SIMILAR PATTERNS OF AMINO ACIDS FOR 2C8A_C_NCAC1252_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
Potential target for repurposing, i.e. matched protein structure has less than 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)
 1.25A 2c8aC-1ayeA:
undetectable		 2c8aC-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
 1.19A 2c8aC-1dk5A:
undetectable		 2c8aC-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)
 1.23A 2c8aC-1dtdA:
undetectable		 2c8aC-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.
1exc PROTEIN MAF

(Bacillus
subtilis) 		PF02545
(Maf) 		4 ARG A  99
SER A 100
SER A 102
GLU A 123
 None
 1.16A 2c8aC-1excA:
undetectable		 2c8aC-1excA:
22.41
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
 1.24A 2c8aC-1gzeA:
33.6		 2c8aC-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.
1h71 SERRALYSIN

(Pseudomonas sp.
'TAC II 18') 		PF00413
(Peptidase_M10)
PF08548
(Peptidase_M10_C) 		4 ARG P 164
SER P  95
PHE P 266
GLU P  94
 None
 1.41A 2c8aC-1h71P:
undetectable		 2c8aC-1h71P:
19.19
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.
1k4n PROTEIN EC4020

(Escherichia
coli) 		PF06185
(YecM) 		4 ARG A  50
SER A  48
ARG A  79
GLU A 119
 None
 1.31A 2c8aC-1k4nA:
undetectable		 2c8aC-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
 1.33A 2c8aC-1kwmA:
undetectable		 2c8aC-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.
1lt3 HEAT-LABILE
ENTEROTOXIN

(Escherichia
coli) 		PF01375
(Enterotoxin_a) 		4 ARG A   7
SER A  61
SER A  63
GLU A 112
 None
 0.92A 2c8aC-1lt3A:
undetectable		 2c8aC-1lt3A:
18.93
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.
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
 0.69A 2c8aC-1lttA:
undetectable		 2c8aC-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.
1nsa PROCARBOXYPEPTIDASE
B

(Sus scrofa) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		4 SER A 199
SER A 197
PHE A 279
GLU A 270
 None
None
None
ZN  A 501 ( 4.9A)
 1.42A 2c8aC-1nsaA:
undetectable		 2c8aC-1nsaA:
20.62
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.
1ohf NUDAURELIA CAPENSIS
OMEGA VIRUS CAPSID
PROTEIN

(Nudaurelia
capensis omega
virus) 		PF03566
(Peptidase_A21) 		4 SER A 476
SER A 422
ARG A 495
GLU A 423
 None
 1.47A 2c8aC-1ohfA:
undetectable		 2c8aC-1ohfA:
16.30
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.
1qs1 ADP-RIBOSYLTRANSFERA
SE

(Bacillus cereus) 		PF03496
(ADPrib_exo_Tox) 		4 ARG A 349
SER A 386
ARG A 400
GLU A 428
 None
 1.04A 2c8aC-1qs1A:
19.4		 2c8aC-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)
 0.99A 2c8aC-1qs2A:
23.2		 2c8aC-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) 		4 SER A 174
SER A 176
ARG A 185
GLU A 213
 None
 1.02A 2c8aC-1r45A:
29.8		 2c8aC-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.
1ri3 MRNA CAPPING ENZYME

(Encephalitozoon
cuniculi) 		PF03291
(Pox_MCEL) 		4 ARG A 232
SER A 152
ARG A 210
GLU A 151
 None
 1.46A 2c8aC-1ri3A:
undetectable		 2c8aC-1ri3A:
21.68
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.
1ri3 MRNA CAPPING ENZYME

(Encephalitozoon
cuniculi) 		PF03291
(Pox_MCEL) 		4 SER A 150
SER A 152
ARG A 210
GLU A 151
 None
 1.42A 2c8aC-1ri3A:
undetectable		 2c8aC-1ri3A:
21.68
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.
1s5f CHOLERA ENTEROTOXIN,
A CHAIN

