SIMILAR PATTERNS OF AMINO ACIDS FOR 1STF_E_CCSE25_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1aec ACTINIDIN

(Actinidia
chinensis) 		PF00112
(Peptidase_C1) 		7 GLN A  19
GLY A  23
TRP A  26
PHE A  28
SER A  29
HIS A 162
ALA A 163
 E64  A 219 (-3.2A)
E64  A 219 (-3.2A)
None
None
None
E64  A 219 (-3.8A)
E64  A 219 ( 4.3A)
 0.30A 1stfE-1aecA:
36.9
1stfI-1aecA:
0.0		 1stfE-1aecA:
47.49
1stfI-1aecA:
16.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1by8 PROTEIN
(PROCATHEPSIN K)

(Homo sapiens) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		9 GLN A 118
GLY A 122
SER A 123
TRP A 125
PHE A 127
SER A 128
HIS A 261
ALA A 262
GLY A  77
 None
 0.70A 1stfE-1by8A:
19.6
1stfI-1by8A:
0.0		 1stfE-1by8A:
43.61
1stfI-1by8A:
15.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1cjl PROCATHEPSIN L

(Homo sapiens) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		8 GLN A  19
GLY A  23
SER A  24
TRP A  26
PHE A  28
SER A  29
HIS A 163
GLY A  77
 None
 0.68A 1stfE-1cjlA:
29.5
1stfI-1cjlA:
0.0		 1stfE-1cjlA:
32.50
1stfI-1cjlA:
15.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1cqd PROTEIN (PROTEASE
II)

(Zingiber
officinale) 		PF00112
(Peptidase_C1) 		7 GLN A  21
GLY A  25
SER A  26
PHE A  30
SER A  31
ALA A 162
GLY A  67
 THJ  A 800 (-3.2A)
THJ  A 800 (-3.1A)
None
None
None
None
THJ  A 800 ( 4.6A)
 1.17A 1stfE-1cqdA:
37.6
1stfI-1cqdA:
0.9		 1stfE-1cqdA:
48.20
1stfI-1cqdA:
19.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1cqd PROTEIN (PROTEASE
II)

(Zingiber
officinale) 		PF00112
(Peptidase_C1) 		8 GLN A  21
GLY A  25
SER A  26
TRP A  28
PHE A  30
SER A  31
HIS A 161
ALA A 162
 THJ  A 800 (-3.2A)
THJ  A 800 (-3.1A)
None
None
None
None
THJ  A 800 ( 3.9A)
None
 0.33A 1stfE-1cqdA:
37.6
1stfI-1cqdA:
0.9		 1stfE-1cqdA:
48.20
1stfI-1cqdA:
19.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1cte CATHEPSIN B

(Rattus
norvegicus) 		PF00112
(Peptidase_C1) 		6 GLN A  23
GLY A  27
SER A  28
TRP A  30
PHE A  32
ALA A 200
 PYS  A 255 (-2.9A)
None
None
None
None
None
 0.42A 1stfE-1cteA:
27.2
1stfI-1cteA:
0.0		 1stfE-1cteA:
31.03
1stfI-1cteA:
15.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1fh0 CATHEPSIN V

(Homo sapiens) 		PF00112
(Peptidase_C1) 		7 GLN A  19
GLY A  23
SER A  24
TRP A  26
PHE A  28
SER A  29
HIS A 163
 0IW  A1280 (-2.9A)
0IW  A1280 (-3.6A)
None
0IW  A1280 (-4.9A)
None
None
0IW  A1280 (-4.0A)
 0.33A 1stfE-1fh0A:
33.9
1stfI-1fh0A:
0.8		 1stfE-1fh0A:
43.11
1stfI-1fh0A:
19.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gcb GAL6 HG (EMTS)
DERIVATIVE

(Saccharomyces
cerevisiae) 		PF03051
(Peptidase_C1_2) 		6 GLN A  67
GLY A  71
TRP A  74
PHE A  76
HIS A 369
ALA A 370
 HG  A 904 ( 4.8A)
HG  A 904 (-3.8A)
None
None
None
None
 0.58A 1stfE-1gcbA:
9.0
1stfI-1gcbA:
0.0		 1stfE-1gcbA:
19.63
1stfI-1gcbA:
13.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gec GLYCYL ENDOPEPTIDASE

(Carica papaya) 		PF00112
(Peptidase_C1) 		7 GLN E  19
SER E  24
TRP E  26
PHE E  28
SER E  29
HIS E 159
ALA E 160
 None
 0.65A 1stfE-1gecE:
39.4
1stfI-1gecE:
1.0		 1stfE-1gecE:
65.28
1stfI-1gecE:
19.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1glo CATHEPSIN S

(Homo sapiens) 		PF00112
(Peptidase_C1) 		6 GLN A  19
GLY A  23
TRP A  26
PHE A  28
SER A  29
HIS A 164
 None
 0.33A 1stfE-1gloA:
34.3
1stfI-1gloA:
1.3		 1stfE-1gloA:
42.79
1stfI-1gloA:
16.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1icf PROTEIN (CATHEPSIN
L: HEAVY CHAIN)
PROTEIN (INVARIANT
CHAIN)

(Homo sapiens;
Homo sapiens) 		PF00112
(Peptidase_C1)
PF00086
(Thyroglobulin_1) 		8 GLN A  19
GLY A  23
SER A  24
TRP A  26
PHE A  28
SER A  29
HIS A 163
GLY I 210
 None
 0.37A 1stfE-1icfA:
23.7
1stfI-1icfA:
undetectable		 1stfE-1icfA:
36.67
1stfI-1icfA:
18.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1iwd ERVATAMIN B

(Tabernaemontana
divaricata) 		PF00112
(Peptidase_C1) 		6 GLN A  19
GLY A  23
SER A  24
PHE A  28
SER A  29
GLY A  65
 THJ  A 601 (-3.6A)
THJ  A 601 (-3.0A)
None
None
None
THJ  A 601 (-3.6A)
 1.15A 1stfE-1iwdA:
37.1
1stfI-1iwdA:
undetectable		 1stfE-1iwdA:
48.18
1stfI-1iwdA:
17.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1iwd ERVATAMIN B

