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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 M0087 and M0172

These two reactions have a combined similarity of 0.40


M0087

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Comparison

M0172

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EC 3.5.1.5
urease
Sub-Class EC 3.4.19.-
isoaspartyl dipeptidase

Image of urea

Image of water

right arrow

Image of carbon dioxide

Image of ammonia

urea
C00086
CHEBI:16199
water
C00001
CHEBI:15377
carbon dioxide
C00011
CHEBI:16526
2 ammonia
C00014
CHEBI:16134
0.54

Image of hydroxyde ion

Image of beta-aspartyl-dipeptide

right arrow

Image of amino acid

Image of L-aspartate

hydroxyde ion
C01328
CHEBI:16234
beta-aspartyl-dipeptide
X00075
amino acid
C00045
CHEBI:15705
L-aspartate
C00049
CHEBI:29991

Catalytic CATH Codes

3.20.20.140

Catalytic CATH Codes

3.20.20.140

Active Site



0.2358

Active Site



Catalytic Residues

Type Number Chain Location of Function
Kcx 217 C Post-translationally modified residue
His 219 C Side Chain
Asp 221 C Side Chain
His 320 C Side Chain
Arg 336 C Side Chain
Asp 360 C Side Chain
0.25

Catalytic Residues

Type Number Chain Location of Function
Asp 285 A Side Chain

Organic Cofactors

No Associated Organic Cofactors

Organic Cofactors

No Associated Organic Cofactors

Metal Cofactors

Type Het group Number Chain
nickel NI 574 x
nickel NI 575 x

Metal Cofactors

Type Het group Number Chain
zinc ZN 800 x
zinc ZN 801 x

Reaction occurs across 3 steps

0.4444

Reaction occurs across 2 steps

Step 1
GIF of Reaction Step M0087.stg01

His320 deprotonates nickel bound water, which initiates a nucleophilic attack on the nickel bound urea in an addition reaction.
0.2 Step 1
GIF of Reaction Step M0172.stg01

Asp285 deprotonates the zinc activated hydroxide group. This then attacks the carbonyl carbon of the peptide bond in a nucleophilic addition.
Step 2
GIF of Reaction Step M0087.stg02

The tetrahedral intermediate collapses, eliminating ammonia with concomitant deprotonation of His320.
0.5 Step 2
GIF of Reaction Step M0172.stg02

The oxyanion initiates an elimination that cleaves the peptide bond. The amine side of the bond then deprotonates Asp285.
Step 3
GIF of Reaction Step M0087.stg03

Carbamate dissociates from the active site and is spontaneously converted to carbon dioxide and a second molecule of ammonia
N/A Step 3
No Step with this number present

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