SIMILAR PATTERNS OF AMINO ACIDS FOR 3AI8_A_HNQA255_1

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) 		4 GLN A  19
GLY A  23
HIS A 162
TRP A 184
 E64  A 219 (-3.2A)
E64  A 219 (-3.2A)
E64  A 219 (-3.8A)
None
 0.48A 3ai8A-1aecA:
27.6		 3ai8A-1aecA:
31.18
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) 		4 GLN A  19
GLY A  24
HIS A 162
TRP A 184
 E64  A 219 (-3.2A)
E64  A 219 (-4.1A)
E64  A 219 (-3.8A)
None
 0.88A 3ai8A-1aecA:
27.6		 3ai8A-1aecA:
31.18
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.
1ati GLYCYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		4 GLN A 191
GLY A 192
HIS A  79
HIS A 319
 None
 1.20A 3ai8A-1atiA:
undetectable		 3ai8A-1atiA:
19.44
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.
1by8 PROTEIN
(PROCATHEPSIN K)

(Homo sapiens) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		4 GLN A 118
GLY A 122
HIS A 261
TRP A 283
 None
 0.43A 3ai8A-1by8A:
24.6		 3ai8A-1by8A:
23.49
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.
1cjl PROCATHEPSIN L

(Homo sapiens) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		4 GLN A  19
GLY A  23
HIS A 163
TRP A 189
 None
 0.35A 3ai8A-1cjlA:
24.8		 3ai8A-1cjlA:
26.89
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) 		4 GLN A  21
GLY A  25
HIS A 161
TRP A 183
 THJ  A 800 (-3.2A)
THJ  A 800 (-3.1A)
THJ  A 800 ( 3.9A)
None
 0.37A 3ai8A-1cqdA:
27.5		 3ai8A-1cqdA:
31.11
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) 		5 GLN A  23
GLY A  27
HIS A 110
HIS A 111
TRP A 221
 PYS  A 255 (-2.9A)
None
None
None
PYS  A 255 (-4.0A)
 0.30A 3ai8A-1cteA:
45.8		 3ai8A-1cteA:
82.42
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.
1cv8 STAPHOPAIN

(Staphylococcus
aureus) 		PF05543
(Peptidase_C47) 		4 GLN A  18
GLY A  22
HIS A 120
TRP A 143
 E64  A 176 (-3.3A)
E64  A 176 (-3.2A)
E64  A 176 ( 3.7A)
None
 0.49A 3ai8A-1cv8A:
12.4		 3ai8A-1cv8A:
21.79
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.
1deu PROCATHEPSIN X

(Homo sapiens) 		PF00112
(Peptidase_C1) 		4 GLN A  22
GLY A  29
HIS A 180
TRP A 202
 None
 0.31A 3ai8A-1deuA:
26.9		 3ai8A-1deuA:
27.52
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.
1ef7 CATHEPSIN X

(Homo sapiens) 		PF00112
(Peptidase_C1) 		4 GLN A  22
GLY A  29
HIS A 180
TRP A 202
 None
 0.46A 3ai8A-1ef7A:
28.0		 3ai8A-1ef7A:
29.45
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) 		4 GLN A  19
GLY A  23
HIS A 163
TRP A 189
 0IW  A1280 (-2.9A)
0IW  A1280 (-3.6A)
0IW  A1280 (-4.0A)
0IW  A1280 (-4.0A)
 0.43A 3ai8A-1fh0A:
17.3		 3ai8A-1fh0A:
31.82
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) 		4 GLN A  67
GLY A  71
HIS A 369
TRP A 394
 HG  A 904 ( 4.8A)
HG  A 904 (-3.8A)
None
None
 0.36A 3ai8A-1gcbA:
13.5		 3ai8A-1gcbA:
21.55
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.
1ggm GLYCINE--TRNA LIGASE

(Thermus
thermophilus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		4 GLN A 191
GLY A 192
HIS A  79
HIS A 319
 None
 1.23A 3ai8A-1ggmA:
undetectable		 3ai8A-1ggmA:
20.63
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) 		4 GLN A  19
GLY A  23
HIS A 164
TRP A 186
 None
 0.35A 3ai8A-1gloA:
28.4		 3ai8A-1gloA:
32.58
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.
1iwd ERVATAMIN B