(Tabernaemontana
divaricata) 		PF00112
(Peptidase_C1) 		7 GLN A  19
GLY A  23
SER A  24
TRP A  26
PHE A  28
SER A  29
HIS A 158
 THJ  A 601 (-3.6A)
THJ  A 601 (-3.0A)
None
None
None
None
THJ  A 601 (-4.6A)
 0.19A 1stfE-1iwdA:
37.1
1stfI-1iwdA:
undetectable		 1stfE-1iwdA:
48.18
1stfI-1iwdA:
17.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jqp DIPEPTIDYL PEPTIDASE
I

(Rattus
norvegicus) 		PF00112
(Peptidase_C1)
PF08773
(CathepsinC_exc) 		6 GLN A 227
GLY A 231
SER A 232
PHE A 236
HIS A 380
ALA A 381
 None
 0.31A 1stfE-1jqpA:
19.8
1stfI-1jqpA:
undetectable		 1stfE-1jqpA:
19.61
1stfI-1jqpA:
13.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1m6d CATHEPSIN F

(Homo sapiens) 		PF00112
(Peptidase_C1) 		7 GLN A  19
GLY A  23
SER A  24
PHE A  28
SER A  29
ALA A 160
GLY A  65
 MYP  A1280 (-3.2A)
MYP  A1280 (-3.5A)
None
None
None
MYP  A1280 ( 4.5A)
MYP  A1280 (-3.1A)
 1.31A 1stfE-1m6dA:
32.5
1stfI-1m6dA:
undetectable		 1stfE-1m6dA:
42.04
1stfI-1m6dA:
17.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1m6d CATHEPSIN F

(Homo sapiens) 		PF00112
(Peptidase_C1) 		8 GLN A  19
GLY A  23
SER A  24
TRP A  26
PHE A  28
SER A  29
HIS A 159
ALA A 160
 MYP  A1280 (-3.2A)
MYP  A1280 (-3.5A)
None
MYP  A1280 (-4.9A)
None
None
MYP  A1280 (-3.6A)
MYP  A1280 ( 4.5A)
 0.46A 1stfE-1m6dA:
32.5
1stfI-1m6dA:
undetectable		 1stfE-1m6dA:
42.04
1stfI-1m6dA:
17.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mir PROCATHEPSIN B

(Rattus
norvegicus) 		PF00112
(Peptidase_C1)
PF08127
(Propeptide_C1) 		7 GLN A  23
GLY A  27
SER A  28
TRP A  30
PHE A  32
HIS A 199
ALA A 200
 None
 0.28A 1stfE-1mirA:
25.2
1stfI-1mirA:
undetectable		 1stfE-1mirA:
26.45
1stfI-1mirA:
13.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1o0e ERVATAMIN C

(Tabernaemontana
divaricata) 		PF00112
(Peptidase_C1) 		7 GLN A  19
GLY A  23
SER A  24
TRP A  26
PHE A  28
SER A  29
HIS A 157
 THJ  A 601 ( 3.8A)
THJ  A 601 (-2.9A)
None
None
None
None
THJ  A 601 (-3.8A)
 0.52A 1stfE-1o0eA:
25.6
1stfI-1o0eA:
undetectable		 1stfE-1o0eA:
49.77
1stfI-1o0eA:
18.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pci PROCARICAIN

(Carica papaya) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		7 GLN A  19
GLY A  23
SER A  24
PHE A  28
SER A  29
ALA A 160
GLY A  65
 None
 1.21A 1stfE-1pciA:
33.8
1stfI-1pciA:
undetectable		 1stfE-1pciA:
45.45
1stfI-1pciA:
12.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pci PROCARICAIN

(Carica papaya) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		7 GLN A  19
GLY A  23
SER A  24
TRP A  26
PHE A  28
SER A  29
ALA A 160
 None
 0.19A 1stfE-1pciA:
33.8
1stfI-1pciA:
undetectable		 1stfE-1pciA:
45.45
1stfI-1pciA:
12.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pci PROCARICAIN

(Carica papaya) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		7 GLY A  23
SER A  24
TRP A  26
PHE A  28
SER A  29
ALA A 160
GLY A  84
 None
 1.04A 1stfE-1pciA:
33.8
1stfI-1pciA:
undetectable		 1stfE-1pciA:
45.45
1stfI-1pciA:
12.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ppo PROTEASE OMEGA

(Carica papaya) 		PF00112
(Peptidase_C1) 		7 GLN A  19
GLY A  23
SER A  24
PHE A  28
SER A  29
ALA A 160
GLY A  65
 HG  A 217 ( 4.7A)
None
None
None
None
None
None
 1.15A 1stfE-1ppoA:
38.3
1stfI-1ppoA:
undetectable		 1stfE-1ppoA:
67.13
1stfI-1ppoA:
17.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ppo PROTEASE OMEGA

(Carica papaya) 		PF00112
(Peptidase_C1) 		8 GLN A  19
GLY A  23
SER A  24
TRP A  26
PHE A  28
SER A  29
HIS A 159
ALA A 160
 HG  A 217 ( 4.7A)
None
None
None
None
None
HG  A 217 ( 3.6A)
None
 0.37A 1stfE-1ppoA:
38.3
1stfI-1ppoA:
undetectable		 1stfE-1ppoA:
67.13
1stfI-1ppoA:
17.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qdq CATHEPSIN B

(Bos taurus) 		PF00112
(Peptidase_C1) 		7 GLN A  23
GLY A  27
SER A  28
TRP A  30
PHE A  32
HIS A 199
ALA A 200
 074  A 254 ( 3.1A)
074  A 254 ( 3.3A)
None
None
None
074  A 254 ( 3.9A)
074  A 254 ( 4.3A)
 0.30A 1stfE-1qdqA:
27.5
1stfI-1qdqA:
undetectable		 1stfE-1qdqA:
32.20
1stfI-1qdqA:
14.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1s4v CYSTEINE
ENDOPEPTIDASE

(Ricinus
communis) 		PF00112
(Peptidase_C1) 		6 GLN A  20
GLY A  24
SER A  25
PHE A  29
SER A  30
GLY A  67
 None
 1.17A 1stfE-1s4vA:
36.8
1stfI-1s4vA:
undetectable		 1stfE-1s4vA:
48.66
1stfI-1s4vA:
16.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1s4v CYSTEINE
ENDOPEPTIDASE

