SIMILAR PATTERNS OF AMINO ACIDS FOR 4JTP_A_ASCA802_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.
1aha ALPHA-MOMORCHARIN

(Momordica
charantia) 		PF00161
(RIP) 		4 ILE A  71
ASN A 110
TYR A 111
ILE A 155
 ADE  A 339 (-3.9A)
None
ADE  A 339 ( 3.6A)
ADE  A 339 (-4.1A)
 0.22A 4jtpA-1ahaA:
43.9		 4jtpA-1ahaA:
94.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1bry BRYODIN I

(Bryonia dioica) 		PF00161
(RIP) 		5 TYR Y  70
ILE Y  71
ASN Y 110
TYR Y 111
ILE Y 155
 None
 0.59A 4jtpA-1bryY:
41.7		 4jtpA-1bryY:
66.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1cf5 PROTEIN
(BETA-MOMORCHARIN)

(Momordica
charantia) 		PF00161
(RIP) 		4 TYR A  70
ASN A 108
TYR A 109
ILE A 153
 None
 0.68A 4jtpA-1cf5A:
38.2		 4jtpA-1cf5A:
52.00
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.
1cpc C-PHYCOCYANIN (ALPHA
SUBUNIT)

(Microchaete
diplosiphon) 		PF00502
(Phycobilisome) 		4 ILE A 115
ASN A 171
TYR A 168
ILE A 112
 None
 1.06A 4jtpA-1cpcA:
undetectable		 4jtpA-1cpcA:
20.56
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.
1dxl DIHYDROLIPOAMIDE
DEHYDROGENASE

(Pisum sativum) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 TYR A 117
ILE A  35
ASN A 285
ILE A  12
 FAD  A 480 (-3.7A)
None
None
None
 0.87A 4jtpA-1dxlA:
0.0		 4jtpA-1dxlA:
21.15
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.
1ejx UREASE GAMMA SUBUNIT

(Klebsiella
aerogenes) 		PF00547
(Urease_gamma) 		4 ILE A3099
ASN A3031
TYR A3032
ILE A3077
 None
 1.08A 4jtpA-1ejxA:
0.0		 4jtpA-1ejxA:
18.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hwn EBULIN

(Sambucus ebulus) 		PF00161
(RIP) 		4 TYR A  77
ASN A 115
TYR A 116
ILE A 158
 None
 0.52A 4jtpA-1hwnA:
32.6		 4jtpA-1hwnA:
38.15
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.
1mab PROTEIN (F1-ATPASE
BETA CHAIN)

(Rattus
norvegicus) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		4 ILE B 102
ASN B 194
TYR B 197
ILE B  94
 None
 0.93A 4jtpA-1mabB:
undetectable		 4jtpA-1mabB:
20.43
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.
1mqs SLY1 PROTEIN

(Saccharomyces
cerevisiae) 		PF00995
(Sec1) 		4 ILE A 109
ASN A 127
TYR A 100
ILE A 112
 None
 1.03A 4jtpA-1mqsA:
undetectable		 4jtpA-1mqsA:
17.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nio B-LUFFIN

(Luffa
aegyptiaca) 		PF00161
(RIP) 		5 TYR A  71
ILE A  72
ASN A 110
TYR A 111
ILE A 155
 None
 0.50A 4jtpA-1nioA:
40.9		 4jtpA-1nioA:
68.83
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.
1q0f SUPEROXIDE DISMUTASE
[NI]

(Streptomyces
seoulensis) 		PF09055
(Sod_Ni) 		4 TYR A 103
ILE A 104
ASN A  79
ILE A 107
 None
 0.95A 4jtpA-1q0fA:
undetectable		 4jtpA-1q0fA:
16.33
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.
1qox BETA-GLUCOSIDASE

(Bacillus
circulans) 		PF00232
(Glyco_hydro_1) 		4 TYR A 352
ILE A 293
ASN A 395
ILE A 291
 None
 1.07A 4jtpA-1qoxA:
undetectable		 4jtpA-1qoxA:
19.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1tcs TRICHOSANTHIN