(Tabernaemontana
divaricata) 		PF00112
(Peptidase_C1) 		4 GLN A  19
GLY A  23
HIS A 158
TRP A 180
 THJ  A 601 (-3.6A)
THJ  A 601 (-3.0A)
THJ  A 601 (-4.6A)
None
 0.48A 3ai8A-1iwdA:
27.0		 3ai8A-1iwdA:
27.97
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) 		4 GLN A 227
GLY A 231
HIS A 380
TRP A 404
 None
 0.35A 3ai8A-1jqpA:
29.6		 3ai8A-1jqpA:
24.25
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.
1m6d CATHEPSIN F

(Homo sapiens) 		PF00112
(Peptidase_C1) 		4 GLN A  19
GLY A  23
HIS A 159
TRP A 177
 MYP  A1280 (-3.2A)
MYP  A1280 (-3.5A)
MYP  A1280 (-3.6A)
MYP  A1280 (-3.8A)
 0.47A 3ai8A-1m6dA:
27.8		 3ai8A-1m6dA:
28.30
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.
1ma1 SUPEROXIDE DISMUTASE

(Methanothermobacter
thermautotrophicus) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 GLY A 130
HIS A  32
HIS A  36
HIS A 151
 None
FE  A 206 (-3.2A)
None
None
 1.17A 3ai8A-1ma1A:
undetectable		 3ai8A-1ma1A:
23.94
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.
1mdw CALPAIN II,
CATALYTIC SUBUNIT

(Rattus
norvegicus) 		PF00648
(Peptidase_C2) 		4 GLN A  99
GLY A 103
HIS A 262
TRP A 288
 None
 0.50A 3ai8A-1mdwA:
6.8		 3ai8A-1mdwA:
21.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mir PROCATHEPSIN B

(Rattus
norvegicus) 		PF00112
(Peptidase_C1)
PF08127
(Propeptide_C1) 		4 GLN A  23
GLY A  27
HIS A 199
TRP A 221
 None
 0.46A 3ai8A-1mirA:
39.8		 3ai8A-1mirA:
75.99
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.
1mwo ALPHA AMYLASE

(Pyrococcus
woesei) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		4 GLY A 157
HIS A 167
HIS A 168
HIS A 147
 CA  A 442 (-4.3A)
None
ZN  A 436 ( 4.9A)
ZN  A 436 (-3.2A)
 1.12A 3ai8A-1mwoA:
undetectable		 3ai8A-1mwoA:
21.48
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.
1o0e ERVATAMIN C

(Tabernaemontana
divaricata) 		PF00112
(Peptidase_C1) 		4 GLN A  19
GLY A  23
HIS A 157
TRP A 175
 THJ  A 601 ( 3.8A)
THJ  A 601 (-2.9A)
THJ  A 601 (-3.8A)
None
 0.35A 3ai8A-1o0eA:
26.4		 3ai8A-1o0eA:
28.68
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.
1ppo PROTEASE OMEGA

(Carica papaya) 		PF00112
(Peptidase_C1) 		4 GLN A  19
GLY A  23
HIS A 159
TRP A 181
 HG  A 217 ( 4.7A)
None
HG  A 217 ( 3.6A)
None
 0.51A 3ai8A-1ppoA:
28.0		 3ai8A-1ppoA:
29.81
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) 		6 GLN A  23
GLY A  27
HIS A 110
HIS A 111
HIS A 199
TRP A 221
 074  A 254 ( 3.1A)
074  A 254 ( 3.3A)
074  A 254 ( 3.6A)
074  A 254 ( 3.9A)
074  A 254 ( 3.9A)
074  A 254 (-3.5A)
 0.44A 3ai8A-1qdqA:
45.0		 3ai8A-1qdqA:
88.24
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) 		4 GLN A  20
GLY A  24
HIS A 162
TRP A 185
 None
 0.51A 3ai8A-1s4vA:
27.9		 3ai8A-1s4vA:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1sp4 CATHEPSIN B

(Bos taurus) 		PF00112
(Peptidase_C1) 		4 HIS B 110
HIS B 111
HIS B 199
TRP B 221
 EP2  B  48 (-3.5A)
EP2  B  48 (-3.9A)
EP2  B  48 (-4.0A)
EP2  B  48 (-3.3A)
 0.36A 3ai8A-1sp4B:
30.5		 3ai8A-1sp4B:
73.17
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) 		4 GLN A 108
GLY A 112
HIS A 250
TRP A 272
 None
GOL  A 602 ( 4.9A)
None
None
 0.38A 3ai8A-1xkgA:
26.9		 3ai8A-1xkgA:
23.05
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.
1yal CHYMOPAPAIN

