SIMILAR PATTERNS OF AMINO ACIDS FOR 2C8A_A_NCAA1252

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
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.
1aye PROCARBOXYPEPTIDASE
A2

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		4 SER A 199
SER A 197
PHE A 279
GLU A 270
 None
None
None
ZN  A 400 (-4.3A)
 1.20A 2c8aA-1ayeA:
undetectable		 2c8aA-1ayeA:
21.53
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.
1dk5 ANNEXIN 24(CA32)

(Capsicum annuum) 		PF00191
(Annexin) 		4 ARG A  95
SER A  93
ARG A  54
GLU A 125
 None
 1.13A 2c8aA-1dk5A:
undetectable		 2c8aA-1dk5A:
18.94
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.
1dtd CARBOXYPEPTIDASE A2

(Homo sapiens) 		PF00246
(Peptidase_M14) 		4 SER A 555
SER A 553
PHE A 635
GLU A 626
 None
None
None
GLU  A 300 (-4.2A)
 1.17A 2c8aA-1dtdA:
undetectable		 2c8aA-1dtdA:
22.12
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.
1fx4 RECEPTOR-TYPE
ADENYLATE CYCLASE
GRESAG 4.3

(Trypanosoma
brucei) 		PF00211
(Guanylate_cyc) 		4 SER A1062
PHE A 947
GLN A1068
GLU A1064
 None
 1.26A 2c8aA-1fx4A:
undetectable		 2c8aA-1fx4A:
19.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gze MONO-ADP-RIBOSYLTRAN
SFERASE C3

(Clostridium
botulinum) 		PF03496
(ADPrib_exo_Tox) 		4 ARG A 128
SER A 174
PHE A 183
GLU A 214
 None
 1.17A 2c8aA-1gzeA:
33.2		 2c8aA-1gzeA:
99.53
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.
1k4n PROTEIN EC4020

(Escherichia
coli) 		PF06185
(YecM) 		4 ARG A  50
SER A  48
ARG A  79
GLU A 119
 None
 1.32A 2c8aA-1k4nA:
undetectable		 2c8aA-1k4nA:
21.52
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.
1kwm PROCARBOXYPEPTIDASE
B

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		4 SER A 199
SER A 197
PHE A 279
GLU A 270
 None
 1.27A 2c8aA-1kwmA:
undetectable		 2c8aA-1kwmA:
19.35
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.
1ltt HEAT-LABILE
ENTEROTOXIN, SUBUNIT
A

(Escherichia
coli) 		PF01375
(Enterotoxin_a) 		4 ARG A   7
SER A  61
SER A  63
GLU A 112
 None
 0.72A 2c8aA-1lttA:
undetectable		 2c8aA-1lttA:
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.
1og3 T-CELL
ECTO-ADP-RIBOSYLTRAN
SFERASE 2

(Rattus
norvegicus) 		PF01129
(ART) 		4 SER A 147
SER A 149
PHE A 160
GLN A 187
 NAD  A1227 (-3.1A)
None
NAD  A1227 (-3.4A)
NAD  A1227 (-3.9A)
 1.25A 2c8aA-1og3A:
11.4		 2c8aA-1og3A:
20.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ojz ADP-RIBOSYLTRANSFERA
SE

(Staphylococcus
aureus) 		PF03496
(ADPrib_exo_Tox) 		4 SER A 138
ARG A 150
GLN A 178
GLU A 180
 NAD  A 500 (-2.9A)
NAD  A 500 (-2.7A)
NAD  A 500 (-3.4A)
NAD  A 500 (-2.6A)
 0.88A 2c8aA-1ojzA:
26.3		 2c8aA-1ojzA:
35.91
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.
1olt OXYGEN-INDEPENDENT
COPROPORPHYRINOGEN
III OXIDASE

(Escherichia
coli) 		PF04055
(Radical_SAM)
PF06969
(HemN_C) 		4 SER A 168
SER A 143
GLN A 311
GLU A 145
 None
None
SAM  A 502 (-3.0A)
SAM  A 502 ( 2.8A)
 0.81A 2c8aA-1oltA:
undetectable		 2c8aA-1oltA:
18.16
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.
1ope SUCCINYL-COA:3-KETOA
CID-COENZYME A
TRANSFERASE

(Sus scrofa) 		PF01144
(CoA_trans) 		4 SER A 304
SER A 346
GLN A  99
GLU A 305
 None
 1.30A 2c8aA-1opeA:
undetectable		 2c8aA-1opeA:
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.
1pie GALACTOKINASE