(Trichosanthes
kirilowii) 		PF00161
(RIP) 		5 TYR A  70
ILE A  71
ASN A 110
TYR A 111
ILE A 155
 NDP  A 280 ( 4.7A)
NDP  A 280 (-4.5A)
None
NDP  A 280 ( 3.7A)
NDP  A 280 (-3.9A)
 0.31A 4jtpA-1tcsA:
40.4		 4jtpA-1tcsA:
64.23
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.
1tz9 MANNONATE
DEHYDRATASE

(Enterococcus
faecalis) 		PF03786
(UxuA) 		4 TYR A 347
ILE A 343
TYR A 310
ILE A 314
 None
 0.92A 4jtpA-1tz9A:
undetectable		 4jtpA-1tz9A:
22.67
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.
1tzs CATHEPSIN E

(Homo sapiens) 		PF00026
(Asp) 		4 ILE A  41
ASN A  19
TYR A  86
ILE A 131
 None
 1.04A 4jtpA-1tzsA:
undetectable		 4jtpA-1tzsA:
20.39
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.
1wlc CONGERIN II

(Conger
myriaster) 		PF00337
(Gal-bind_lectin) 		4 TYR A  98
ILE A  99
ASN A 111
ILE A  90
 None
 1.05A 4jtpA-1wlcA:
undetectable		 4jtpA-1wlcA:
20.80
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.
1xm7 HYPOTHETICAL PROTEIN
AQ_1665

(Aquifex
aeolicus) 		PF12850
(Metallophos_2) 		4 TYR A 133
ILE A 132
ASN A 137
ILE A  99
 None
 1.01A 4jtpA-1xm7A:
undetectable		 4jtpA-1xm7A:
22.93
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.
1yz4 DUAL SPECIFICITY
PHOSPHATASE-LIKE 15
ISOFORM A

(Homo sapiens) 		PF00782
(DSPc) 		4 TYR A 102
ILE A  98
ASN A  72
ILE A  35
 None
 0.92A 4jtpA-1yz4A:
undetectable		 4jtpA-1yz4A:
20.54
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.
1zl6 BOTULINUM NEUROTOXIN
TYPE E

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		4 TYR A 368
ILE A 367
ASN A 375
ILE A 394
 None
 1.04A 4jtpA-1zl6A:
undetectable		 4jtpA-1zl6A:
21.43
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.
2boa CARBOXYPEPTIDASE A4

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		4 ILE A1018
ASN A1008
TYR A1009
ILE A1080
 None
 0.90A 4jtpA-2boaA:
undetectable		 4jtpA-2boaA:
17.78
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.
2buc DIPEPTIDYL PEPTIDASE
IV

(Sus scrofa) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 TYR A 135
ILE A 134
ASN A 138
ILE A 143
 None
 1.06A 4jtpA-2bucA:
undetectable		 4jtpA-2bucA:
15.24
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.
2eiz ANTI-LYSOZYME
ANTIBODY FV REGION

(Homo sapiens) 		PF07686
(V-set) 		4 TYR B  50
ASN B  60
TYR B  59
ILE B  69
 None
 1.05A 4jtpA-2eizB:
undetectable		 4jtpA-2eizB:
19.15
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.
2ej9 PUTATIVE BIOTIN
LIGASE

(Methanocaldococcus
jannaschii) 		PF02237
(BPL_C)
PF03099
(BPL_LplA_LipB) 		4 TYR A 184
ILE A  74
ASN A  69
ILE A 180
 None
 1.04A 4jtpA-2ej9A:
undetectable		 4jtpA-2ej9A:
22.14
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.
2fz0 V-SNARE COMPONENT OF
THE VACUOLAR SNARE
COMPLEX INVOLVED IN
VESICLE FUSION
INHIBITS
ATP-DEPENDENT CA(2+)
TRANSPORT ACTIVITY
OF PMC1P IN THE
VACUOLAR MEMBRANE
NYV1P

(Saccharomyces
cerevisiae) 		PF09426
(Nyv1_N) 		4 ILE A 108
ASN A 118
TYR A 115
ILE A 131
 None
 0.95A 4jtpA-2fz0A:
undetectable		 4jtpA-2fz0A:
23.98
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.
2gmu PUTATIVE
PYRIDOXAMINE
5-PHOSPHATE-DEPENDEN
T DEHYDRASE, WBDK