(Carica papaya) 		PF00112
(Peptidase_C1) 		4 GLN A  19
GLY A  23
HIS A 159
TRP A 181
 None
 0.38A 3ai8A-1yalA:
28.6		 3ai8A-1yalA:
29.59
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.
1z7e PROTEIN ARNA

(Escherichia
coli) 		PF00551
(Formyl_trans_N)
PF01370
(Epimerase)
PF02911
(Formyl_trans_C) 		4 GLY A  43
HIS A 162
HIS A 163
CYH A 166
 None
 1.05A 3ai8A-1z7eA:
undetectable		 3ai8A-1z7eA:
16.11
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.
1zcm CALPAIN 1, LARGE
[CATALYTIC] SUBUNIT

(Homo sapiens) 		PF00648
(Peptidase_C2) 		4 GLN A 109
GLY A 113
HIS A 272
TRP A 298
 C1N  A1115 (-3.4A)
C1N  A1115 (-3.1A)
C1N  A1115 (-4.2A)
None
 0.51A 3ai8A-1zcmA:
4.6		 3ai8A-1zcmA:
22.70
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) 		4 GLN A  20
GLY A  24
HIS A 168
TRP A 190
 None
 0.61A 3ai8A-2b1nA:
26.4		 3ai8A-2b1nA:
30.63
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.
2bdz MEXICAIN

(Jacaratia
mexicana) 		PF00112
(Peptidase_C1) 		4 GLN A  19
GLY A  23
HIS A 159
TRP A 177
 E64  A 501 (-3.3A)
E64  A 501 (-3.2A)
E64  A 501 (-4.1A)
None
 0.42A 3ai8A-2bdzA:
27.3		 3ai8A-2bdzA:
29.59
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.
2c0y PROCATHEPSIN S

(Homo sapiens) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		4 GLN A 118
GLY A 122
HIS A 263
TRP A 285
 None
 0.48A 3ai8A-2c0yA:
25.2		 3ai8A-2c0yA:
27.41
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) 		4 GLN A  67
GLY A  71
HIS A 372
TRP A 398
 None
 0.41A 3ai8A-2cb5A:
13.0		 3ai8A-2cb5A:
22.17
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.
2dc0 PROBABLE AMIDASE

(Thermus
thermophilus) 		PF01425
(Amidase) 		4 GLN A 143
GLY A 364
HIS A 118
HIS A 377
 None
 0.77A 3ai8A-2dc0A:
undetectable		 3ai8A-2dc0A:
18.55
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) 		4 GLN A  22
GLY A  26
HIS A 167
TRP A 190
 None
 0.43A 3ai8A-2fo5A:
28.3		 3ai8A-2fo5A:
30.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ipp CATHEPSIN B

(Homo sapiens) 		PF00112
(Peptidase_C1) 		6 GLN A  23
GLY A  27
HIS B 110
HIS B 111
HIS B 199
TRP B 221
 PYS  A 255 ( 4.7A)
PYS  A 255 (-3.3A)
None
None
None
None
 0.45A 3ai8A-2ippA:
undetectable		 3ai8A-2ippA:
95.92
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.
2nqa CALPAIN 8

(Homo sapiens) 		PF00648
(Peptidase_C2) 		4 GLN A  99
GLY A 103
HIS A 262
TRP A 288
 None
 0.52A 3ai8A-2nqaA:
6.5		 3ai8A-2nqaA:
22.46
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.
2nqi CALPAIN-1 CATALYTIC
SUBUNIT

(Rattus
norvegicus) 		PF00648
(Peptidase_C2) 		4 GLN A 109
GLY A 113
HIS A 272
TRP A 298
 NQI  A 501 (-3.2A)
NQI  A 501 (-3.1A)
NQI  A 501 (-4.0A)
NQI  A 501 (-3.9A)
 0.52A 3ai8A-2nqiA:
4.7		 3ai8A-2nqiA:
19.71
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.
2o6x SECRETED CATHEPSIN L
1

