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Table I Significant atomic distances (Ã…) of different catalytic site residues of cysteine proteases with selected inhibitors at S1 - P1 site

From: Insight to structural subsite recognition in plant thiol protease-inhibitor complexes : Understanding the basis of differential inhibition and the role of water

E-64 & Protease

Papain Caricain

 

Chymo

Actinidin

Calotropin

 

[19]

[21]

papain

[20]

DI

O5.....66(Gly):N

2.88

2.78

-

2.92

3.37

N10.....66(Gly):O

3.04

2.94

3.23

2.91

3.49

N6.....158(Asp):O

 

3.27

3.58

3.15

3.60

O18.....159(His):ND1

2.90

2.88

2.76

2.80

3.10

O17.....19(Gln):NE2

2.87

2.74

2.88

2.91

3.22

O17.....25(Cys):N

2.95

3.01

3.05

2.94

3.54

O17.....25(Cys):SG

 

3.36

3.33

3.24

2.81

E-64-C & Protease

Papain

Caricain

Chymo

Actinidin

Calotropin

 

[33]

 

Papain

 

DI

O5...66(Gly):N

3.16

2.88

3.28

3.05

3.21

N10...66(Gly):O

3.46

-

3.30

3.64

-

O17...19(Gln):NE2

2.90

3.35

3.12

3.25

3.18

O17...25(Cys):N

2.75

3.20

3.11

2.36

2.84

O17...25(Cys):SG

2.61

3.35

3.01

3.08

2.79

O18...159(His):ND1

3.76

3.38

3.32

3.56

3.39

N6...158(Asp):O

2.99

3.17

3.27

3.43

3.40

Leupeptin & Protease

Papain

Caricain

Chymo

Actinidin

Calotropin

 

[34]

 

Papain

 

DI

2 Leu:N...66(Gly):O

3.05

3.14

3.50

3.24

3.29

2 Leu:O...66(Gly):N

2.78

3.17

3.13

3.09

3.07

3 Arg:N...25(Cys):SG

3.01

3.06

3.26

3.22

3.02

3 Arg:N...158(Asp):O

3.03

2.69

3.09

2.80

2.93

3 Arg:O...19(Gln):NE2

2.88

3.17

3.21

3.17

3.18

3 Arg:O...25(Cys):SG

2.62

2.65

2.66

2.71

2.56

3 Arg:O...25(Cys):N

3.00

3.28

3.50

3.16

3.46

ZPACK & Protease

Papain

Caricain

Chymo

Actinidin

Calotropin

 

[30]

 

papain

 

DI

N11...66(Gly):O

2.84

2.98

-

2.85

3.61

O8...66(Gly):N

2.96

3.10

3.29

3.10

2.85

O3...25(Cys):N

3.61

3.25

3.40

2.85

3.84

O3...25(Cys):SG

3.30

3.45

3.18

3.05

3.28

O3...19(Gln):NE2

3.56

3.36

3.60

3.36

3.20

  1. Footnote: The numbers in square brackets are reference numbers In the table, the distances are typed as normal for the modeled complexes and x-ray crystallographic values are in italics. Residue numbers are according to papain sequence