(Escherichia
coli) 		PF01041
(DegT_DnrJ_EryC1) 		4 TYR A 206
ILE A 205
ASN A 225
ILE A 208
 None
 1.02A 4jtpA-2gmuA:
undetectable		 4jtpA-2gmuA:
19.24
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.
2jqj DNA DAMAGE RESPONSE
PROTEIN KINASE DUN1

(Saccharomyces
cerevisiae) 		PF00498
(FHA) 		4 ILE A 125
ASN A  96
TYR A 117
ILE A 107
 None
 1.04A 4jtpA-2jqjA:
undetectable		 4jtpA-2jqjA:
17.48
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.
2nux 2-KETO-3-DEOXYGLUCON
ATE/2-KETO-3-DEOXY-6
-PHOSPHO GLUCONATE
ALDOLASE

(Sulfolobus
acidocaldarius) 		PF00701
(DHDPS) 		4 TYR A 129
ILE A 128
ASN A 156
ILE A 152
 None
 1.05A 4jtpA-2nuxA:
undetectable		 4jtpA-2nuxA:
23.61
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.
2oae DIPEPTIDYL PEPTIDASE
4

(Rattus
norvegicus) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 TYR A 133
ILE A 132
ASN A 136
ILE A 141
 None
 0.90A 4jtpA-2oaeA:
undetectable		 4jtpA-2oaeA:
15.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oqa LUFFACULIN 1

(Luffa
acutangula) 		PF00161
(RIP) 		4 ILE A  71
ASN A 109
TYR A 110
ILE A 154
 None
 0.63A 4jtpA-2oqaA:
40.7		 4jtpA-2oqaA:
69.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oqa LUFFACULIN 1

(Luffa
acutangula) 		PF00161
(RIP) 		4 TYR A  70
ILE A  71
TYR A 110
ILE A 154
 None
 0.35A 4jtpA-2oqaA:
40.7		 4jtpA-2oqaA:
69.55
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.
2p7j PUTATIVE SENSORY
BOX/GGDEF FAMILY
PROTEIN

(Vibrio
parahaemolyticus) 		PF02743
(dCache_1) 		4 TYR A  96
ILE A  94
ASN A  74
ILE A  81
 None
 1.06A 4jtpA-2p7jA:
undetectable		 4jtpA-2p7jA:
22.22
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.
2pcu CARBOXYPEPTIDASE A4

(Homo sapiens) 		PF00246
(Peptidase_M14) 		4 ILE A  18
ASN A   8
TYR A   9
ILE A  80
 None
 0.78A 4jtpA-2pcuA:
undetectable		 4jtpA-2pcuA:
19.81
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.
2qcv PUTATIVE
5-DEHYDRO-2-DEOXYGLU
CONOKINASE

(Bacillus
halodurans) 		PF00294
(PfkB) 		4 TYR A 260
ILE A 301
TYR A 294
ILE A 318
 None
 1.05A 4jtpA-2qcvA:
undetectable		 4jtpA-2qcvA:
24.00
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.
2qv3 VACUOLATING
CYTOTOXIN

(Helicobacter
pylori) 		PF02691
(VacA) 		4 TYR A 767
ILE A 769
ASN A 764
ILE A 746
 None
 1.04A 4jtpA-2qv3A:
undetectable		 4jtpA-2qv3A:
20.79
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.
2uun C-PHYCOCYANIN

(Leptolyngbya
sp.) 		PF00502
(Phycobilisome) 		4 ILE A 115
ASN A 159
TYR A 156
ILE A 112
 None
 1.06A 4jtpA-2uunA:
undetectable		 4jtpA-2uunA:
22.80
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.
2wa0 MELANOMA-ASSOCIATED
ANTIGEN 4

(Homo sapiens) 		PF01454
(MAGE) 		4 TYR A 144
ILE A 141
ASN A 112
ILE A 151
 None
 1.00A 4jtpA-2wa0A:
undetectable		 4jtpA-2wa0A:
20.16
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.
2xf4 HYDROXYACYLGLUTATHIO
NE HYDROLASE

(Salmonella
enterica) 		PF00753
(Lactamase_B) 		4 TYR A   3
ILE A  18
ASN A  14
ILE A 148
 None
 1.02A 4jtpA-2xf4A:
undetectable		 4jtpA-2xf4A:
19.38
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.
2zs6 HEMAGGLUTININ
COMPONENTS HA3