(Fasciola
hepatica) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		4 GLN A 117
GLY A 121
HIS A 260
TRP A 282
 None
 0.35A 3ai8A-2o6xA:
25.1		 3ai8A-2o6xA:
27.64
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.
2p0r CALPAIN-9

(Homo sapiens) 		PF00648
(Peptidase_C2) 		4 GLN A  91
GLY A  95
HIS A 254
TRP A 280
 None
 0.44A 3ai8A-2p0rA:
7.4		 3ai8A-2p0rA:
21.57
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.
2p7u CYSTEINE PROTEASE

(Trypanosoma
brucei) 		PF00112
(Peptidase_C1) 		4 GLN A  19
GLY A  23
HIS A 162
TRP A 184
 D1R  A 300 (-3.0A)
D1R  A 300 (-3.7A)
D1R  A 300 (-4.0A)
D1R  A 300 (-4.2A)
 0.43A 3ai8A-2p7uA:
27.1		 3ai8A-2p7uA:
29.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2pbh PROCATHEPSIN B

(Homo sapiens) 		PF00112
(Peptidase_C1)
PF08127
(Propeptide_C1) 		4 GLN A  23
GLY A  27
HIS A 199
TRP A 221
 None
 0.43A 3ai8A-2pbhA:
39.7		 3ai8A-2pbhA:
100.00
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.
2pns ERVATAMIN-C, A
PAPAIN-LIKE PLANT
CYSTEINE PROTEASE

(Tabernaemontana
divaricata) 		PF00112
(Peptidase_C1) 		4 GLN A  19
GLY A  23
HIS A 157
TRP A 175
 THJ  A 601 (-2.1A)
THJ  A 601 (-2.5A)
THJ  A 601 ( 4.7A)
None
 0.47A 3ai8A-2pnsA:
26.4		 3ai8A-2pnsA:
28.57
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.
2pny ISOPENTENYL-DIPHOSPH
ATE DELTA-ISOMERASE
2

(Homo sapiens) 		PF00293
(NUDIX) 		4 GLY A 145
HIS A 136
HIS A 135
HIS A  51
 None
None
GOL  A 233 (-3.7A)
MN  A 229 (-3.3A)
 0.97A 3ai8A-2pnyA:
undetectable		 3ai8A-2pnyA:
19.23
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.
2vhs CATHSILICATEIN

(Homo sapiens) 		PF00112
(Peptidase_C1) 		4 GLN A  19
GLY A  23
HIS A 163
TRP A 189
 SO4  A1221 (-3.2A)
SO4  A1221 (-3.5A)
SO4  A1221 (-3.8A)
None
 0.38A 3ai8A-2vhsA:
28.2		 3ai8A-2vhsA:
29.81
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.
2x1c ACYL-COENZYME

(Penicillium
chrysogenum) 		PF03417
(AAT) 		4 GLN A 234
GLY A 223
HIS A 252
HIS A 244
 None
 1.20A 3ai8A-2x1cA:
undetectable		 3ai8A-2x1cA:
20.22
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.
3ak1 SUPEROXIDE DISMUTASE
[MN/FE]

(Aeropyrum
pernix) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 GLY A 129
HIS A  31
HIS A  35
HIS A 150
 None
EDO  A 218 (-3.7A)
EDO  A 219 (-4.2A)
None
 1.19A 3ai8A-3ak1A:
undetectable		 3ai8A-3ak1A:
20.57
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.
3bcn ERVATAMIN-A

(Tabernaemontana
divaricata) 		PF00112
(Peptidase_C1) 		4 GLN A  19
GLY A  23
HIS A 157
TRP A 175
 E64  A 214 (-3.9A)
E64  A 214 (-2.5A)
E64  A 214 (-4.3A)
None
 0.49A 3ai8A-3bcnA:
26.0		 3ai8A-3bcnA:
28.14
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.
3bwk CYSTEINE PROTEASE
FALCIPAIN-3

(Plasmodium
falciparum) 		PF00112
(Peptidase_C1) 		4 GLN A  45
GLY A  49
HIS A 183
TRP A 215
 C1P  A 300 (-3.2A)
C1P  A 300 (-3.6A)
C1P  A 300 (-3.7A)
C1P  A 300 (-4.0A)
 0.41A 3ai8A-3bwkA:
25.0		 3ai8A-3bwkA:
27.11
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.
3cpg UNCHARACTERIZED
PROTEIN

