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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 M0326 and M0271

These two reactions have a combined similarity of 0.18


M0326

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Comparison

M0271

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EC 2.7.1.40
pyruvate kinase
Class EC 5.4.2.9
phosphoenolpyruvate mutase

Image of ADP

Image of proton

Image of phosphonatoenolpyruvate

right arrow

Image of ATP

Image of pyruvate

ADP
C00008
CHEBI:456216
proton
C00088
CHEBI:16301
phosphonatoenolpyruvate
C00074
CHEBI:58702
ATP
C00002
CHEBI:30616
pyruvate
C00022
CHEBI:15361
0.28

Image of Phosphoenolpyruvate

right arrow

Image of 3-Phosphonopyruvate

Phosphoenolpyruvate
C00074
CHEBI:58702
3-Phosphonopyruvate
C02798
CHEBI:17271

Catalytic CATH Codes

3.20.20.60
2.40.33.10

Catalytic CATH Codes

3.20.20.60

Active Site



0.16934

Active Site



Catalytic Residues

Type Number Chain Location of Function
Arg 119 A Side Chain
Arg 72 A Side Chain
Lys 269 A Side Chain
Thr 327 A Side Chain
0.1666

Catalytic Residues

Type Number Chain Location of Function
Arg 159 A Side Chain
Ser 46 A Side Chain
Leu 48 A Main Chain Amide
Ser 123 A Side Chain
Asn 122 A Side Chain
His 190 A Side Chain

Organic Cofactors

No Associated Organic Cofactors

Organic Cofactors

No Associated Organic Cofactors

Metal Cofactors

Type Het group Number Chain
potassium K 3532 E
manganese MG 3534 E
none MG 3536 E

Metal Cofactors

Type Het group Number Chain
magnesium MG 1003 A

Reaction occurs across 3 steps

0.1818

Reaction occurs across 2 steps

Step 1
GIF of Reaction Step M0326.stg01

Phosphoryl transfer from PEP to M(II)ADP occurs by an apparent SN2 mechanism with an inversion of configuration at the phosphoryl group, to yield the enolate of pyruvate and M(II)ATP
0.5 Step 1
GIF of Reaction Step M0271.stg01

The metaphosphate dissociates from the phosphoenolpyruvate substrate.
Step 2
GIF of Reaction Step M0326.stg02

Thr237 and the Mn(II) cation increase the acidity of water through hydrogen bonding and charge stabilisation, respectively, generating a specific acid to act towards the enolate intermediate.
0.2 Step 2
GIF of Reaction Step M0271.stg02

The oxyanion initiated a nulceophilic attack of the C3 on the metaphosphate to form the product.
Step 3
GIF of Reaction Step M0326.stg03

The hydroxide is reprotonated.
N/A Step 3
No Step with this number present

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