(Ricinus
communis) 		PF00112
(Peptidase_C1) 		7 GLN A  20
GLY A  24
SER A  25
TRP A  27
PHE A  29
SER A  30
HIS A 162
 None
 0.26A 1stfE-1s4vA:
36.8
1stfI-1s4vA:
undetectable		 1stfE-1s4vA:
48.66
1stfI-1s4vA:
16.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xkg MAJOR MITE FECAL
ALLERGEN DER P 1

(Dermatophagoides
pteronyssinus) 		PF00112
(Peptidase_C1) 		7 GLN A 108
GLY A 112
SER A 113
PHE A 117
SER A 118
ALA A 251
GLY A 153
 None
GOL  A 602 ( 4.9A)
None
SO4  A 501 (-4.7A)
None
GOL  A 602 (-3.9A)
GOL  A 602 (-3.4A)
 1.21A 1stfE-1xkgA:
28.4
1stfI-1xkgA:
undetectable		 1stfE-1xkgA:
23.60
1stfI-1xkgA:
15.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xkg MAJOR MITE FECAL
ALLERGEN DER P 1

(Dermatophagoides
pteronyssinus) 		PF00112
(Peptidase_C1) 		8 GLN A 108
GLY A 112
SER A 113
TRP A 115
PHE A 117
SER A 118
HIS A 250
ALA A 251
 None
GOL  A 602 ( 4.9A)
None
None
SO4  A 501 (-4.7A)
None
None
GOL  A 602 (-3.9A)
 0.52A 1stfE-1xkgA:
28.4
1stfI-1xkgA:
undetectable		 1stfE-1xkgA:
23.60
1stfI-1xkgA:
15.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1yal CHYMOPAPAIN

(Carica papaya) 		PF00112
(Peptidase_C1) 		7 GLN A  19
GLY A  23
SER A  24
PHE A  28
SER A  29
ALA A 160
GLY A  65
 None
 1.23A 1stfE-1yalA:
37.9
1stfI-1yalA:
undetectable		 1stfE-1yalA:
57.47
1stfI-1yalA:
17.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1yal CHYMOPAPAIN

(Carica papaya) 		PF00112
(Peptidase_C1) 		8 GLN A  19
GLY A  23
SER A  24
TRP A  26
PHE A  28
SER A  29
HIS A 159
ALA A 160
 None
 0.49A 1stfE-1yalA:
37.9
1stfI-1yalA:
undetectable		 1stfE-1yalA:
57.47
1stfI-1yalA:
17.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2b1n SPE31

(Pachyrhizus
erosus) 		PF00112
(Peptidase_C1) 		7 GLN A  20
GLY A  24
SER A  25
TRP A  27
PHE A  29
SER A  30
HIS A 168
 None
 0.52A 1stfE-2b1nA:
33.5
1stfI-2b1nA:
undetectable		 1stfE-2b1nA:
41.56
1stfI-2b1nA:
17.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2bdz MEXICAIN

(Jacaratia
mexicana) 		PF00112
(Peptidase_C1) 		7 GLN A  19
GLY A  23
SER A  24
PHE A  28
SER A  29
ALA A 160
GLY A  65
 E64  A 501 (-3.3A)
E64  A 501 (-3.2A)
None
None
None
E64  A 501 ( 4.6A)
E64  A 501 (-3.0A)
 1.21A 1stfE-2bdzA:
38.4
1stfI-2bdzA:
1.4		 1stfE-2bdzA:
59.62
1stfI-2bdzA:
20.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2bdz MEXICAIN

(Jacaratia
mexicana) 		PF00112
(Peptidase_C1) 		8 GLN A  19
GLY A  23
SER A  24
TRP A  26
PHE A  28
SER A  29
HIS A 159
ALA A 160
 E64  A 501 (-3.3A)
E64  A 501 (-3.2A)
None
None
None
None
E64  A 501 (-4.1A)
E64  A 501 ( 4.6A)
 0.39A 1stfE-2bdzA:
38.4
1stfI-2bdzA:
1.4		 1stfE-2bdzA:
59.62
1stfI-2bdzA:
20.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2c0y PROCATHEPSIN S

(Homo sapiens) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		6 GLN A 118
GLY A 122
TRP A 125
PHE A 127
SER A 128
HIS A 263
 None
 0.25A 1stfE-2c0yA:
29.8
1stfI-2c0yA:
undetectable		 1stfE-2c0yA:
33.92
1stfI-2c0yA:
14.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cb5 PROTEIN (BLEOMYCIN
HYDROLASE)

(Homo sapiens) 		PF03051
(Peptidase_C1_2) 		6 GLN A  67
GLY A  71
TRP A  74
PHE A  76
HIS A 372
ALA A 373
 None
 0.51A 1stfE-2cb5A:
9.0
1stfI-2cb5A:
0.0		 1stfE-2cb5A:
17.61
1stfI-2cb5A:
13.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fo5 CYSTEINE PROTEINASE
EP-B 2

(Hordeum vulgare) 		PF00112
(Peptidase_C1) 		6 GLN A  22
GLY A  26
SER A  27
PHE A  31
SER A  32
GLY A  69
 None
 1.16A 1stfE-2fo5A:
37.1
1stfI-2fo5A:
undetectable		 1stfE-2fo5A:
43.03
1stfI-2fo5A:
15.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fo5 CYSTEINE PROTEINASE
EP-B 2

(Hordeum vulgare) 		PF00112
(Peptidase_C1) 		7 GLN A  22
GLY A  26
SER A  27
TRP A  29
PHE A  31
SER A  32
HIS A 167
 None
 0.22A 1stfE-2fo5A:
37.1
1stfI-2fo5A:
undetectable		 1stfE-2fo5A:
43.03
1stfI-2fo5A:
15.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ipp CATHEPSIN B
CATHEPSIN B

