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CA 901 x

Metal-MACiE entry for CA 901 x

The enzyme requires this calcium ion (PMID2137448) which is involved in substrate binding. A possible model of the reaction mechanism invokes a direct role for the calcium ion also as a water activator, although this role is not common for calcium (PMID10995765).


Metal in MACiE Physiological Metal Site Type
calcium calcium mononuclear

Resting State

nativeState of CA 901 x
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Representative Structure
PDB code 1fmi
MACiE Metal Type
(Identity)
calcium
(CA901x)
PDB Metal Type (Identity) calcium
(CA1A)
Oxidation State 2
Coordination Geometry
(Number of ligands)
unknownGeometry
(8)

First Coordination Sphere

Ligand Type Ligand (PDB) Ligand (MACiE) Catalytic Binding Mode Contacting Atoms
Amino Acid Residue THR 688 ATHR 525 A No bidentate O,OG1
Water HOH 1 - No monodentate O
Water HOH 2 - No monodentate O
Water HOH 3 - No monodentate O
Water HOH 4 - No monodentate O
Water HOH 5 - No monodentate O
Water HOH 6 - No monodentate O

Step 01

Metal Functions

Substrate Binding. Note: The enzyme requires this calcium ion (PMID2137448) which is involved in substrate binding. A possible model of the reaction mechanism invokes a direct role for the calcium ion also as a water activator, although this role is not common for calcium (PMID10995765).

Activator

Structural Information


reagent of CA 901 x
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Representative Structure
PDB code 1x9d
MACiE Metal Type
(Identity)
calcium
(CA901x)
PDB Metal Type (Identity) calcium
(CA1001_)
Oxidation State 2
Coordination Geometry
(Number of ligands)
unknownGeometry
(8)

First Coordination Sphere


Ligand Type Ligand (PDB) Ligand (MACiE) Catalytic Binding Mode Contacting Atoms
Amino Acid Residue THR 688 ATHR 525 A No bidentate O,OG1
Reactive Species SMD 1003 - No bidentate O12,O13
Water HOH 1 - No monodentate O
Water HOH 4 - No monodentate O
Water HOH 5 - No monodentate O
Water HOH 6 - No monodentate O




Right Arrow
MACiE Metal Type
(Identity)
calcium
(CA901x)
Oxidation State 2
Coordination Geometry
(Number of ligands)
unknownGeometry
(8)

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)
calcium
(CA901x)
Oxidation State 2
Coordination Geometry
(Number of ligands)
unknownGeometry
(8)

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
product of CA 901 x
Download the coordinates file
Representative Structure
PDB code 1NXC
MACiE Metal Type
(Identity)
calcium
(CA901x)
PDB Metal Type (Identity) calcium
(CA1_)
Oxidation State 2
Coordination Geometry
(Number of ligands)
unknownGeometry
(8)

First Coordination Sphere

Ligand Type Ligand (PDB) Ligand (MACiE) Catalytic Binding Mode Contacting Atoms
Amino Acid Residue THR 635 ATHR 525 A No bidentate O,OG1
Water HOH 1086 - No monodentate O
Water HOH 1087 - No monodentate O
Water HOH 1088 - No monodentate O
Water HOH 1089 - No monodentate O
Water HOH 1090 - No monodentate O
Water HOH 1091 - No monodentate O


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