(Clostridium
botulinum) 		PF03505
(Clenterotox) 		4 TYR A 124
ILE A 126
TYR A  69
ILE A  80
 None
 1.05A 4jtpA-2zs6A:
undetectable		 4jtpA-2zs6A:
21.67
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.
3ajy ANCESTRAL CONGERIN
CON-ANC

(-) 		PF00337
(Gal-bind_lectin) 		4 TYR A  97
ILE A  98
ASN A 110
ILE A  89
 None
 1.05A 4jtpA-3ajyA:
undetectable		 4jtpA-3ajyA:
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.
3ajz ANCESTRAL CONGERIN
CON-ANC

(-) 		PF00337
(Gal-bind_lectin) 		4 TYR A  95
ILE A  96
ASN A 108
ILE A  87
 None
 1.05A 4jtpA-3ajzA:
undetectable		 4jtpA-3ajzA:
17.93
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.
3ayx MEMBRANE-BOUND
HYDROGENASE SMALL
SUBUNIT

(Hydrogenovibrio
marinus) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		4 ILE B  16
ASN B  76
TYR B  73
ILE B  69
 None
 1.04A 4jtpA-3ayxB:
undetectable		 4jtpA-3ayxB:
20.46
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.
3b4q UNCHARACTERIZED
PROTEIN

(Corynebacterium
diphtheriae) 		PF11574
(DUF3235) 		4 TYR A 183
ILE A 179
ASN A 162
ILE A 175
 None
 0.86A 4jtpA-3b4qA:
undetectable		 4jtpA-3b4qA:
16.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bwh CUCURMOSIN

(Cucurbita
moschata) 		PF00161
(RIP) 		5 TYR A  70
ILE A  71
ASN A 108
TYR A 109
ILE A 153
 EDO  A 253 ( 4.5A)
None
None
EDO  A 253 ( 4.1A)
EDO  A 253 ( 4.1A)
 0.57A 4jtpA-3bwhA:
39.3		 4jtpA-3bwhA:
58.54
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.
3d9a HEAVY CHAIN OF
HYHEL10 ANTIBODY
FRAGMENT (FAB)

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 TYR H 350
ASN H 360
TYR H 359
ILE H 369
 TYR  H 350 ( 1.3A)
ASN  H 360 ( 0.6A)
TYR  H 359 ( 1.3A)
ILE  H 369 ( 0.7A)
 1.00A 4jtpA-3d9aH:
undetectable		 4jtpA-3d9aH:
22.96
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.
3ddd PUTATIVE
ACETYLTRANSFERASE

(Pyrococcus
horikoshii) 		PF00583
(Acetyltransf_1) 		4 ILE A 221
ASN A 226
TYR A 260
ILE A 263
 None
 1.06A 4jtpA-3dddA:
undetectable		 4jtpA-3dddA:
25.08
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.
3dy5 ALLENE OXIDE
SYNTHASE-LIPOXYGENAS
E PROTEIN

(Plexaura
homomalla) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 TYR A 471
ILE A 439
TYR A 376
ILE A 398
 None
 1.02A 4jtpA-3dy5A:
undetectable		 4jtpA-3dy5A:
13.20
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.
3etv PROTEIN TRANSPORT
PROTEIN TIP20,
PROTEIN TRANSPORT
PROTEIN DSL1 CHIMERA

(Saccharomyces
cerevisiae) 		PF11988
(Dsl1_N) 		4 ILE A  77
ASN A 106
TYR A 109
ILE A 120
 None
 1.08A 4jtpA-3etvA:
undetectable		 4jtpA-3etvA:
24.31
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.
3fhl PUTATIVE
OXIDOREDUCTASE

(Bacteroides
fragilis) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 ILE A 182
ASN A 176
TYR A 175
ILE A 336
 None
 1.07A 4jtpA-3fhlA:
undetectable		 4jtpA-3fhlA:
23.34
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.
3g7g UPF0311 PROTEIN
CA_C3321