(Lactococcus
lactis) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg) 		4 SER A 139
ARG A  36
GLN A 184
GLU A 143
 None
PO4  A 401 ( 3.5A)
None
None
 0.79A 2c8aA-1pieA:
undetectable		 2c8aA-1pieA:
20.81
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.
1prt PERTUSSIS TOXIN
(SUBUNIT S1)

(Bordetella
pertussis) 		PF02917
(Pertussis_S1) 		4 SER A  52
SER A  54
GLN A 127
GLU A 129
 None
 0.90A 2c8aA-1prtA:
undetectable		 2c8aA-1prtA:
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.
1qs1 ADP-RIBOSYLTRANSFERA
SE

(Bacillus cereus) 		PF03496
(ADPrib_exo_Tox) 		4 ARG A 349
SER A 386
ARG A 400
GLU A 428
 None
 1.05A 2c8aA-1qs1A:
19.9		 2c8aA-1qs1A:
20.86
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.
1qs2 ADP-RIBOSYLTRANSFERA
SE

(Bacillus cereus) 		PF03496
(ADPrib_exo_Tox) 		4 ARG A 349
SER A 386
PHE A 397
ARG A 400
 NAD  A 500 (-3.7A)
NAD  A 500 ( 3.8A)
NAD  A 500 (-3.5A)
NAD  A 500 (-3.6A)
 0.95A 2c8aA-1qs2A:
23.0		 2c8aA-1qs2A:
23.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1r45 MONO-ADP-RIBOSYLTRAN
SFERASE C3

(Clostridium
phage c-st) 		PF03496
(ADPrib_exo_Tox) 		5 SER A 174
SER A 176
ARG A 185
GLN A 211
GLU A 213
 None
 0.91A 2c8aA-1r45A:
30.7		 2c8aA-1r45A:
63.98
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.
1s5f CHOLERA ENTEROTOXIN,
A CHAIN

(Vibrio cholerae) 		PF01375
(Enterotoxin_a) 		4 ARG A   7
SER A  61
SER A  63
GLU A 112
 None
 0.99A 2c8aA-1s5fA:
undetectable		 2c8aA-1s5fA:
17.95
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.
1sqh HYPOTHETICAL PROTEIN
CG14615-PA

(Drosophila
melanogaster) 		PF08445
(FR47) 		4 SER A  97
ARG A 134
GLN A  99
GLU A 105
 None
 1.30A 2c8aA-1sqhA:
undetectable		 2c8aA-1sqhA:
23.28
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.
1t1u CHOLINE
O-ACETYLTRANSFERASE

(Rattus
norvegicus) 		PF00755
(Carn_acyltransf) 		4 SER A 335
SER A 106
ARG A  99
GLU A 333
 None
 1.33A 2c8aA-1t1uA:
undetectable		 2c8aA-1t1uA:
15.97
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.
1u2x ADP-SPECIFIC
PHOSPHOFRUCTOKINASE

(Pyrococcus
horikoshii) 		PF04587
(ADP_PFK_GK) 		4 SER A 373
PHE A 468
ARG A 471
GLU A 375
 None
 1.13A 2c8aA-1u2xA:
undetectable		 2c8aA-1u2xA:
18.68
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.
1v4g GLUTAMATE--CYSTEINE
LIGASE

(Escherichia
coli) 		PF04262
(Glu_cys_ligase) 		4 SER A 338
PHE A 447
ARG A 450
GLN A 346
 None
 1.17A 2c8aA-1v4gA:
undetectable		 2c8aA-1v4gA:
17.37
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.
1vax URIC ACID OXIDASE

(Arthrobacter
globiformis) 		PF01014
(Uricase) 		4 PHE A 113
ARG A 127
GLN A 111
GLU A  24
 None
 0.99A 2c8aA-1vaxA:
undetectable		 2c8aA-1vaxA:
19.58
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.
1vs1 3-DEOXY-7-PHOSPHOHEP
TULONATE SYNTHASE

(Aeropyrum
pernix) 		PF00793
(DAHP_synth_1) 		4 ARG A 130
ARG A 181
GLN A 126
GLU A 108
 PEP  A 302 (-3.4A)
PEP  A 302 (-3.8A)
PEP  A 302 (-3.7A)
PEP  A 302 ( 4.3A)
 1.32A 2c8aA-1vs1A:
undetectable		 2c8aA-1vs1A:
22.49
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.
1zli CARBOXYPEPTIDASE B

(Homo sapiens) 		PF00246
(Peptidase_M14) 		4 SER A 199
SER A 197
PHE A 279
GLU A 270
 None
None
None
ZN  A 501 ( 4.8A)
 1.30A 2c8aA-1zliA:
undetectable		 2c8aA-1zliA:
23.20
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.
2abl ABL TYROSINE KINASE