(Bifidobacterium
adolescentis) 		PF01168
(Ala_racemase_N) 		4 GLN A 199
GLY A 162
HIS A 114
HIS A 118
 None
 0.96A 3ai8A-3cpgA:
undetectable		 3ai8A-3cpgA:
22.04
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.
3d6s ALLERGEN DER F I

(Dermatophagoides
farinae) 		PF00112
(Peptidase_C1) 		4 GLN A  29
GLY A  33
HIS A 171
TRP A 193
 None
 0.41A 3ai8A-3d6sA:
27.9		 3ai8A-3d6sA:
27.65
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.
3f75 CATHEPSIN L PROTEASE

(Toxoplasma
gondii) 		PF00112
(Peptidase_C1) 		4 GLN A  25
GLY A  29
HIS A 167
TRP A 191
 None
 0.40A 3ai8A-3f75A:
27.4		 3ai8A-3f75A:
27.10
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.
3hwn CATHEPSIN L1

(Homo sapiens) 		PF00112
(Peptidase_C1) 		4 GLN A  19
GLY A  23
HIS A 163
TRP A 189
 BD3  A 221 (-3.4A)
BD3  A 221 ( 3.9A)
BD3  A 221 (-4.6A)
None
 0.32A 3ai8A-3hwnA:
27.8		 3ai8A-3hwnA:
27.87
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.
3ioq CMS1MS2

(Vasconcellea
cundinamarcensis) 		PF00112
(Peptidase_C1) 		4 GLN A  19
GLY A  23
HIS A 159
TRP A 177
 E64  A 301 (-3.2A)
E64  A 301 ( 3.1A)
E64  A 301 (-3.8A)
EDO  A 508 (-4.7A)
 0.44A 3ai8A-3ioqA:
27.4		 3ai8A-3ioqA:
27.82
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.
3jb9 PRE-MRNA-SPLICING
FACTOR CWF2

(Schizosaccharomyces
pombe) 		PF00076
(RRM_1)
PF16131
(Torus) 		4 GLN Y  53
GLY Y 123
HIS Y 135
CYH Y 117
 None
None
ZN  Y 501 ( 3.8A)
ZN  Y 501 ( 2.3A)
 0.91A 3ai8A-3jb9Y:
undetectable		 3ai8A-3jb9Y:
14.36
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) 		4 GLN A  23
GLY A  27
HIS A 199
TRP A 221
 None
 0.58A 3ai8A-3k9mA:
39.5		 3ai8A-3k9mA:
99.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mor CATHEPSIN B-LIKE
CYSTEINE PROTEASE

(Trypanosoma
brucei) 		PF00112
(Peptidase_C1) 		5 GLN A 116
GLY A 120
HIS A 194
HIS A 282
TRP A 304
 None
 0.35A 3ai8A-3morA:
37.9		 3ai8A-3morA:
39.88
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) 		4 GLN A  72
GLY A  76
HIS A 237
TRP A 257
 None
 0.54A 3ai8A-3oisA:
22.2		 3ai8A-3oisA:
24.23
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.
3ovz CATHEPSIN K

(Homo sapiens) 		PF00112
(Peptidase_C1) 		4 GLN A  19
GLY A  23
HIS A 162
TRP A 184
 O96  A   1 (-3.0A)
O96  A   1 (-3.0A)
O96  A   1 (-3.4A)
None
 0.49A 3ai8A-3ovzA:
27.7		 3ai8A-3ovzA:
28.85
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.
3p5u ACTINIDIN

(Actinidia
arguta) 		PF00112
(Peptidase_C1) 		4 GLN A  19
GLY A  23
HIS A 162
TRP A 184
 CD  A 221 ( 4.2A)
None
CD  A 221 (-3.3A)
None
 0.35A 3ai8A-3p5uA:
27.6		 3ai8A-3p5uA:
29.28
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) 		4 GLN A 228
GLY A 232
HIS A 381
TRP A 405
 LXV  A 442 (-3.4A)
LXV  A 442 (-3.5A)
None
None
 0.51A 3ai8A-3pdfA:
29.6		 3ai8A-3pdfA:
24.20
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.
3pnr FALCIPAIN 2