(Vibrio cholerae) 		PF01375
(Enterotoxin_a) 		4 ARG A   7
SER A  61
SER A  63
GLU A 112
 None
 0.97A 2c8aC-1s5fA:
undetectable		 2c8aC-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.
1u2x ADP-SPECIFIC
PHOSPHOFRUCTOKINASE

(Pyrococcus
horikoshii) 		PF04587
(ADP_PFK_GK) 		4 SER A 373
PHE A 468
ARG A 471
GLU A 375
 None
 1.09A 2c8aC-1u2xA:
undetectable		 2c8aC-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.
1ulv GLUCODEXTRANASE

(Arthrobacter
globiformis) 		PF00723
(Glyco_hydro_15)
PF09136
(Glucodextran_B)
PF09137
(Glucodextran_N)
PF09985
(Glucodextran_C) 		4 SER A 259
SER A  26
ARG A 112
GLU A 263
 None
 1.17A 2c8aC-1ulvA:
undetectable		 2c8aC-1ulvA:
11.47
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.
1yq2 BETA-GALACTOSIDASE

(Arthrobacter
sp. C2-2) 		PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		4 SER A 789
SER A 485
PHE A 777
GLU A 488
 None
 1.48A 2c8aC-1yq2A:
undetectable		 2c8aC-1yq2A:
10.55
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.
1z2a RAS-RELATED PROTEIN
RAB-23

(Mus musculus) 		PF00071
(Ras) 		4 ARG A  28
SER A 151
PHE A  34
GLU A 154
 None
GDP  A 201 (-3.6A)
GDP  A 201 (-4.4A)
None
 1.45A 2c8aC-1z2aA:
undetectable		 2c8aC-1z2aA:
19.72
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.
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)
 1.34A 2c8aC-1zliA:
undetectable		 2c8aC-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
 1.31A 2c8aC-2ablA:
undetectable		 2c8aC-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.
2abl ABL TYROSINE KINASE

(Homo sapiens) 		PF00017
(SH2)
PF00018
(SH3_1) 		4 ARG A 171
SER A 152
SER A 173
GLU A 174
 None
 1.39A 2c8aC-2ablA:
undetectable		 2c8aC-2ablA:
25.11
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 2c8aC-2bovB:
34.3		 2c8aC-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
GLU A   5
 None
 1.46A 2c8aC-2d0dA:
undetectable		 2c8aC-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.
2d3o TRIGGER FACTOR

(Deinococcus
radiodurans) 		PF05697
(Trigger_N) 		4 ARG 1  67
SER 1  64
PHE 1 102
GLU 1  63
 None
 1.48A 2c8aC-2d3o1:
undetectable		 2c8aC-2d3o1:
19.05
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.
2gf9 RAS-RELATED PROTEIN
RAB-3D

(Homo sapiens) 		PF00071
(Ras) 		4 ARG A  41
SER A 165
PHE A  47
GLU A 168
 None
GDP  A 501 (-3.1A)
GDP  A 501 ( 4.4A)
None
 1.33A 2c8aC-2gf9A:
undetectable		 2c8aC-2gf9A:
21.17
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.
2gh8 CAPSID PROTEIN

(Vesicular
exanthema of
swine virus) 		PF00915
(Calici_coat) 		4 ARG A 588
SER A 584
PHE A 400
ARG A 398
 None
 1.40A 2c8aC-2gh8A:
undetectable		 2c8aC-2gh8A:
17.74
Potential target for repurposing, i.e. matched protein structure has less than 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 2c8aC-2iojA:
undetectable		 2c8aC-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
 1.19A 2c8aC-2ivdA:
undetectable		 2c8aC-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.
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
 1.11A 2c8aC-2kk6A:
undetectable		 2c8aC-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.
2lt3 TRANSCRIPTIONAL
REGULATOR, CARD
FAMILY