(Homo sapiens) 		PF00017
(SH2)
PF00018
(SH3_1) 		4 ARG A 171
SER A 152
ARG A 194
GLU A 174
 None
 1.32A 2c8aA-2ablA:
undetectable		 2c8aA-2ablA:
25.11
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.
2boa CARBOXYPEPTIDASE A4

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		4 SER A1199
SER A1197
PHE A1279
GLU A1270
 None
 1.18A 2c8aA-2boaA:
undetectable		 2c8aA-2boaA:
20.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2bov MONO-ADP-RIBOSYLTRAN
SFERASE C3

(Clostridium
botulinum) 		PF03496
(ADPrib_exo_Tox) 		4 ARG B1128
SER B1174
ARG B1186
GLU B1214
 None
 0.98A 2c8aA-2bovB:
34.7		 2c8aA-2bovB:
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.
2d0d 2-HYDROXY-6-OXO-7-ME
THYLOCTA-2,4-DIENOAT
E HYDROLASE

(Pseudomonas
fluorescens) 		PF00561
(Abhydrolase_1) 		4 SER A  39
PHE A 183
ARG A  70
GLN A 180
 None
 1.16A 2c8aA-2d0dA:
undetectable		 2c8aA-2d0dA:
21.61
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.
2dej PROBABLE
GALACTOKINASE

(Pyrococcus
horikoshii) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg) 		4 SER A 105
ARG A   9
GLN A 150
GLU A 109
 APW  A 402 (-2.2A)
GLA  A 401 (-4.1A)
None
None
 1.08A 2c8aA-2dejA:
undetectable		 2c8aA-2dejA:
21.88
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.
2eyz V-CRK SARCOMA VIRUS
CT10 ONCOGENE
HOMOLOG ISOFORM A

(Homo sapiens) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07653
(SH3_2) 		4 ARG A  56
SER A  58
SER A  55
GLU A  53
 None
 1.28A 2c8aA-2eyzA:
undetectable		 2c8aA-2eyzA:
18.95
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.
2ick ISOPENTENYL-DIPHOSPH
ATE DELTA ISOMERASE

(Homo sapiens) 		PF00293
(NUDIX) 		4 ARG A  71
SER A  72
GLN A  14
GLU A 168
 DMA  A 301 (-2.6A)
None
DMA  A 301 ( 4.7A)
DMA  A 301 ( 4.7A)
 0.98A 2c8aA-2ickA:
undetectable		 2c8aA-2ickA:
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.
2ioj HYPOTHETICAL PROTEIN
AF_1212

(Archaeoglobus
fulgidus) 		PF07085
(DRTGG) 		4 ARG A 313
SER A 312
SER A 316
GLU A 315
 None
 1.22A 2c8aA-2iojA:
undetectable		 2c8aA-2iojA:
18.96
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.
2ivd PROTOPORPHYRINOGEN
OXIDASE

(Myxococcus
xanthus) 		PF01593
(Amino_oxidase) 		4 ARG A 150
SER A 133
PHE A 147
GLU A 130
 None
 1.17A 2c8aA-2ivdA:
undetectable		 2c8aA-2ivdA:
15.45
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.
2j3z C2 TOXIN COMPONENT I

(Clostridium
botulinum) 		PF03496
(ADPrib_exo_Tox) 		4 ARG A 299
SER A 348
PHE A 358
GLU A 389
 SO4  A1438 (-3.3A)
GOL  A1435 ( 3.0A)
GOL  A1434 ( 4.3A)
GOL  A1435 (-3.4A)
 1.18A 2c8aA-2j3zA:
20.8		 2c8aA-2j3zA:
18.89
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.
2jml DNA BINDING
DOMAIN/TRANSCRIPTION
AL REGULATOR

(Myxococcus
xanthus) 		PF13411
(MerR_1) 		4 SER A  63
ARG A  52
GLN A  70
GLU A  66
 None
 1.34A 2c8aA-2jmlA:
undetectable		 2c8aA-2jmlA:
17.06
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.
2kk6 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE FER

(Homo sapiens) 		PF00017
(SH2) 		4 ARG A  42
SER A  44
ARG A  26
GLU A  50
 None
 1.16A 2c8aA-2kk6A:
undetectable		 2c8aA-2kk6A:
18.18
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.
2pcu CARBOXYPEPTIDASE A4

(Homo sapiens) 		PF00246
(Peptidase_M14) 		4 SER A 199
SER A 197
PHE A 279
GLU A 270
 None
None
None
ZN  A 999 (-4.6A)
 1.21A 2c8aA-2pcuA:
undetectable		 2c8aA-2pcuA:
22.90
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.
2pgg RNA-DIRECTED RNA
POLYMERASE