(Plasmodium
falciparum) 		PF00112
(Peptidase_C1) 		4 GLN A  36
GLY A  40
HIS A 174
TRP A 206
 None
 0.43A 3ai8A-3pnrA:
26.2		 3ai8A-3pnrA:
27.97
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.
3pw3 AMINOPEPTIDASE C

(Parabacteroides
distasonis) 		PF03051
(Peptidase_C1_2) 		4 GLN A  50
GLY A  54
HIS A 340
TRP A 363
 ZN  A 406 ( 4.1A)
None
ZN  A 406 (-2.9A)
None
 0.35A 3ai8A-3pw3A:
15.6		 3ai8A-3pw3A:
21.04
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.
3qj3 CATHEPSIN L-LIKE
PROTEIN

(Tenebrio
molitor) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		4 GLN A 123
GLY A 127
HIS A 267
TRP A 289
 None
 0.47A 3ai8A-3qj3A:
25.2		 3ai8A-3qj3A:
28.78
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) 		4 GLN A 116
GLY A 120
HIS A 259
TRP A 281
 PO4  A 401 (-3.5A)
PO4  A 401 (-3.1A)
PO4  A 401 (-3.6A)
None
 0.43A 3ai8A-3qt4A:
25.5		 3ai8A-3qt4A:
25.00
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.
3rvx PEPTIDASE 1

(Dermatophagoides
pteronyssinus) 		PF00112
(Peptidase_C1) 		4 GLN A  28
GLY A  32
HIS A 170
TRP A 192
 None
 0.41A 3ai8A-3rvxA:
27.7		 3ai8A-3rvxA:
28.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3s3r CATHEPSIN B-LIKE
PEPTIDASE (C01
FAMILY)

(Schistosoma
mansoni) 		PF00112
(Peptidase_C1) 		6 GLN A  94
GLY A  98
HIS A 180
HIS A 181
HIS A 270
TRP A 292
 0IW  A 324 (-3.0A)
0IW  A 324 (-3.6A)
None
None
0IW  A 324 (-3.7A)
0IW  A 324 (-4.5A)
 0.48A 3ai8A-3s3rA:
15.8		 3ai8A-3s3rA:
57.59
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.
3tnx PAPAIN

(Carica papaya) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		4 GLN A 126
GLY A 130
HIS A 266
TRP A 284
 None
 0.47A 3ai8A-3tnxA:
25.3		 3ai8A-3tnxA:
22.89
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.
3ufk UNDA

(Shewanella sp.
HRCR_06) 		PF13435
(Cytochrome_C554) 		4 GLY A 303
HIS A 460
CYH A 386
HIS A 365
 HEC  A 903 (-3.4A)
HEC  A 904 ( 3.1A)
HEC  A 904 (-1.8A)
HEC  A 903 ( 3.1A)
 1.21A 3ai8A-3ufkA:
undetectable		 3ai8A-3ufkA:
13.55
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.
3v1v 2-METHYLISOBORNEOL
SYNTHASE

(Streptomyces
coelicolor) 		no annotation 4 GLY A 121
HIS A 124
HIS A 125
HIS A 386
 None
 1.13A 3ai8A-3v1vA:
undetectable		 3ai8A-3v1vA:
17.55
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.
3wmr PROLINE
IMINOPEPTIDASE

(Streptomyces
halstedii) 		PF00561
(Abhydrolase_1) 		4 GLN A 109
GLY A  38
HIS A 280
HIS A 277
 None
 1.22A 3ai8A-3wmrA:
undetectable		 3ai8A-3wmrA:
19.94
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.
4ffk SUPEROXIDE DISMUTASE

(Acidilobus
saccharovorans) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 GLY A 142
HIS A  43
HIS A  47
HIS A 163
 None
FE  A 301 (-3.3A)
None
None
 1.21A 3ai8A-4ffkA:
undetectable		 3ai8A-4ffkA:
20.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4i04 CATHEPSIN B-LIKE
PEPTIDASE (C01
FAMILY)

(Schistosoma
mansoni) 		PF00112
(Peptidase_C1)
PF08127
(Propeptide_C1) 		4 GLN A  94
GLY A  98
HIS A 270
TRP A 292
 None
 0.30A 3ai8A-4i04A:
38.8		 3ai8A-4i04A:
47.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4i05 CATHEPSIN B-LIKE
PEPTIDASE (C01
FAMILY)