(Clostridium
acetobutylicum) 		PF11578
(DUF3237) 		4 TYR A  88
ILE A  87
ASN A  91
ILE A  79
 None
 0.91A 4jtpA-3g7gA:
undetectable		 4jtpA-3g7gA:
21.12
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.
3ga2 ENDONUCLEASE V

(Bacillus
subtilis) 		PF04493
(Endonuclease_5) 		4 ILE A 170
ASN A 124
TYR A 123
ILE A 150
 None
 1.08A 4jtpA-3ga2A:
undetectable		 4jtpA-3ga2A:
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.
3hje 704AA LONG
HYPOTHETICAL
GLYCOSYLTRANSFERASE

(Sulfurisphaera
tokodaii) 		PF00128
(Alpha-amylase)
PF09196
(DUF1953) 		4 ILE A 321
ASN A 328
TYR A 329
ILE A 318
 None
 1.06A 4jtpA-3hjeA:
undetectable		 4jtpA-3hjeA:
14.69
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.
3j9t V-TYPE PROTON ATPASE
SUBUNIT F

(Saccharomyces
cerevisiae) 		PF01990
(ATP-synt_F) 		4 ILE N  77
ASN N  70
TYR N  40
ILE N  50
 None
 1.02A 4jtpA-3j9tN:
undetectable		 4jtpA-3j9tN:
18.78
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.
3ks7 PUTATIVE PUTATIVE
PNGASE F

(Bacteroides
fragilis) 		PF09112
(N-glycanase_N)
PF09113
(N-glycanase_C) 		4 TYR A 163
ILE A 160
ASN A  94
TYR A 217
 None
 0.97A 4jtpA-3ks7A:
undetectable		 4jtpA-3ks7A:
21.77
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.
3lg7 4E10_S0_1EZ3A_002_C
(T246)

(synthetic
construct) 		PF00804
(Syntaxin) 		4 TYR A  18
ILE A  19
ASN A  62
ILE A  22
 None
 0.91A 4jtpA-3lg7A:
undetectable		 4jtpA-3lg7A:
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.
3pdg FIBRONECTIN(III)-LIK
E MODULE

(Ruminiclostridium
thermocellum) 		no annotation 4 ILE A  43
ASN A  64
TYR A  63
ILE A  55
 None
 1.08A 4jtpA-3pdgA:
undetectable		 4jtpA-3pdgA:
18.70
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.
3prx COBRA VENOM FACTOR

(Naja kaouthia) 		PF00207
(A2M)
PF01759
(NTR)
PF01821
(ANATO)
PF01835
(A2M_N)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl) 		4 TYR B 213
ILE B 199
TYR B 210
ILE B 130
 None
 0.98A 4jtpA-3prxB:
undetectable		 4jtpA-3prxB:
9.89
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.
3psg PEPSINOGEN

(Sus scrofa) 		PF00026
(Asp)
PF07966
(A1_Propeptide) 		4 ILE A  30
ASN A   8
TYR A  75
ILE A 120
 None
 1.01A 4jtpA-3psgA:
undetectable		 4jtpA-3psgA:
21.98
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.
3qv2 5-CYTOSINE DNA
METHYLTRANSFERASE

(Entamoeba
histolytica) 		PF00145
(DNA_methylase) 		4 TYR A 245
ILE A 244
ASN A 265
ILE A 219
 None
 0.98A 4jtpA-3qv2A:
undetectable		 4jtpA-3qv2A:
20.06
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.
3r7w GTP-BINDING PROTEIN
GTR2

(Saccharomyces
cerevisiae) 		PF04670
(Gtr1_RagA) 		4 TYR B 111
ILE B 107
ASN B 114
ILE B 119
 None
 1.04A 4jtpA-3r7wB:
undetectable		 4jtpA-3r7wB:
21.96
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.
3rmg OCTAPRENYL-DIPHOSPHA
TE SYNTHASE

(Bacteroides
thetaiotaomicron) 		PF00348
(polyprenyl_synt) 		4 TYR A 292
ILE A 289
TYR A 164
ILE A 210
 None
 1.01A 4jtpA-3rmgA:
undetectable		 4jtpA-3rmgA:
21.82
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.
3tc9 HYPOTHETICAL
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF01833
(TIG) 		4 TYR A 235
ILE A 236
ASN A 233
ILE A 221
 None
 1.06A 4jtpA-3tc9A:
undetectable		 4jtpA-3tc9A:
19.82
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.
3tpf ORNITHINE
CARBAMOYLTRANSFERASE