(Infectious
bursal disease
virus) 		PF04197
(Birna_RdRp) 		4 SER A 687
SER A 689
ARG A 627
GLU A 688
 None
 0.98A 2c8aA-2pggA:
undetectable		 2c8aA-2pggA:
14.38
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.
2rsd E3 SUMO-PROTEIN
LIGASE SIZ1

(Oryza sativa) 		PF00628
(PHD) 		4 ARG A 167
PHE A 161
GLN A 140
GLU A 164
 None
 1.25A 2c8aA-2rsdA:
undetectable		 2c8aA-2rsdA:
14.36
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.
2vg8 HYDROQUINONE
GLUCOSYLTRANSFERASE

(Arabidopsis
thaliana) 		PF00201
(UDPGT) 		4 SER A 373
PHE A 361
GLN A 349
GLU A 372
 None
None
UDP  A1477 (-3.3A)
UDP  A1477 (-2.6A)
 1.28A 2c8aA-2vg8A:
undetectable		 2c8aA-2vg8A:
17.45
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.
2wn4 ADP-RIBOSYLTRANSFERA
SE ENZYMATIC
COMPONENT

(Clostridioides
difficile) 		PF03496
(ADPrib_exo_Tox) 		5 ARG A 302
SER A 345
PHE A 356
ARG A 359
GLU A 387
 None
 1.04A 2c8aA-2wn4A:
22.8		 2c8aA-2wn4A:
22.40
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.
2zab ALGINATE LYASE

(Sphingomonas
sp. A1) 		PF08787
(Alginate_lyase2) 		4 SER A 143
PHE A 284
ARG A 146
GLN A 286
 None
LGU  A 403 ( 3.8A)
LGU  A 403 (-3.1A)
None
 1.30A 2c8aA-2zabA:
undetectable		 2c8aA-2zabA:
19.20
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.
3buz IOTA TOXIN COMPONENT
IA

(Clostridium
perfringens) 		PF03496
(ADPrib_exo_Tox) 		4 ARG A 295
SER A 338
ARG A 352
GLU A 380
 TAD  A 500 (-3.2A)
TAD  A 500 (-3.2A)
TAD  A 500 (-2.7A)
TAD  A 500 (-2.6A)
 0.67A 2c8aA-3buzA:
23.1		 2c8aA-3buzA:
21.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bw8 MONO-ADP-RIBOSYLTRAN
SFERASE C3

(Hathewaya
limosa) 		PF03496
(ADPrib_exo_Tox) 		5 ARG A  88
SER A 134
ARG A 146
GLN A 172
GLU A 174
 None
 0.59A 2c8aA-3bw8A:
32.4		 2c8aA-3bw8A:
59.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bw8 MONO-ADP-RIBOSYLTRAN
SFERASE C3

(Hathewaya
limosa) 		PF03496
(ADPrib_exo_Tox) 		4 ARG A  88
SER A 134
PHE A 143
GLU A 174
 None
 1.27A 2c8aA-3bw8A:
32.4		 2c8aA-3bw8A:
59.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bw8 MONO-ADP-RIBOSYLTRAN
SFERASE C3

(Hathewaya
limosa) 		PF03496
(ADPrib_exo_Tox) 		4 SER A 134
SER A 136
GLN A 172
GLU A 174
 None
 0.78A 2c8aA-3bw8A:
32.4		 2c8aA-3bw8A:
59.45
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.
3d4u CARBOXYPEPTIDASE B2

(Bos taurus) 		PF00246
(Peptidase_M14) 		4 SER A 199
SER A 197
PHE A 279
GLU A 270
 None
None
None
ZN  A 309 ( 4.8A)
 1.31A 2c8aA-3d4uA:
undetectable		 2c8aA-3d4uA:
20.89
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.
3eag UDP-N-ACETYLMURAMATE
:L-ALANYL-GAMMA-D-GL
UTAMYL-MESO-DIAMINOP
IMELATE LIGASE

(Neisseria
meningitidis) 		PF01225
(Mur_ligase)
PF08245
(Mur_ligase_M) 		4 ARG A 188
SER A  98
GLN A  95
GLU A  99
 None
None
GOL  A 401 (-4.1A)
None
 1.15A 2c8aA-3eagA:
undetectable		 2c8aA-3eagA:
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.
3fju CARBOXYPEPTIDASE A1

(Homo sapiens) 		PF00246
(Peptidase_M14) 		4 SER A 199
SER A 197
PHE A 279
GLU A 270
 None
None
None
ACT  A 515 (-4.3A)
 1.19A 2c8aA-3fjuA:
undetectable		 2c8aA-3fjuA:
22.48
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.
3gza PUTATIVE
ALPHA-L-FUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01120
(Alpha_L_fucos) 		4 ARG A 426
SER A 421
ARG A 326
GLU A 420
 None
 1.32A 2c8aA-3gzaA:
undetectable		 2c8aA-3gzaA:
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.
3jb9 PRE-MRNA-SPLICING
FACTOR SPP42

