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The two reactions compared are done so using a Tanimoto similarity score (for more information, please see the MACiE FAQ) for the bond changes only. The score maay range from 0 to 1 where 1 indicates that the two reactions are identical at the bond change level and 0 indicates that there are no bond changes in common.


Key

1.0-0.9 0.9-0.8 0.8-0.7 0.7-0.6 0.6-0.5 0.5-0.4 0.4-0.3 0.3-0.2 0.2-0.1 0.1-0.0 =0

Results for Comparison of M0246 and M0327

These two reactions have a combined similarity of 0.13


M0246

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Comparison

M0327

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EC 2.7.10.1
receptor protein-tyrosine kinase
Sub-SubClass EC 2.7.3.-
protein histidine kinase (CheA)

Image of ATP

Image of protein tyrosine

right arrow

Image of protein tyrosine phosphate

Image of ADP

ATP
C00002
CHEBI:30616
protein tyrosine
C00585
CHEBI:32789
protein tyrosine phosphate
C01167
ADP
C00008
CHEBI:456216
0.5

Image of ATP

Image of Asp-CheY

right arrow

Image of pAsp-CheY

Image of ADP

ATP
C00002
CHEBI:57299
Asp-CheY
X00148
pAsp-CheY
X00149
ADP
C00008
CHEBI:456216

Catalytic CATH Codes

1.10.510.10

Catalytic CATH Codes

3.30.200.20
0.0.0.0

Active Site



0

Active Site



Catalytic Residues

Type Number Chain Location of Function
Asp 1132 A Side Chain
Arg 1136 A Side Chain
0

Catalytic Residues

Type Number Chain Location of Function
Asn 409 A Side Chain
His 45 A Side Chain
Glu 67 A Side Chain

Organic Cofactors

No Associated Organic Cofactors

Organic Cofactors

No Associated Organic Cofactors

Metal Cofactors

Type Het group Number Chain
magnesium MG 301 _
magnesium MG 302 _

Metal Cofactors

Type Het group Number Chain
magnesium MG 382 A

Reaction occurs across 2 steps

0.125

Reaction occurs across 2 steps

Step 1
GIF of Reaction Step M0246.stg01

The gamma phosphate of the ATP substrate eliminates itself in a heterolysis, resulting in the transfer of a proton from the gamma phosphate to the beta phosphate and formation of ADP and the highly reactive metaphosphate anion.
0.25 Step 1
GIF of Reaction Step M0327.stg01

His45, activated by Glu67, acts as a nucleophile towards the terminal phosphate group of ATP.
Step 2
GIF of Reaction Step M0246.stg02

The protein tyrosine initiated a nucleophilic attack on the metaphosphate intermediate in an addition reaction, the resulting species then deprotonates the tyrosine phenol group to form the final product.
0.33 Step 2
GIF of Reaction Step M0327.stg02

The nucleophilic Asp of chemoreceptor Y (CheY) attacks the phosphorylated His45, removing the functional group and regenerating the active site.

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