(Schistosoma
mansoni) 		PF00112
(Peptidase_C1) 		6 GLN A  94
GLY A  98
HIS A 180
HIS A 181
HIS A 270
TRP A 292
 CSO  A 100 ( 3.5A)
CSO  A 100 ( 3.9A)
None
None
CSO  A 100 ( 4.2A)
None
 0.39A 3ai8A-4i05A:
18.8		 3ai8A-4i05A:
52.08
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) 		4 GLN A  64
GLY A  68
HIS A 364
TRP A 387
 None
 0.31A 3ai8A-4k7cA:
13.7		 3ai8A-4k7cA:
19.22
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) 		4 GLN A  19
GLY A  23
HIS A 159
TRP A 177
 BU1  A 301 (-3.1A)
BU1  A 301 (-3.2A)
BU1  A 301 (-4.1A)
ACT  A 303 ( 4.8A)
 0.59A 3ai8A-4kp9A:
26.9		 3ai8A-4kp9A:
31.84
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.
4lmh EXTRACELLULAR IRON
OXIDE RESPIRATORY
SYSTEM SURFACE
DECAHEME CYTOCHROME
C COMPONENT OMCA

(Shewanella
oneidensis) 		no annotation 4 GLN A 142
GLY A 259
HIS A 240
CYH A 253
 HEC  A 802 (-3.4A)
None
HEC  A 802 (-3.2A)
HEC  A 802 (-2.0A)
 0.71A 3ai8A-4lmhA:
undetectable		 3ai8A-4lmhA:
16.27
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.
4miv N-SULPHOGLUCOSAMINE
SULPHOHYDROLASE

(Homo sapiens) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		4 GLN A  93
HIS A  96
HIS A 368
HIS A 125
 None
None
FGP  A  70 ( 4.4A)
FGP  A  70 ( 3.7A)
 1.20A 3ai8A-4mivA:
undetectable		 3ai8A-4mivA:
18.48
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.
4okd ISOAMYLASE

(Chlamydomonas
reinhardtii) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		4 GLN A 177
GLY A 410
HIS A 176
HIS A 188
 None
 1.18A 3ai8A-4okdA:
undetectable		 3ai8A-4okdA:
13.88
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.
4q1v PUTATIVE DIPEPTIDYL
AMINOPEPTIDASE IV

(Bacteroides
ovatus) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 GLY A 605
HIS A 710
CYH A 681
TRP A 602
 None
 1.22A 3ai8A-4q1vA:
undetectable		 3ai8A-4q1vA:
17.47
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.
4q1v PUTATIVE DIPEPTIDYL
AMINOPEPTIDASE IV

(Bacteroides
ovatus) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 GLY A 606
HIS A 710
CYH A 681
TRP A 602
 None
 1.19A 3ai8A-4q1vA:
undetectable		 3ai8A-4q1vA:
17.47
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.
4qh6 CRUZIPAIN

(Trypanosoma
cruzi) 		PF00112
(Peptidase_C1) 		4 GLN A  19
GLY A  23
HIS A 162
TRP A 184
 33L  A 301 (-3.7A)
33L  A 301 (-3.7A)
33L  A 301 (-4.7A)
None
 0.28A 3ai8A-4qh6A:
27.2		 3ai8A-4qh6A:
28.91
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.
4wcj POLYSACCHARIDE
DEACETYLASE

(Ammonifex
degensii) 		PF01522
(Polysacc_deac_1) 		4 GLY A 225
HIS A  44
CYH A  42
HIS A 178
 None
None
None
ZN  A 301 (-3.3A)
 1.08A 3ai8A-4wcjA:
undetectable		 3ai8A-4wcjA:
19.32
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) 		4 GLN A  19
GLY A  23
HIS A 160
TRP A 182
 None
 0.41A 3ai8A-4yyqA:
26.6		 3ai8A-4yyqA:
31.94
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) 		4 GLN A  19
GLY A  23
HIS A 162
TRP A 184
 None
 0.39A 3ai8A-4yysA:
26.6		 3ai8A-4yysA:
31.32
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) 		4 GLN A  19
GLY A  23
HIS A 162
TRP A 184
 None
 0.42A 3ai8A-4yywA:
26.5		 3ai8A-4yywA:
31.94
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) 		4 GLN A  20
GLY A  24
HIS A 165
TRP A 189
 E64  A1224 (-3.2A)
E64  A1224 (-3.1A)
E64  A1224 (-3.8A)
None
 0.50A 3ai8A-5a24A:
27.6		 3ai8A-5a24A:
30.80
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.
5egw CYSTEINE PROTEASE