(Homo sapiens;
Homo sapiens) 		PF00112
(Peptidase_C1)
PF00112
(Peptidase_C1) 		7 GLN A  23
GLY A  27
SER A  28
TRP A  30
PHE A  32
HIS B 199
ALA B 200
 PYS  A 255 ( 4.7A)
PYS  A 255 (-3.3A)
None
None
None
None
None
 0.35A 1stfE-2ippA:
undetectable
1stfI-2ippA:
undetectable		 1stfE-2ippA:
10.19
1stfI-2ippA:
15.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2o6x SECRETED CATHEPSIN L
1

(Fasciola
hepatica) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		7 GLN A 117
GLY A 121
SER A 122
PHE A 126
SER A 127
ALA A 261
GLY A 165
 None
 1.30A 1stfE-2o6xA:
29.0
1stfI-2o6xA:
undetectable		 1stfE-2o6xA:
30.18
1stfI-2o6xA:
14.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2o6x SECRETED CATHEPSIN L
1

(Fasciola
hepatica) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		8 GLN A 117
GLY A 121
SER A 122
TRP A 124
PHE A 126
SER A 127
HIS A 260
ALA A 261
 None
 0.46A 1stfE-2o6xA:
29.0
1stfI-2o6xA:
undetectable		 1stfE-2o6xA:
30.18
1stfI-2o6xA:
14.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2p7u CYSTEINE PROTEASE

(Trypanosoma
brucei) 		PF00112
(Peptidase_C1) 		7 GLN A  19
GLY A  23
SER A  24
TRP A  26
PHE A  28
SER A  29
HIS A 162
 D1R  A 300 (-3.0A)
D1R  A 300 (-3.7A)
None
None
None
None
D1R  A 300 (-4.0A)
 0.33A 1stfE-2p7uA:
32.1
1stfI-2p7uA:
undetectable		 1stfE-2p7uA:
40.09
1stfI-2p7uA:
18.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pbh PROCATHEPSIN B

(Homo sapiens) 		PF00112
(Peptidase_C1)
PF08127
(Propeptide_C1) 		8 GLN A  23
GLY A  27
SER A  28
TRP A  30
PHE A  32
HIS A 199
ALA A 200
GLY A  43
 None
 0.54A 1stfE-2pbhA:
24.8
1stfI-2pbhA:
undetectable		 1stfE-2pbhA:
28.05
1stfI-2pbhA:
14.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2pns ERVATAMIN-C, A
PAPAIN-LIKE PLANT
CYSTEINE PROTEASE

(Tabernaemontana
divaricata) 		PF00112
(Peptidase_C1) 		7 GLN A  19
GLY A  23
SER A  24
TRP A  26
PHE A  28
SER A  29
HIS A 157
 THJ  A 601 (-2.1A)
THJ  A 601 (-2.5A)
None
THJ  A 601 (-4.8A)
None
None
THJ  A 601 ( 4.7A)
 0.49A 1stfE-2pnsA:
24.5
1stfI-2pnsA:
undetectable		 1stfE-2pnsA:
49.31
1stfI-2pnsA:
17.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2vhs CATHSILICATEIN

(Homo sapiens) 		PF00112
(Peptidase_C1) 		6 GLN A  19
GLY A  23
PHE A  28
SER A  29
HIS A 163
ALA A 164
 SO4  A1221 (-3.2A)
SO4  A1221 (-3.5A)
None
None
SO4  A1221 (-3.8A)
None
 0.34A 1stfE-2vhsA:
34.5
1stfI-2vhsA:
undetectable		 1stfE-2vhsA:
38.74
1stfI-2vhsA:
18.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bcn ERVATAMIN-A

(Tabernaemontana
divaricata) 		PF00112
(Peptidase_C1) 		6 GLN A  19
GLY A  23
SER A  24
TRP A  26
PHE A  28
HIS A 157
 E64  A 214 (-3.9A)
E64  A 214 (-2.5A)
None
E64  A 214 (-4.8A)
None
E64  A 214 (-4.3A)
 0.28A 1stfE-3bcnA:
22.8
1stfI-3bcnA:
undetectable		 1stfE-3bcnA:
50.23
1stfI-3bcnA:
18.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bcn ERVATAMIN-A

(Tabernaemontana
divaricata) 		PF00112
(Peptidase_C1) 		6 GLN A  19
GLY A  23
TRP A  26
PHE A  28
SER A  29
HIS A 157
 E64  A 214 (-3.9A)
E64  A 214 (-2.5A)
E64  A 214 (-4.8A)
None
None
E64  A 214 (-4.3A)
 0.62A 1stfE-3bcnA:
22.8
1stfI-3bcnA:
undetectable		 1stfE-3bcnA:
50.23
1stfI-3bcnA:
18.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bwk CYSTEINE PROTEASE
FALCIPAIN-3

(Plasmodium
falciparum) 		PF00112
(Peptidase_C1) 		7 GLN A  45
GLY A  49
SER A  50
PHE A  54
SER A  55
ALA A 184
GLY A  91
 C1P  A 300 (-3.2A)
C1P  A 300 (-3.6A)
None
None
None
C1P  A 300 ( 4.1A)
C1P  A 300 (-3.2A)
 1.30A 1stfE-3bwkA:
28.4
1stfI-3bwkA:
undetectable		 1stfE-3bwkA:
34.92
1stfI-3bwkA:
15.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bwk CYSTEINE PROTEASE
FALCIPAIN-3

(Plasmodium
falciparum) 		PF00112
(Peptidase_C1) 		8 GLN A  45
GLY A  49
SER A  50
TRP A  52
PHE A  54
SER A  55
HIS A 183
ALA A 184
 C1P  A 300 (-3.2A)
C1P  A 300 (-3.6A)
None
None
None
None
C1P  A 300 (-3.7A)
C1P  A 300 ( 4.1A)
 0.29A 1stfE-3bwkA:
28.4
1stfI-3bwkA:
undetectable		 1stfE-3bwkA:
34.92
1stfI-3bwkA:
15.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3d6s ALLERGEN DER F I

(Dermatophagoides
farinae) 		PF00112
(Peptidase_C1) 		7 GLN A  29
GLY A  33
SER A  34
PHE A  38
SER A  39
ALA A 172
GLY A  74
 None
 1.24A 1stfE-3d6sA:
29.6
1stfI-3d6sA:
undetectable		 1stfE-3d6sA:
32.17
1stfI-3d6sA:
17.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3d6s ALLERGEN DER F I