(Campylobacter
jejuni) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 ILE A 182
ASN A 156
TYR A 123
ILE A 186
 None
 0.95A 4jtpA-3tpfA:
undetectable		 4jtpA-3tpfA:
21.15
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.
3ty7 PUTATIVE ALDEHYDE
DEHYDROGENASE
SAV2122

(Staphylococcus
aureus) 		PF00171
(Aldedh) 		4 TYR A 359
ILE A 321
ASN A  26
ILE A 322
 None
 1.06A 4jtpA-3ty7A:
undetectable		 4jtpA-3ty7A:
18.03
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.
3ubc HEMOGLOBIN-LIKE
FLAVOPROTEIN

(Methylacidiphilum
infernorum) 		PF00042
(Globin) 		4 TYR A 106
ILE A 103
ASN A  22
ILE A  17
 None
 0.93A 4jtpA-3ubcA:
undetectable		 4jtpA-3ubcA:
18.72
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.
3uow GMP SYNTHETASE

(Plasmodium
falciparum) 		PF00117
(GATase)
PF00958
(GMP_synt_C)
PF02540
(NAD_synthase) 		4 TYR A 520
ILE A 522
TYR A 542
ILE A 518
 None
 1.06A 4jtpA-3uowA:
undetectable		 4jtpA-3uowA:
19.02
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.
3win HA3

(Clostridium
botulinum) 		PF03505
(Clenterotox) 		4 TYR D 128
ILE D 130
TYR D  73
ILE D  84
 None
 1.00A 4jtpA-3winD:
undetectable		 4jtpA-3winD:
23.85
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.
3zc4 SSO1398

(Sulfolobus
solfataricus) 		no annotation 4 TYR A 102
ILE A 106
ASN A  97
ILE A  94
 None
 0.97A 4jtpA-3zc4A:
undetectable		 4jtpA-3zc4A:
20.40
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.
4cak INTEGRIN BETA-3

(Homo sapiens) 		PF00362
(Integrin_beta)
PF07965
(Integrin_B_tail)
PF07974
(EGF_2)
PF17205
(PSI_integrin) 		4 TYR B 348
ILE B 344
ASN B 305
ILE B 114
 None
 1.09A 4jtpA-4cakB:
undetectable		 4jtpA-4cakB:
16.45
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.
4dws CHI2

(Yersinia
entomophaga) 		PF00704
(Glyco_hydro_18) 		4 ILE A 419
ASN A 407
TYR A 369
ILE A 394
 None
MLZ  A 405 ( 4.7A)
None
None
 1.04A 4jtpA-4dwsA:
undetectable		 4jtpA-4dwsA:
18.82
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.
4eo4 THREONINE--TRNA
LIGASE,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		4 ILE A 226
ASN A 223
TYR A 207
ILE A 276
 None
 0.96A 4jtpA-4eo4A:
undetectable		 4jtpA-4eo4A:
18.47
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.
4gkp SPINDLE POLE
BODY-ASSOCIATED
PROTEIN VIK1

([Candida]
glabrata) 		PF16796
(Microtub_bd) 		4 ILE A 559
ASN A 342
TYR A 343
ILE A 330
 None
 0.94A 4jtpA-4gkpA:
undetectable		 4jtpA-4gkpA:
22.59
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.
4ifq NUCLEOPORIN NUP192

(Saccharomyces
cerevisiae) 		PF11894
(Nup192) 		4 TYR A 837
ILE A 840
ASN A 919
ILE A 872
 None
 0.97A 4jtpA-4ifqA:
undetectable		 4jtpA-4ifqA:
13.83
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.
4ix9 V-TYPE PROTON ATPASE
SUBUNIT F

(Saccharomyces
cerevisiae) 		PF01990
(ATP-synt_F) 		4 ILE A  77
ASN A  70
TYR A  40
ILE A  50
 None
 1.01A 4jtpA-4ix9A:
undetectable		 4jtpA-4ix9A:
18.15
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.
4jxr ACETYLTRANSFERASE