(Schizosaccharomyces
pombe) 		PF08082
(PRO8NT)
PF08083
(PROCN)
PF10596
(U6-snRNA_bdg)
PF10597
(U5_2-snRNA_bdg)
PF10598
(RRM_4)
PF12134
(PRP8_domainIV) 		4 ARG A 155
SER A 153
GLN A 445
GLU A 125
 U  C  67 ( 3.3A)
G  C  66 ( 3.4A)
C  C  65 ( 4.6A)
G  C  66 ( 3.7A)
 1.20A 2c8aA-3jb9A:
undetectable		 2c8aA-3jb9A:
6.58
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.
3jd5 28S RIBOSOMAL
PROTEIN S9,
MITOCHONDRIAL

(Bos taurus) 		PF00380
(Ribosomal_S9) 		4 ARG I 276
SER I 338
ARG I 345
GLN I 308
 G  A 785 ( 3.4A)
G  A 811 ( 3.3A)
None
G  A 811 ( 4.4A)
 1.29A 2c8aA-3jd5I:
undetectable		 2c8aA-3jd5I:
20.65
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.
3k70 EXODEOXYRIBONUCLEASE
V BETA CHAIN

(Escherichia
coli) 		PF00580
(UvrD-helicase)
PF12705
(PDDEXK_1)
PF13361
(UvrD_C) 		4 ARG B 341
ARG B 170
GLN B 162
GLU B 342
 None
 1.16A 2c8aA-3k70B:
undetectable		 2c8aA-3k70B:
10.71
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.
3mj9 JUNCTIONAL ADHESION
MOLECULE-LIKE

(Mus musculus) 		PF07686
(V-set) 		4 ARG A  70
SER A  71
PHE A  67
ARG A  66
 None
 1.10A 2c8aA-3mj9A:
undetectable		 2c8aA-3mj9A:
20.59
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.
3opb SWI5-DEPENDENT HO
EXPRESSION PROTEIN 4

(Saccharomyces
cerevisiae) 		PF11701
(UNC45-central) 		4 ARG A  86
SER A  83
SER A  85
GLU A  84
 None
 1.29A 2c8aA-3opbA:
undetectable		 2c8aA-3opbA:
14.52
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.
3osl CARBOXYPEPTIDASE B2

(Bos taurus) 		PF00246
(Peptidase_M14) 		4 SER A 313
SER A 311
PHE A 394
GLU A 385
 None
None
None
ZN  A 999 ( 4.8A)
 1.31A 2c8aA-3oslA:
undetectable		 2c8aA-3oslA:
21.37
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.
3qky OUTER MEMBRANE
ASSEMBLY LIPOPROTEIN
YFIO

(Rhodothermus
marinus) 		PF13525
(YfiO) 		4 SER A  92
ARG A  65
GLN A  99
GLU A  95
 None
 1.33A 2c8aA-3qkyA:
undetectable		 2c8aA-3qkyA:
22.99
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.
3qs1 PLASMEPSIN-1

(Plasmodium
falciparum) 		PF00026
(Asp) 		4 SER A  58
SER A  42
PHE A  83
GLN A  44
 None
 1.18A 2c8aA-3qs1A:
undetectable		 2c8aA-3qs1A:
21.93
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.
3t97 NUCLEAR PORE
GLYCOPROTEIN P62

(Rattus
norvegicus) 		no annotation 4 SER C 401
PHE C 398
GLN C 402
GLU C 405
 None
 1.28A 2c8aA-3t97C:
undetectable		 2c8aA-3t97C:
14.56
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.
3tgv HEME-BINDING PROTEIN
HUTZ

(Vibrio cholerae) 		PF01243
(Putative_PNPOx) 		4 SER A 106
ARG A 137
GLN A 111
GLU A 107
 None
 1.17A 2c8aA-3tgvA:
undetectable		 2c8aA-3tgvA:
16.43
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.
4a2l TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE/RESPONSE

(Bacteroides
thetaiotaomicron) 		PF07494
(Reg_prop)
PF07495
(Y_Y_Y) 		4 ARG A 313
ARG A  91
GLN A 216
GLU A 233
 None
 1.00A 2c8aA-4a2lA:
undetectable		 2c8aA-4a2lA:
16.19
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.
4a3s 6-PHOSPHOFRUCTOKINAS
E

