD 901 AMGD 901 A No bidentate S12,S13

Step 01

Metal Functions

Substrate Binding

Structural Information


MACiE Metal Type
(Identity)
molybdenum
(4MO902A)
Oxidation State 6
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)
molybdenum
(4MO902A)
Oxidation State 6
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

Substrate Binding

Two Electron Acceptor. Note: The electrons are provided by the substrate.

Structural Information


MACiE Metal Type
(Identity)
molybdenum
(4MO902A)
Oxidation State 6
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 4MO 902 A
Download the coordinates file
Representative Structure
PDB code 1ti4
MACiE Metal Type
(Identity)
molybdenum
(4MO902A)
PDB Metal Type (Identity) molybdenum
(MO902A)
Oxidation State 4
Coordination Geometry
(Number of ligands)
octahedral
(6)

First Coordination Sphere

Ligand Type Ligand (PDB) Ligand (MACiE) Catalytic Binding Mode Contacting Atoms
Amino Acid Residue SER 175 ASER 175 A No monodentate OG
Cofactor MGD 900 AMGD 900 A No bidentate S12,S13
Cofactor MGD 901 AMGD 901 A No bidentate S12,S13
Reactive Species PYG 950 Y- No monodentate O1

Step 03

Metal Functions

Substrate Binding

Structural Information


MACiE Metal Type
(Identity)
molybdenum
(4MO902A)
Oxidation State 4
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)
molybdenum
(4MO902A)
Oxidation State 4
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

Substrate Binding

Structural Information


MACiE Metal Type
(Identity)
molybdenum
(4MO902A)
Oxidation State 4
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)
molybdenum
(4MO902A)
Oxidation State 4
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)
molybdenum
(4MO902A)
Oxidation State 4
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)
molybdenum
(4MO902A)
Oxidation State 4
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

Substrate Binding

Structural Information


MACiE Metal Type
(Identity)
molybdenum
(4MO902A)
Oxidation State 4
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)
molybdenum
(4MO902A)
Oxidation State 4
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 07

Metal Functions

Substrate Binding

Structural Information


MACiE Metal Type
(Identity)
molybdenum
(4MO902A)
Oxidation State 4
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)
molybdenum
(4MO902A)
Oxidation State 4
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 08

Metal Functions

Substrate Binding

One Electron Donor

Structural Information


MACiE Metal Type
(Identity)
molybdenum
(4MO902A)
Oxidation State 4
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)
molybdenum
(4MO902A)
Oxidation State 5
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 09

Metal Functions

One Electron Donor

Structural Information


MACiE Metal Type
(Identity)
molybdenum
(4MO902A)
Oxidation State 5
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)
molybdenum
(4MO902A)
Oxidation State 6
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.



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