Table 2 Amino acids substitutions in the active site of cruzipains and frequency of interactions of each position with cruzain ligands.

From: The gene repertoire of the main cysteine protease of Trypanosoma cruzi, cruzipain, reveals four sub-types with distinct active sites

Sub-type/Archetypea

Residue

S3

S2

S1

S1′

S2/S1′

Cruzipain 1

S61

N70

L67

M68

N69

A138

G163

E208

S64

S142

M145

D161

Q159

Cruzipain 2

F

K

S

S

L

A

A

E

G

T

M

N

R

Cruzipain 3 (czp.3.II.4_EL)

F

K

W

P

L

T

A

E

G

T

I

S

T

Cruzipain 3 (czp.3.II.9_NEL)

S

V

W

P

L

A

A

E

G

S

I

S

Q

Cruzipain 4

S

V

S

P

L

A

A

G

G

S

M

D

K

Frequency of interaction with crystallographic ligands (%)b

0.0

0.0

79.2

70.8

0.0

83.3

0.0

41.7

3.0

0.0

29.2

50.0

4.2

  1. aWe modeled one or two isoforms from each cruzipain sub-type, corresponding to sequences from czp.2.II.6_EL, czp.3.II.4_EL, czp.3.II.9_NEL and czp.4.II.7_NEL.
  2. bIntermolecular interactions were analyzed with nAPOLI using ligands co-crystallized with cruzain.