(Dermatophagoides
farinae) 		PF00112
(Peptidase_C1) 		8 GLN A  29
GLY A  33
SER A  34
TRP A  36
PHE A  38
SER A  39
HIS A 171
ALA A 172
 None
 0.30A 1stfE-3d6sA:
29.6
1stfI-3d6sA:
undetectable		 1stfE-3d6sA:
32.17
1stfI-3d6sA:
17.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3f75 CATHEPSIN L PROTEASE

(Toxoplasma
gondii) 		PF00112
(Peptidase_C1) 		7 GLN A  25
GLY A  29
SER A  30
TRP A  32
PHE A  34
SER A  35
HIS A 167
 None
 0.25A 1stfE-3f75A:
35.7
1stfI-3f75A:
undetectable		 1stfE-3f75A:
39.91
1stfI-3f75A:
17.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3f75 CATHEPSIN L PROTEASE
CATHEPSIN L
PROPEPTIDE

(Toxoplasma
gondii;
Toxoplasma
gondii) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		7 GLN A  25
GLY A  29
SER A  30
TRP A  32
PHE A  34
SER A  35
GLY P 179
 None
 0.66A 1stfE-3f75A:
35.7
1stfI-3f75A:
undetectable		 1stfE-3f75A:
39.91
1stfI-3f75A:
17.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3hwn CATHEPSIN L1

(Homo sapiens) 		PF00112
(Peptidase_C1) 		7 GLN A  19
GLY A  23
SER A  24
TRP A  26
PHE A  28
SER A  29
HIS A 163
 BD3  A 221 (-3.4A)
BD3  A 221 ( 3.9A)
None
None
None
None
BD3  A 221 (-4.6A)
 0.32A 1stfE-3hwnA:
34.1
1stfI-3hwnA:
undetectable		 1stfE-3hwnA:
34.22
1stfI-3hwnA:
17.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ioq CMS1MS2

(Vasconcellea
cundinamarcensis) 		PF00112
(Peptidase_C1) 		7 GLN A  19
GLY A  23
SER A  24
PHE A  28
SER A  29
ALA A 160
GLY A  65
 E64  A 301 (-3.2A)
E64  A 301 ( 3.1A)
None
None
None
E64  A 301 ( 4.4A)
E64  A 301 (-3.3A)
 1.25A 1stfE-3ioqA:
39.4
1stfI-3ioqA:
0.9		 1stfE-3ioqA:
67.14
1stfI-3ioqA:
18.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ioq CMS1MS2

(Vasconcellea
cundinamarcensis) 		PF00112
(Peptidase_C1) 		8 GLN A  19
GLY A  23
SER A  24
TRP A  26
PHE A  28
SER A  29
HIS A 159
ALA A 160
 E64  A 301 (-3.2A)
E64  A 301 ( 3.1A)
None
E64  A 301 (-4.9A)
None
None
E64  A 301 (-3.8A)
E64  A 301 ( 4.4A)
 0.42A 1stfE-3ioqA:
39.4
1stfI-3ioqA:
0.9		 1stfE-3ioqA:
67.14
1stfI-3ioqA:
18.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3k9m CATHEPSIN B

(Homo sapiens) 		PF00112
(Peptidase_C1) 		7 GLN A  23
GLY A  27
SER A  28
TRP A  30
PHE A  32
HIS A 199
ALA A 200
 None
 0.48A 1stfE-3k9mA:
26.9
1stfI-3k9mA:
undetectable		 1stfE-3k9mA:
32.08
1stfI-3k9mA:
14.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mor CATHEPSIN B-LIKE
CYSTEINE PROTEASE

(Trypanosoma
brucei) 		PF00112
(Peptidase_C1) 		6 GLN A 116
GLY A 120
SER A 121
TRP A 123
HIS A 282
ALA A 283
 None
 0.27A 1stfE-3morA:
26.0
1stfI-3morA:
undetectable		 1stfE-3morA:
22.26
1stfI-3morA:
15.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ois CYSTEINE PROTEASE

(Xylella
fastidiosa) 		PF00112
(Peptidase_C1) 		6 GLN A  72
GLY A  76
SER A  77
HIS A 237
ALA A 238
GLY A  34
 None
 0.69A 1stfE-3oisA:
21.8
1stfI-3oisA:
0.5		 1stfE-3oisA:
24.24
1stfI-3oisA:
16.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ovz CATHEPSIN K

(Homo sapiens) 		PF00112
(Peptidase_C1) 		7 GLN A  19
GLY A  23
SER A  24
PHE A  28
SER A  29
ALA A 163
GLY A  65
 O96  A   1 (-3.0A)
O96  A   1 (-3.0A)
None
None
None
O96  A   1 (-3.4A)
O96  A   1 (-3.0A)
 1.16A 1stfE-3ovzA:
34.3
1stfI-3ovzA:
undetectable		 1stfE-3ovzA:
43.64
1stfI-3ovzA:
16.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ovz CATHEPSIN K

(Homo sapiens) 		PF00112
(Peptidase_C1) 		8 GLN A  19
GLY A  23
SER A  24
TRP A  26
PHE A  28
SER A  29
HIS A 162
ALA A 163
 O96  A   1 (-3.0A)
O96  A   1 (-3.0A)
None
None
None
None
O96  A   1 (-3.4A)
O96  A   1 (-3.4A)
 0.36A 1stfE-3ovzA:
34.3
1stfI-3ovzA:
undetectable		 1stfE-3ovzA:
43.64
1stfI-3ovzA:
16.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3p5u ACTINIDIN

(Actinidia
arguta) 		PF00112
(Peptidase_C1) 		7 GLN A  19
GLY A  23
SER A  24
PHE A  28
SER A  29
ALA A 163
GLY A  67
 CD  A 221 ( 4.2A)
None
None
None
None
None
None
 1.17A 1stfE-3p5uA:
36.9
1stfI-3p5uA:
undetectable		 1stfE-3p5uA:
48.66
1stfI-3p5uA:
16.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3p5u ACTINIDIN