(Bacillus
subtilis) 		PF00365
(PFK) 		4 ARG A 204
SER A 314
GLN A 312
GLU A 316
 None
 1.29A 2c8aA-4a3sA:
undetectable		 2c8aA-4a3sA:
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.
4fk7 PUTATIVE
ADP-RIBOSYLTRANSFERA
SE CERTHRAX

(Bacillus cereus) 		PF03496
(ADPrib_exo_Tox) 		5 ARG A 341
SER A 387
SER A 389
GLN A 429
GLU A 431
 P34  A1001 (-3.6A)
P34  A1001 (-4.0A)
P34  A1001 (-3.1A)
UNX  A1011 ( 3.4A)
P34  A1001 (-3.9A)
 0.58A 2c8aA-4fk7A:
24.6		 2c8aA-4fk7A:
27.66
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.
4fms PROBABLE PORIN

(Pseudomonas
aeruginosa) 		no annotation 4 ARG B 387
PHE B 383
ARG B  26
GLU B 349
 None
 1.27A 2c8aA-4fmsB:
undetectable		 2c8aA-4fmsB:
18.69
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.
4fms PROBABLE PORIN

(Pseudomonas
aeruginosa) 		no annotation 4 ARG B 387
PHE B 383
GLN B 373
GLU B 349
 None
 1.25A 2c8aA-4fmsB:
undetectable		 2c8aA-4fmsB:
18.69
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.
4fnq ALPHA-GALACTOSIDASE
AGAB

(Geobacillus
stearothermophilus) 		PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N) 		4 SER A 525
PHE A 533
ARG A 203
GLU A 524
 None
 1.08A 2c8aA-4fnqA:
undetectable		 2c8aA-4fnqA:
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.
4fwt ELONGATION FACTOR
TS, ELONGATION
FACTOR TU, LINKER, Q
BETA REPLICASE

(Escherichia
coli;
Escherichia
virus Qbeta) 		PF00009
(GTP_EFTU)
PF00889
(EF_TS)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2)
PF03431
(RNA_replicase_B) 		4 SER A 998
SER A1015
GLN A 927
GLU A 919
 None
 1.25A 2c8aA-4fwtA:
undetectable		 2c8aA-4fwtA:
9.87
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.
4fxq PUTATIVE
ADP-RIBOSYLTRANSFERA
SE CERTHRAX

(Bacillus cereus) 		PF03496
(ADPrib_exo_Tox)
PF07737
(ATLF) 		5 ARG A 341
SER A 387
SER A 389
GLN A 429
GLU A 431
 CL  A 503 ( 4.1A)
G9L  A 501 (-4.2A)
G9L  A 501 (-3.0A)
G9L  A 501 (-4.3A)
G9L  A 501 (-3.7A)
 0.64A 2c8aA-4fxqA:
25.2		 2c8aA-4fxqA:
16.99
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.
4gk8 HISTIDINOL-PHOSPHATA
SE

(Lactococcus
lactis) 		PF02811
(PHP) 		4 SER A  12
PHE A  10
ARG A 234
GLU A  41
 None
 1.30A 2c8aA-4gk8A:
undetectable		 2c8aA-4gk8A:
22.52
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.
4lix ENT-COPALYL
DIPHOSPHATE
SYNTHASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		4 SER A 576
PHE A 574
ARG A 488
GLU A 577
 None
 1.30A 2c8aA-4lixA:
undetectable		 2c8aA-4lixA:
14.44
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.
4nkq CYTOKINE RECEPTOR
COMMON SUBUNIT BETA

(Homo sapiens) 		PF00041
(fn3)
PF09240
(IL6Ra-bind) 		4 ARG A 413
ARG A 415
GLN A 339
GLU A 427
 None
 1.04A 2c8aA-4nkqA:
undetectable		 2c8aA-4nkqA:
17.35
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.
4olp GRPU
MICROCOMPARTMENT
SHELL PROTEIN

(Pectobacterium
parmentieri) 		PF00936
(BMC) 		4 ARG A  26
SER A  23
SER A  25
GLU A  24
 None
 0.88A 2c8aA-4olpA:
undetectable		 2c8aA-4olpA:
20.31
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.
4qme AMINOPEPTIDASE N

(Neisseria
meningitidis) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		4 ARG A 636
SER A 616
GLN A 564
GLU A 619
 SO4  A 913 (-3.0A)
None
None
None
 1.07A 2c8aA-4qmeA:
undetectable		 2c8aA-4qmeA:
13.62
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.
4r1d UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		no annotation 4 ARG A 441
SER A 494
ARG A 336
GLN A 506
 None
 1.27A 2c8aA-4r1dA:
undetectable		 2c8aA-4r1dA:
16.08
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.
4tlv ADP-RIBOSYLATING
TOXIN CARDS