(Ambrosia
artemisiifolia) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		4 GLN A 149
GLY A 153
HIS A 289
TRP A 312
 None
 0.63A 3ai8A-5egwA:
24.6		 3ai8A-5egwA:
21.92
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.
5hxb PROTEIN CEREBLON

(Homo sapiens) 		no annotation 4 GLN Z 100
GLY Z 354
HIS Z  57
HIS Z 378
 None
None
None
85C  Z 502 (-3.8A)
 0.87A 3ai8A-5hxbZ:
undetectable		 3ai8A-5hxbZ:
18.48
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.
5i4h CATHEPSIN L1

(Homo sapiens) 		PF00112
(Peptidase_C1) 		4 GLN A  19
GLY A  23
HIS B 163
TRP B 189
 None
 0.37A 3ai8A-5i4hA:
8.8		 3ai8A-5i4hA:
18.36
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.
5ip9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1
DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Saccharomyces
cerevisiae) 		PF00562
(RNA_pol_Rpb2_6)
PF00623
(RNA_pol_Rpb1_2)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		4 GLN A 510
HIS A 451
CYH A 520
HIS B1141
 None
 1.20A 3ai8A-5ip9A:
undetectable		 3ai8A-5ip9A:
8.81
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.
5jt8 BLO T 1 ALLERGEN

(Blomia
tropicalis) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		4 GLN A 113
GLY A 117
HIS A 263
TRP A 285
 CSO  A 119 ( 3.6A)
CSO  A 119 ( 3.9A)
CSO  A 119 ( 4.0A)
None
 0.42A 3ai8A-5jt8A:
24.8		 3ai8A-5jt8A:
22.91
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.
5l44 K-26 DIPEPTIDYL
CARBOXYPEPTIDASE

(Astrosporangium
hypotensionis) 		PF01432
(Peptidase_M3) 		4 GLN A  45
GLY A  72
HIS A 113
HIS A 108
 None
 1.23A 3ai8A-5l44A:
undetectable		 3ai8A-5l44A:
16.39
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.
5odr METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
A
METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
G

(Methanothermococcus
thermolithotrophicus) 		PF00374
(NiFeSe_Hases)
PF01058
(Oxidored_q6) 		4 GLY E  58
HIS F  15
HIS E  16
TRP E   8
 SF4  E 302 ( 4.9A)
None
None
None
 0.84A 3ai8A-5odrE:
undetectable		 3ai8A-5odrE:
21.71
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.
5ol2 ELECTRON TRANSFER
FLAVOPROTEIN LARGE
SUBUNIT
ELECTRON TRANSFER
FLAVOPROTEIN SMALL
SUBUNIT

(Clostridioides
difficile) 		no annotation 4 GLY A 115
HIS B 139
HIS A 113
TRP B 100
 None
 1.13A 3ai8A-5ol2A:
undetectable		 3ai8A-5ol2A:
21.20
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.
5t6u CATHEPSIN K

(Mus musculus) 		PF00112
(Peptidase_C1) 		4 GLN A  19
GLY A  23
HIS A 162
TRP A 184
 None
 0.35A 3ai8A-5t6uA:
28.1		 3ai8A-5t6uA:
28.24
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.
5zm4 DIOXYGENASE ANDA

(Aspergillus
stellatus) 		no annotation 4 GLN A 132
GLY A 215
HIS A  74
HIS A  79
 AKG  A 302 (-3.1A)
AKG  A 302 (-3.5A)
None
AKG  A 302 (-4.2A)
 1.16A 3ai8A-5zm4A:
undetectable		 3ai8A-5zm4A:
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.
6bdt CALPAIN-3

(Homo sapiens) 		no annotation 4 GLN A 123
GLY A 127
HIS A 334
TRP A 360
 None
 0.47A 3ai8A-6bdtA:
7.2		 3ai8A-6bdtA:
15.42
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 4 GLN A 135
GLY A 139
HIS A 281
TRP A 303
 None
 0.43A 3ai8A-6czsA:
26.3		 3ai8A-6czsA:
undetectable