(Myxococcus
xanthus) 		no annotation 4 ARG A  84
SER A  85
ARG A  77
GLU A  99
 None
 1.41A 2c8aC-2lt3A:
undetectable		 2c8aC-2lt3A:
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.
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)
 1.26A 2c8aC-2pcuA:
undetectable		 2c8aC-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
 0.99A 2c8aC-2pggA:
undetectable		 2c8aC-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.
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
 1.06A 2c8aC-2wn4A:
22.9		 2c8aC-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.
2yv5 YJEQ PROTEIN

(Aquifex
aeolicus) 		PF03193
(RsgA_GTPase) 		4 SER A 218
PHE A 166
ARG A  82
GLU A 164
 None
 1.37A 2c8aC-2yv5A:
undetectable		 2c8aC-2yv5A:
20.20
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.
3au0 CLUMPING FACTOR B

(Staphylococcus
aureus) 		PF10425
(SdrG_C_C) 		4 SER A 337
SER A 443
ARG A 331
GLU A 444
 None
 1.38A 2c8aC-3au0A:
undetectable		 2c8aC-3au0A:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 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)
 0.61A 2c8aC-3buzA:
22.6		 2c8aC-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) 		4 ARG A  88
SER A 134
ARG A 146
GLU A 174
 None
 0.30A 2c8aC-3bw8A:
30.6		 2c8aC-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
 1.36A 2c8aC-3bw8A:
30.6		 2c8aC-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)
 1.36A 2c8aC-3d4uA:
undetectable		 2c8aC-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.
3lms CARBOXYPEPTIDASE B2

(Homo sapiens) 		PF00246
(Peptidase_M14) 		4 SER A 199
SER A 197
PHE A 279
GLU A 270
 None
None
None
GLY  A 501 ( 4.6A)
 1.41A 2c8aC-3lmsA:
undetectable		 2c8aC-3lmsA:
21.70
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.
3o75 FRUCTOSE TRANSPORT
SYSTEM REPRESSOR
FRUR

(Pseudomonas
putida) 		PF00532
(Peripla_BP_1) 		4 ARG A 149
SER A 125
ARG A 188
GLU A 106
 F1X  A   1 (-3.5A)
None
None
None
 1.36A 2c8aC-3o75A:
undetectable		 2c8aC-3o75A:
20.83
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.
3o75 FRUCTOSE TRANSPORT
SYSTEM REPRESSOR
FRUR

(Pseudomonas
putida) 		PF00532
(Peripla_BP_1) 		4 SER A 125
SER A  99
ARG A 188
GLU A 106
 None
 1.31A 2c8aC-3o75A:
undetectable		 2c8aC-3o75A:
20.83
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.
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
 1.28A 2c8aC-3opbA:
undetectable		 2c8aC-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)
 1.36A 2c8aC-3oslA:
undetectable		 2c8aC-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.
3ozb METHYLTHIOADENOSINE
PHOSPHORYLASE

(Pseudomonas
aeruginosa) 		PF01048
(PNP_UDP_1) 		4 ARG A  59
SER A  16
ARG A 154
GLU A  93
 None
 1.43A 2c8aC-3ozbA:
undetectable		 2c8aC-3ozbA:
19.62
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.
3s8d COENZYME A
TRANSFERASE

(Yersinia pestis) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		4 ARG A  46
SER A  19
ARG A  49
GLU A  16
 None
 1.40A 2c8aC-3s8dA:
undetectable		 2c8aC-3s8dA:
18.02
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.
3ufk UNDA

(Shewanella sp.
HRCR_06) 		PF13435
(Cytochrome_C554) 		4 ARG A 732
SER A 733
ARG A 736
GLU A 715
 HEC  A 908 (-3.8A)
None
HEC  A 907 ( 3.2A)
None
 1.11A 2c8aC-3ufkA:
undetectable		 2c8aC-3ufkA:
13.78
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.
4aee ALPHA AMYLASE,
CATALYTIC REGION