(Mycoplasma
pneumoniae) 		PF02917
(Pertussis_S1) 		4 ARG A  10
SER A  49
GLN A 130
GLU A 132
 None
 1.04A 2c8aA-4tlvA:
undetectable		 2c8aA-4tlvA:
15.11
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.
4tlv ADP-RIBOSYLATING
TOXIN CARDS

(Mycoplasma
pneumoniae) 		PF02917
(Pertussis_S1) 		4 SER A  49
SER A  51
GLN A 130
GLU A 132
 None
 0.86A 2c8aA-4tlvA:
undetectable		 2c8aA-4tlvA:
15.11
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.
4uf4 CARBOXYPEPTIDASE A1

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		4 SER A 309
SER A 307
PHE A 389
GLU A 380
 None
None
None
O2V  A1419 (-1.8A)
 1.26A 2c8aA-4uf4A:
undetectable		 2c8aA-4uf4A:
19.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xsh ADP-RIBOSYLTRANSFERA
SE

(Bacillus cereus) 		PF03496
(ADPrib_exo_Tox) 		5 ARG B  97
SER B 142
ARG B 155
GLN B 183
GLU B 185
 NAI  B 301 ( 2.7A)
NAI  B 301 (-3.3A)
NAI  B 301 (-3.1A)
NAI  B 301 (-3.9A)
NAI  B 301 (-3.2A)
 0.56A 2c8aA-4xshB:
26.7		 2c8aA-4xshB:
36.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xsh ADP-RIBOSYLTRANSFERA
SE

(Bacillus cereus) 		PF03496
(ADPrib_exo_Tox) 		4 SER B 142
SER B 144
GLN B 183
GLU B 185
 NAI  B 301 (-3.3A)
None
NAI  B 301 (-3.9A)
NAI  B 301 (-3.2A)
 0.69A 2c8aA-4xshB:
26.7		 2c8aA-4xshB:
36.91
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.
4yzw AGAP004976-PA

(Anopheles
gambiae) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 SER A  95
SER A  97
PHE A 388
ARG A 312
 None
 1.31A 2c8aA-4yzwA:
undetectable		 2c8aA-4yzwA:
13.32
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.
5a22 VESICULAR STOMATITIS
VIRUS L POLYMERASE

(Vesicular
stomatitis
virus) 		PF00946
(Mononeg_RNA_pol)
PF14314
(Methyltrans_Mon)
PF14318
(Mononeg_mRNAcap) 		4 ARG A1221
SER A1187
PHE A1219
GLN A1216
 None
 1.13A 2c8aA-5a22A:
undetectable		 2c8aA-5a22A:
6.77
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.
5ewy PUTATIVE
ADP-RIBOSYLTRANSFERA
SE SCABIN

(Streptomyces
scabiei) 		no annotation 4 ARG A  77
SER A 117
GLN A 158
GLU A 160
 5TQ  A 301 (-2.9A)
5TQ  A 301 (-3.6A)
5TQ  A 301 (-3.0A)
5TQ  A 301 (-2.9A)
 0.58A 2c8aA-5ewyA:
3.0		 2c8aA-5ewyA:
20.18
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.
5exc GREEN FLUORESCENT
PROTEIN

(Dendronephthya
sp. SSAL-2002) 		PF01353
(GFP) 		4 ARG I  91
SER I 105
ARG I  66
GLN I 116
 RC7  I  64 ( 2.7A)
RC7  I  64 ( 4.4A)
RC7  I  64 ( 4.3A)
NLW  A  61 ( 4.4A)
 1.06A 2c8aA-5excI:
undetectable		 2c8aA-5excI:
21.08
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.
5h04 BINARY ENTEROTOXIN
OF CLOSTRIDIUM
PERFRINGENS
COMPONENT A

(Clostridium
perfringens) 		PF03496
(ADPrib_exo_Tox) 		5 ARG A 297
SER A 340
PHE A 351
ARG A 354
GLU A 382
 NAI  A 501 (-2.8A)
NAI  A 501 (-2.6A)
NAI  A 501 (-4.0A)
NAI  A 501 (-3.0A)
NAI  A 501 (-3.1A)
 0.78A 2c8aA-5h04A:
20.3		 2c8aA-5h04A:
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.
5hvf CARBOXYPEPTIDASE B2

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		4 SER A 291
SER A 289
PHE A 372
GLU A 363
 None
None
None
FLC  A 509 (-3.3A)
 1.22A 2c8aA-5hvfA:
undetectable		 2c8aA-5hvfA:
20.24
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.
5ig0 CAMK/CAMK2 PROTEIN
KINASE