(Sinorhizobium
meliloti) 		PF13420
(Acetyltransf_4) 		4 TYR A  89
ILE A  19
TYR A  55
ILE A  16
 None
 1.07A 4jtpA-4jxrA:
undetectable		 4jtpA-4jxrA:
22.77
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.
4mxv ANTI-LYMPHOTOXIN
ALPHA ANTIBODY HEAVY
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 TYR F  50
ASN F  60
TYR F  59
ILE F  69
 None
 0.94A 4jtpA-4mxvF:
undetectable		 4jtpA-4mxvF:
22.78
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.
4o2l GTP-BINDING PROTEIN
RHEB

(Mus musculus) 		PF00071
(Ras) 		4 TYR A  81
ILE A  82
ASN A  79
ILE A 163
 None
 0.99A 4jtpA-4o2lA:
undetectable		 4jtpA-4o2lA:
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.
4sgb POTATO INHIBITOR,
PCI-1

(Solanum
tuberosum) 		PF02428
(Prot_inhib_II) 		4 TYR I  46
ILE I  44
ASN I  19
ILE I  23
 None
 0.84A 4jtpA-4sgbI:
undetectable		 4jtpA-4sgbI:
10.85
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.
4sli INTRAMOLECULAR
TRANS-SIALIDASE

(Macrobdella
decora) 		PF02973
(Sialidase)
PF13088
(BNR_2) 		4 ILE A 440
ASN A 458
TYR A 457
ILE A 434
 None
 1.05A 4jtpA-4sliA:
undetectable		 4jtpA-4sliA:
16.54
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.
4wat PFRH5

(Plasmodium
falciparum) 		no annotation 4 TYR A 406
ILE A 410
ASN A 492
ILE A 413
 None
 0.98A 4jtpA-4watA:
undetectable		 4jtpA-4watA:
17.89
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.
4xzw ENDO-GLUCANASE
CHIMERA C10

(uncultured
bacterium;
Geobacillus sp.
70PC53) 		PF00150
(Cellulase) 		4 TYR A 137
ILE A 139
ASN A 196
ILE A 161
 None
 1.06A 4jtpA-4xzwA:
undetectable		 4jtpA-4xzwA:
21.47
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.
4yc2 THE ANTIBODY A32 FAB
HEAVY CHAIN.

(Homo sapiens) 		no annotation 4 TYR H  50
ASN H  60
TYR H  59
ILE H  69
 None
 0.89A 4jtpA-4yc2H:
undetectable		 4jtpA-4yc2H:
23.42
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.
4yfv VIOF

(Providencia
alcalifaciens) 		PF00551
(Formyl_trans_N) 		4 ILE A  72
ASN A 165
TYR A 134
ILE A  91
 None
 0.89A 4jtpA-4yfvA:
undetectable		 4jtpA-4yfvA:
20.80
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.
4zkt BONTOXILYSIN A

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N) 		4 TYR A 369
ILE A 368
ASN A 376
ILE A 395
 None
 1.05A 4jtpA-4zktA:
undetectable		 4jtpA-4zktA:
11.91
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.
5cay ENVELOPE
GLYCOPROTEIN GP120
CORE FROM ST STRAIN
OF HIV-2

(Human
immunodeficiency
virus 2) 		PF00516
(GP120) 		4 TYR G 287
ILE G 288
ASN G 302
ILE G 299
 None
None
NAG  G 610 (-3.3A)
None
 0.98A 4jtpA-5cayG:
undetectable		 4jtpA-5cayG:
21.76
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.
5cq9 SECRETED EFFECTOR
PROTEIN SOPD2

(Salmonella
enterica) 		PF11047
(SopD) 		4 TYR A 299
ILE A 298
ASN A 303
ILE A 308
 None
 0.89A 4jtpA-5cq9A:
undetectable		 4jtpA-5cq9A:
20.30
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.
5cqr ELONGATOR COMPLEX
PROTEIN 1

(Homo sapiens) 		PF04762
(IKI3) 		4 ILE A 947
ASN A 972
TYR A 971
ILE A 965
 None
 0.86A 4jtpA-5cqrA:
undetectable		 4jtpA-5cqrA:
20.10
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.
5e04 NUCLEOPROTEIN