(Actinidia
arguta) 		PF00112
(Peptidase_C1) 		8 GLN A  19
GLY A  23
SER A  24
TRP A  26
PHE A  28
SER A  29
HIS A 162
ALA A 163
 CD  A 221 ( 4.2A)
None
None
None
None
None
CD  A 221 (-3.3A)
None
 0.39A 1stfE-3p5uA:
36.9
1stfI-3p5uA:
undetectable		 1stfE-3p5uA:
48.66
1stfI-3p5uA:
16.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pdf DIPEPTIDYL PEPTIDASE
1

(Homo sapiens) 		PF00112
(Peptidase_C1)
PF08773
(CathepsinC_exc) 		6 GLN A 228
GLY A 232
SER A 233
PHE A 237
HIS A 381
ALA A 382
 LXV  A 442 (-3.4A)
LXV  A 442 (-3.5A)
None
None
None
LXV  A 442 ( 3.8A)
 0.31A 1stfE-3pdfA:
29.4
1stfI-3pdfA:
undetectable		 1stfE-3pdfA:
19.00
1stfI-3pdfA:
11.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pnr FALCIPAIN 2

(Plasmodium
falciparum) 		PF00112
(Peptidase_C1) 		7 GLN A  36
GLY A  40
SER A  41
PHE A  45
SER A  46
ALA A 175
GLY A  82
 None
 1.29A 1stfE-3pnrA:
29.2
1stfI-3pnrA:
undetectable		 1stfE-3pnrA:
36.65
1stfI-3pnrA:
17.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pnr FALCIPAIN 2
PBICP-C

(Plasmodium
falciparum;
Plasmodium
berghei) 		PF00112
(Peptidase_C1)
PF09394
(Inhibitor_I42)
PF12628
(Inhibitor_I71) 		9 GLN A  36
GLY A  40
SER A  41
TRP A  43
PHE A  45
SER A  46
HIS A 174
ALA A 175
GLY B 311
 None
 0.40A 1stfE-3pnrA:
29.2
1stfI-3pnrA:
undetectable		 1stfE-3pnrA:
36.65
1stfI-3pnrA:
17.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3qj3 CATHEPSIN L-LIKE
PROTEIN

(Tenebrio
molitor) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		9 GLN A 123
GLY A 127
SER A 128
TRP A 130
PHE A 132
SER A 133
HIS A 267
ALA A 268
GLY A  77
 None
 0.40A 1stfE-3qj3A:
28.3
1stfI-3qj3A:
undetectable		 1stfE-3qj3A:
31.62
1stfI-3qj3A:
15.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qt4 CATHEPSIN-L-LIKE
MIDGUT CYSTEINE
PROTEINASE

(Tenebrio
molitor) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		8 GLN A 116
GLY A 120
SER A 121
TRP A 123
PHE A 125
SER A 126
HIS A 259
GLY A  77
 PO4  A 401 (-3.5A)
PO4  A 401 (-3.1A)
None
None
None
None
PO4  A 401 (-3.6A)
PO4  A 401 ( 2.8A)
 0.44A 1stfE-3qt4A:
29.3
1stfI-3qt4A:
undetectable		 1stfE-3qt4A:
27.95
1stfI-3qt4A:
14.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3rvx PEPTIDASE 1

(Dermatophagoides
pteronyssinus) 		PF00112
(Peptidase_C1) 		7 GLN A  28
GLY A  32
SER A  33
PHE A  37
SER A  38
ALA A 171
GLY A  73
 None
 1.12A 1stfE-3rvxA:
29.8
1stfI-3rvxA:
undetectable		 1stfE-3rvxA:
32.05
1stfI-3rvxA:
19.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3rvx PEPTIDASE 1

(Dermatophagoides
pteronyssinus) 		PF00112
(Peptidase_C1) 		8 GLN A  28
GLY A  32
SER A  33
TRP A  35
PHE A  37
SER A  38
HIS A 170
ALA A 171
 None
 0.36A 1stfE-3rvxA:
29.8
1stfI-3rvxA:
undetectable		 1stfE-3rvxA:
32.05
1stfI-3rvxA:
19.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s3r CATHEPSIN B-LIKE
PEPTIDASE (C01
FAMILY)

(Schistosoma
mansoni) 		PF00112
(Peptidase_C1) 		7 GLN A  94
GLY A  98
SER A  99
TRP A 101
PHE A 103
HIS A 270
ALA A 271
 0IW  A 324 (-3.0A)
0IW  A 324 (-3.6A)
None
None
None
0IW  A 324 (-3.7A)
0IW  A 324 ( 4.3A)
 0.47A 1stfE-3s3rA:
26.8
1stfI-3s3rA:
undetectable		 1stfE-3s3rA:
28.91
1stfI-3s3rA:
16.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tnx PAPAIN

(Carica papaya) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		7 GLN A 126
GLY A 130
SER A 131
PHE A 135
SER A 136
ALA A 267
GLY A 172
 None
 1.27A 1stfE-3tnxA:
37.3
1stfI-3tnxA:
undetectable		 1stfE-3tnxA:
96.70
1stfI-3tnxA:
14.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tnx PAPAIN

(Carica papaya) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		8 GLN A 126
GLY A 130
SER A 131
PHE A 135
SER A 136
HIS A 266
ALA A 267
GLY A  84
 None
 0.69A 1stfE-3tnxA:
37.3
1stfI-3tnxA:
undetectable		 1stfE-3tnxA:
96.70
1stfI-3tnxA:
14.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tnx PAPAIN

(Carica papaya) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		8 GLN A 126
GLY A 130
SER A 131
TRP A 133
PHE A 135
SER A 136
HIS A 266
ALA A 267
 None
 0.29A 1stfE-3tnxA:
37.3
1stfI-3tnxA:
undetectable		 1stfE-3tnxA:
96.70
1stfI-3tnxA:
14.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ci7 CELL SURFACE PROTEIN
(PUTATIVE CELL
SURFACE-ASSOCIATED
CYSTEINE PROTEASE)