(Salpingoeca
rosetta) 		PF08332
(CaMKII_AD) 		4 ARG A 433
PHE A 469
ARG A 452
GLU A 385
 SO4  A 501 ( 3.8A)
SO4  A 501 (-3.8A)
SO4  A 501 (-2.9A)
GOL  A 502 (-2.5A)
 1.17A 2c8aA-5ig0A:
undetectable		 2c8aA-5ig0A:
21.10
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.
5j1q CARBOXYPEPTIDASE B

(Sus scrofa) 		PF00246
(Peptidase_M14) 		4 SER A 199
SER A 197
PHE A 279
GLU A 270
 None
None
None
CXA  A 402 (-3.0A)
 1.26A 2c8aA-5j1qA:
undetectable		 2c8aA-5j1qA:
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.
5nbs BETA-GLUCOSIDASE

(Neurospora
crassa) 		no annotation 4 ARG A 591
SER A 589
SER A 649
PHE A 653
 None
 1.17A 2c8aA-5nbsA:
undetectable		 2c8aA-5nbsA:
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.
5o16 AMBC

(Sorangium
cellulosum) 		no annotation 4 SER A 243
SER A  81
ARG A 286
GLU A  82
 None
 1.30A 2c8aA-5o16A:
undetectable		 2c8aA-5o16A:
18.75
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.
5okz EXOSOME COMPLEX
COMPONENT MTR3

(Saccharomyces
cerevisiae) 		PF01138
(RNase_PH) 		4 ARG F  81
SER F  94
PHE F 138
GLN F  96
 None
 1.15A 2c8aA-5okzF:
undetectable		 2c8aA-5okzF:
22.13
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.
5to3 PROTHROMBIN,THROMBOM
ODULIN

(Homo sapiens) 		PF00089
(Trypsin)
PF09064
(Tme5_EGF_like) 		4 ARG B  35
SER B  37
SER B 406
GLU B 408
 None
 1.21A 2c8aA-5to3B:
undetectable		 2c8aA-5to3B:
17.40
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.
5urp TOXIN 2A

(Paenibacillus
larvae) 		no annotation 4 ARG A  83
SER A 128
ARG A 140
GLU A 168
 None
GOL  A 301 ( 4.2A)
None
GOL  A 301 (-3.4A)
 0.94A 2c8aA-5urpA:
28.0		 2c8aA-5urpA:
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.
5urp TOXIN 2A

(Paenibacillus
larvae) 		no annotation 4 ARG A  83
SER A 128
GLN A 166
GLU A 168
 None
GOL  A 301 ( 4.2A)
GOL  A 301 (-3.5A)
GOL  A 301 (-3.4A)
 0.54A 2c8aA-5urpA:
28.0		 2c8aA-5urpA:
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.
5urp TOXIN 2A

(Paenibacillus
larvae) 		no annotation 4 ARG A  83
SER A 128
PHE A 137
GLU A 168
 None
GOL  A 301 ( 4.2A)
None
GOL  A 301 (-3.4A)
 1.33A 2c8aA-5urpA:
28.0		 2c8aA-5urpA:
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.
5urp TOXIN 2A

(Paenibacillus
larvae) 		no annotation 4 SER A 128
SER A 130
GLN A 166
GLU A 168
 GOL  A 301 ( 4.2A)
GOL  A 301 ( 4.8A)
GOL  A 301 (-3.5A)
GOL  A 301 (-3.4A)
 0.78A 2c8aA-5urpA:
28.0		 2c8aA-5urpA:
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.
5uvq SCABIN

(Streptomyces
scabiei) 		no annotation 4 ARG A  77
SER A 117
GLN A 158
GLU A 160
 None
 1.15A 2c8aA-5uvqA:
3.0		 2c8aA-5uvqA:
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.
5zj5 -

(-) 		no annotation 4 ARG A  81
SER A 121
GLN A 162
GLU A 164
 NAI  A 301 (-2.7A)
NAI  A 301 (-2.7A)
GDP  A 302 ( 3.2A)
NAI  A 301 (-3.5A)
 0.57A 2c8aA-5zj5A:
3.0		 2c8aA-5zj5A:
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.
5zj5 -

(-) 		no annotation 4 SER A 121
SER A 123
GLN A 162
GLU A 164
 NAI  A 301 (-2.7A)
None
GDP  A 302 ( 3.2A)
NAI  A 301 (-3.5A)
 0.65A 2c8aA-5zj5A:
3.0		 2c8aA-5zj5A:
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.
6cf6 TANKYRASE-1

(Mus musculus) 		no annotation 4 ARG A 440
SER A 404
SER A 437
GLU A 434
 None
 1.14A 2c8aA-6cf6A:
undetectable		 2c8aA-6cf6A:
undetectable