(Andes
orthohantavirus) 		PF00846
(Hanta_nucleocap) 		4 TYR A 383
ILE A 381
ASN A 261
TYR A 264
 None
 1.02A 4jtpA-5e04A:
undetectable		 4jtpA-5e04A:
19.73
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.
5e2w AT8 HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 TYR H  51
ASN H  61
TYR H  60
ILE H  70
 None
 1.04A 4jtpA-5e2wH:
undetectable		 4jtpA-5e2wH:
20.93
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.
5egn ESTERASE

(uncultured
bacterium) 		PF12697
(Abhydrolase_6) 		4 TYR A  12
ILE A  11
ASN A  31
ILE A  51
 None
 1.07A 4jtpA-5egnA:
undetectable		 4jtpA-5egnA:
21.99
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.
5fpr DNA LIGASE

(Staphylococcus
aureus) 		PF01653
(DNA_ligase_aden) 		4 ILE A 102
ASN A 285
TYR A 107
ILE A  98
 None
 0.92A 4jtpA-5fprA:
undetectable		 4jtpA-5fprA:
20.92
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.
5k59 UNCHARACTERIZED
LEUKOCIDIN-LIKE
PROTEIN 2

(Staphylococcus
aureus) 		no annotation 4 ILE D  60
ASN D 269
TYR D 111
ILE D  87
 None
 1.08A 4jtpA-5k59D:
undetectable		 4jtpA-5k59D:
21.28
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.
5l7n PLEXIN-A1

(Mus musculus) 		PF01833
(TIG) 		4 ILE A1024
ASN A1041
TYR A1042
ILE A 994
 None
NAG  A1303 (-1.9A)
None
None
 0.94A 4jtpA-5l7nA:
undetectable		 4jtpA-5l7nA:
22.76
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.
5lac 3CL PROTEASE

(Alphamesonivirus
1) 		PF17222
(Peptidase_C107) 		4 TYR A  44
ILE A  45
ASN A 205
ILE A  90
 None
 0.97A 4jtpA-5lacA:
undetectable		 4jtpA-5lacA:
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.
5n72 WIPA

(Legionella
pneumophila) 		no annotation 4 TYR A 364
ILE A 363
ASN A 351
ILE A 346
 None
 1.05A 4jtpA-5n72A:
undetectable		 4jtpA-5n72A:
20.58
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.
5ng6 CRISPR-ASSOCIATED
ENDONUCLEASE CPF1

(Francisella
tularensis) 		no annotation 4 TYR A 307
ILE A 304
ASN A 230
TYR A 231
 None
 1.01A 4jtpA-5ng6A:
undetectable		 4jtpA-5ng6A:
11.39
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.
5nxy OSMOTICALLY
ACTIVATED
L-CARNITINE/CHOLINE
ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN OPUCC

(Bacillus
subtilis) 		no annotation 4 TYR A 267
ILE A  18
TYR A 103
ILE A  19
 None
 1.02A 4jtpA-5nxyA:
undetectable		 4jtpA-5nxyA:
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.
5wh8 PUTATIVE
CARBOHYDRATE-ACTIVE
ENZYME

(uncultured
organism) 		no annotation 4 TYR A 191
ILE A 193
ASN A 250
ILE A 215
 None
 1.06A 4jtpA-5wh8A:
undetectable		 4jtpA-5wh8A:
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.
5z7h LYSR FAMILY
TRANSCRIPTIONAL
REGULATOR

(Staphylococcus
aureus) 		no annotation 4 TYR A 196
ILE A 192
ASN A 199
ILE A 228
 None
 0.96A 4jtpA-5z7hA:
undetectable		 4jtpA-5z7hA:
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.
6b3r PIEZO-TYPE
MECHANOSENSITIVE ION
CHANNEL COMPONENT 1

(Mus musculus) 		no annotation 4 ILE A1029
ASN A1035
TYR A1036
ILE A1020
 None
 1.03A 4jtpA-6b3rA:
undetectable		 4jtpA-6b3rA:
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.
6fg9 -

(-) 		no annotation 4 ILE A 445
ASN A 413
TYR A 412
ILE A 443
 None
 1.07A 4jtpA-6fg9A:
undetectable		 4jtpA-6fg9A:
undetectable