(Clostridioides
difficile) 		PF00112
(Peptidase_C1) 		6 GLN A 110
TRP A 117
PHE A 119
SER A 120
HIS A 262
ALA A 263
 None
 0.69A 1stfE-4ci7A:
21.4
1stfI-4ci7A:
undetectable		 1stfE-4ci7A:
19.53
1stfI-4ci7A:
11.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d59 CELL SURFACE PROTEIN
(PUTATIVE CELL
SURFACE-ASSOCIATED
CYSTEINE PROTEASE)

(Clostridioides
difficile) 		PF00112
(Peptidase_C1) 		6 GLN A 110
TRP A 117
PHE A 119
SER A 120
HIS A 262
ALA A 263
 None
 0.64A 1stfE-4d59A:
15.1
1stfI-4d59A:
0.2		 1stfE-4d59A:
20.40
1stfI-4d59A:
13.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i04 CATHEPSIN B-LIKE
PEPTIDASE (C01
FAMILY)

(Schistosoma
mansoni) 		PF00112
(Peptidase_C1)
PF08127
(Propeptide_C1) 		6 GLN A  94
GLY A  98
SER A  99
TRP A 101
PHE A 103
GLY A  47
 None
 0.81A 1stfE-4i04A:
25.9
1stfI-4i04A:
undetectable		 1stfE-4i04A:
23.93
1stfI-4i04A:
14.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i04 CATHEPSIN B-LIKE
PEPTIDASE (C01
FAMILY)

(Schistosoma
mansoni) 		PF00112
(Peptidase_C1)
PF08127
(Propeptide_C1) 		7 GLN A  94
GLY A  98
SER A  99
TRP A 101
PHE A 103
HIS A 270
ALA A 271
 None
 0.44A 1stfE-4i04A:
25.9
1stfI-4i04A:
undetectable		 1stfE-4i04A:
23.93
1stfI-4i04A:
14.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i05 CATHEPSIN B-LIKE
PEPTIDASE (C01
FAMILY)

(Schistosoma
mansoni) 		PF00112
(Peptidase_C1) 		8 GLN A  94
GLY A  98
SER A  99
TRP A 101
PHE A 103
HIS A 270
ALA A 271
GLY A  47
 CSO  A 100 ( 3.5A)
CSO  A 100 ( 3.9A)
CSO  A 100 ( 3.8A)
None
None
CSO  A 100 ( 4.2A)
CSO  A 100 ( 3.8A)
CSO  A 100 ( 3.6A)
 0.38A 1stfE-4i05A:
26.3
1stfI-4i05A:
undetectable		 1stfE-4i05A:
26.41
1stfI-4i05A:
15.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k7c AMINOPEPTIDASE C

(Lactobacillus
rhamnosus) 		PF03051
(Peptidase_C1_2) 		6 GLN A  64
GLY A  68
TRP A  71
PHE A  73
HIS A 364
ALA A 365
 None
 0.63A 1stfE-4k7cA:
7.9
1stfI-4k7cA:
undetectable		 1stfE-4k7cA:
19.73
1stfI-4k7cA:
14.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4kp9 PAPAIN

(Carica papaya) 		PF00112
(Peptidase_C1) 		7 GLN A  19
GLY A  23
SER A  24
PHE A  28
SER A  29
ALA A 160
GLY A  65
 BU1  A 301 (-3.1A)
BU1  A 301 (-3.2A)
None
None
None
None
YXZ  A 305 (-3.4A)
 1.16A 1stfE-4kp9A:
40.7
1stfI-4kp9A:
0.6		 1stfE-4kp9A:
99.53
1stfI-4kp9A:
18.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4kp9 PAPAIN

(Carica papaya) 		PF00112
(Peptidase_C1) 		8 GLN A  19
GLY A  23
SER A  24
TRP A  26
PHE A  28
SER A  29
HIS A 159
ALA A 160
 BU1  A 301 (-3.1A)
BU1  A 301 (-3.2A)
None
TXY  A  67 ( 4.3A)
None
None
BU1  A 301 (-4.1A)
None
 0.23A 1stfE-4kp9A:
40.7
1stfI-4kp9A:
0.6		 1stfE-4kp9A:
99.53
1stfI-4kp9A:
18.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qh6 CRUZIPAIN

(Trypanosoma
cruzi) 		PF00112
(Peptidase_C1) 		7 GLN A  19
GLY A  23
SER A  24
TRP A  26
PHE A  28
SER A  29
HIS A 162
 33L  A 301 (-3.7A)
33L  A 301 (-3.7A)
None
None
None
None
33L  A 301 (-4.7A)
 0.31A 1stfE-4qh6A:
32.2
1stfI-4qh6A:
1.7		 1stfE-4qh6A:
38.29
1stfI-4qh6A:
14.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4yyq FICIN ISOFORM A

(Ficus carica) 		PF00112
(Peptidase_C1) 		7 GLN A  19
GLY A  23
SER A  24
PHE A  28
SER A  29
ALA A 161
GLY A  67
 None
 1.08A 1stfE-4yyqA:
36.3
1stfI-4yyqA:
undetectable		 1stfE-4yyqA:
49.09
1stfI-4yyqA:
17.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4yyq FICIN ISOFORM A

(Ficus carica) 		PF00112
(Peptidase_C1) 		8 GLN A  19
GLY A  23
SER A  24
TRP A  26
PHE A  28
SER A  29
HIS A 160
ALA A 161
 None
 0.26A 1stfE-4yyqA:
36.3
1stfI-4yyqA:
undetectable		 1stfE-4yyqA:
49.09
1stfI-4yyqA:
17.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4yys FICIN ISOFORM B

(Ficus carica) 		PF00112
(Peptidase_C1) 		7 GLN A  19
GLY A  23
SER A  24
PHE A  28
SER A  29
ALA A 163
GLY A  67
 None
 1.13A 1stfE-4yysA:
35.9
1stfI-4yysA:
0.5		 1stfE-4yysA:
47.73
1stfI-4yysA:
16.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4yys FICIN ISOFORM B

(Ficus carica) 		PF00112
(Peptidase_C1) 		8 GLN A  19
GLY A  23
SER A  24
TRP A  26
PHE A  28
SER A  29
HIS A 162
ALA A 163
 None
 0.22A 1stfE-4yysA:
35.9
1stfI-4yysA:
0.5		 1stfE-4yysA:
47.73
1stfI-4yysA:
16.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4yyw FICIN ISOFORM D

(Ficus carica) 		PF00112
(Peptidase_C1) 		7 GLN A  19
GLY A  23
SER A  24
PHE A  28
SER A  29
ALA A 163
GLY A  67
 None
 1.21A 1stfE-4yywA:
35.9
1stfI-4yywA:
undetectable		 1stfE-4yywA:
46.36
1stfI-4yywA:
17.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4yyw FICIN ISOFORM D

(Ficus carica) 		PF00112
(Peptidase_C1) 		8 GLN A  19
GLY A  23
SER A  24
TRP A  26
PHE A  28
SER A  29
HIS A 162
ALA A 163
 None
 0.31A 1stfE-4yywA:
35.9
1stfI-4yywA:
undetectable		 1stfE-4yywA:
46.36
1stfI-4yywA:
17.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5a24 DIONAIN-1

(Dionaea
muscipula) 		PF00112
(Peptidase_C1) 		7 GLN A  20
GLY A  24
TRP A  27
PHE A  29
SER A  30
HIS A 165
ALA A 166
 E64  A1224 (-3.2A)
E64  A1224 (-3.1A)
E64  A1224 (-4.9A)
None
None
E64  A1224 (-3.8A)
E64  A1224 ( 4.0A)
 0.28A 1stfE-5a24A:
36.2
1stfI-5a24A:
undetectable		 1stfE-5a24A:
45.95
1stfI-5a24A:
16.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5egw CYSTEINE PROTEASE

(Ambrosia
artemisiifolia) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		6 GLN A 149
GLY A 153
SER A 154
TRP A 156
PHE A 158
HIS A 289
 None
 0.41A 1stfE-5egwA:
31.7
1stfI-5egwA:
undetectable		 1stfE-5egwA:
44.30
1stfI-5egwA:
13.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5i4h CATHEPSIN L1
CATHEPSIN L1

(Homo sapiens;
Homo sapiens) 		PF00112
(Peptidase_C1)
PF00112
(Peptidase_C1) 		7 GLN A  19
GLY A  23
SER A  24
TRP A  26
PHE A  28
SER A  29
HIS B 163
 None
 0.25A 1stfE-5i4hA:
12.2
1stfI-5i4hA:
undetectable		 1stfE-5i4hA:
31.84
1stfI-5i4hA:
21.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jt8 BLO T 1 ALLERGEN

(Blomia
tropicalis) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		7 GLN A 113
GLY A 117
SER A 118
TRP A 120
PHE A 122
HIS A 263
ALA A 264
 CSO  A 119 ( 3.6A)
CSO  A 119 ( 3.9A)
CSO  A 119 ( 3.8A)
None
None
CSO  A 119 ( 4.0A)
CSO  A 119 ( 3.7A)
 0.26A 1stfE-5jt8A:
27.7
1stfI-5jt8A:
undetectable		 1stfE-5jt8A:
30.94
1stfI-5jt8A:
12.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5sup ATP-DEPENDENT RNA
HELICASE SUB2

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		6 GLY A 111
PHE A 246
SER A 247
ALA A 248
SER A 108
GLY A 109
 ADP  A1000 ( 3.3A)
None
None
BEF  A1001 ( 3.9A)
BEF  A1001 ( 4.2A)
ADP  A1000 ( 3.2A)
 0.95A 1stfE-5supA:
undetectable
1stfI-5supA:
undetectable		 1stfE-5supA:
18.27
1stfI-5supA:
14.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5suq ATP-DEPENDENT RNA
HELICASE SUB2

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		6 GLY A 111
PHE A 246
SER A 247
ALA A 248
SER A 108
GLY A 109
 None
 0.95A 1stfE-5suqA:
undetectable
1stfI-5suqA:
undetectable		 1stfE-5suqA:
17.78
1stfI-5suqA:
13.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t6u CATHEPSIN K

(Mus musculus) 		PF00112
(Peptidase_C1) 		7 GLN A  19
GLY A  23
SER A  24
PHE A  28
SER A  29
ALA A 163
GLY A  65
 None
 1.16A 1stfE-5t6uA:
34.7
1stfI-5t6uA:
undetectable		 1stfE-5t6uA:
42.27
1stfI-5t6uA:
18.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t6u CATHEPSIN K

(Mus musculus) 		PF00112
(Peptidase_C1) 		8 GLN A  19
GLY A  23
SER A  24
TRP A  26
PHE A  28
SER A  29
HIS A 162
ALA A 163
 None
 0.38A 1stfE-5t6uA:
34.7
1stfI-5t6uA:
undetectable		 1stfE-5t6uA:
42.27
1stfI-5t6uA:
18.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6czs -

(-) 		no annotation 7 GLN A 135
GLY A 139
SER A 140
PHE A 144
SER A 145
ALA A 282
GLY A 183
 None
 1.29A 1stfE-6czsA:
28.5
1stfI-6czsA:
undetectable		 1stfE-6czsA:
undetectable
1stfI-6czsA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6czs -

(-) 		no annotation 8 GLN A 135
GLY A 139
SER A 140
TRP A 142
PHE A 144
SER A 145
HIS A 281
ALA A 282
 None
 0.34A 1stfE-6czsA:
28.5
1stfI-6czsA:
undetectable		 1stfE-6czsA:
undetectable
1stfI-6czsA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
8pch CATHEPSIN H

(Sus scrofa) 		PF00112
(Peptidase_C1) 		7 GLN A  19
GLY A  23
SER A  24
PHE A  28
SER A  29
ALA A 160
GLY A  65
 None
 1.26A 1stfE-8pchA:
32.4
1stfI-8pchA:
undetectable		 1stfE-8pchA:
40.44
1stfI-8pchA:
20.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
8pch CATHEPSIN H

(Sus scrofa) 		PF00112
(Peptidase_C1) 		7 GLN A  19
GLY A  23
SER A  24
TRP A  26
PHE A  28
SER A  29
ALA A 160
 None
 0.41A 1stfE-8pchA:
32.4
1stfI-8pchA:
undetectable		 1stfE-8pchA:
40.44
1stfI-8pchA:
20.40