(Staphylothermus
marinus) 		PF00128
(Alpha-amylase) 		4 ARG A 183
SER A 205
SER A 201
GLU A 198
 None
 1.29A 2c8aC-4aeeA:
undetectable		 2c8aC-4aeeA:
15.35
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.
4aqs LAMININ SUBUNIT
BETA-1

(Mus musculus) 		PF00053
(Laminin_EGF)
PF00055
(Laminin_N) 		4 ARG A 193
SER A 195
PHE A 166
ARG A 164
 None
 1.44A 2c8aC-4aqsA:
undetectable		 2c8aC-4aqsA:
17.49
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.
4fk7 PUTATIVE
ADP-RIBOSYLTRANSFERA
SE CERTHRAX

(Bacillus cereus) 		PF03496
(ADPrib_exo_Tox) 		4 ARG A 341
SER A 387
SER A 389
GLU A 431
 P34  A1001 (-3.6A)
P34  A1001 (-4.0A)
P34  A1001 (-3.1A)
P34  A1001 (-3.9A)
 0.58A 2c8aC-4fk7A:
23.2		 2c8aC-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
 1.29A 2c8aC-4fmsB:
undetectable		 2c8aC-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 2c8aC-4fnqA:
undetectable		 2c8aC-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.
4fxq PUTATIVE
ADP-RIBOSYLTRANSFERA
SE CERTHRAX

(Bacillus cereus) 		PF03496
(ADPrib_exo_Tox)
PF07737
(ATLF) 		4 ARG A 341
SER A 387
SER A 389
GLU A 431
 CL  A 503 ( 4.1A)
G9L  A 501 (-4.2A)
G9L  A 501 (-3.0A)
G9L  A 501 (-3.7A)
 0.52A 2c8aC-4fxqA:
24.0		 2c8aC-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
 1.21A 2c8aC-4gk8A:
undetectable		 2c8aC-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.
4ha4 BETA-GALACTOSIDASE

(Acidilobus
saccharovorans) 		PF00232
(Glyco_hydro_1) 		4 ARG A 247
SER A 109
ARG A 311
GLU A 101
 None
 1.47A 2c8aC-4ha4A:
undetectable		 2c8aC-4ha4A:
16.80
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.
4htz CGMP-DEPENDENT
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I) 		4 ARG A 728
SER A 724
ARG A 762
GLU A 727
 None
 1.07A 2c8aC-4htzA:
undetectable		 2c8aC-4htzA:
20.35
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.
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
 1.34A 2c8aC-4lixA:
undetectable		 2c8aC-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.
4m70 RX PROTEIN

(Solanum
tuberosum) 		no annotation 4 ARG A  74
SER A  71
SER A  73
GLU A  72
 None
 1.37A 2c8aC-4m70A:
undetectable		 2c8aC-4m70A:
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.
4oli NON-RECEPTOR
TYROSINE-PROTEIN
KINASE TYK2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 SER A 858
SER A 723
ARG A 864
GLU A 726
 None
 1.45A 2c8aC-4oliA:
undetectable		 2c8aC-4oliA:
15.56
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.
4olp GRPU
MICROCOMPARTMENT
SHELL PROTEIN

(Pectobacterium
parmentieri) 		PF00936
(BMC) 		4 ARG A  26
SER A  23
SER A  25
GLU A  24
 None
 0.90A 2c8aC-4olpA:
undetectable		 2c8aC-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.
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)
 1.32A 2c8aC-4uf4A:
undetectable		 2c8aC-4uf4A:
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.
4xaj MALTOSE-BINDING
PERIPLASMIC
PROTEIN,NUCLEAR
RECEPTOR SUBFAMILY 2
GROUP E MEMBER 1

(Escherichia
coli;
Homo sapiens) 		PF00104
(Hormone_recep)
PF13416
(SBP_bac_8) 		4 ARG A1223
SER A1354
ARG A1351
GLU A1264
 None
 1.25A 2c8aC-4xajA:
undetectable		 2c8aC-4xajA:
17.45
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 ARG B  97
SER B 142
ARG B 155
GLU B 185
 NAI  B 301 ( 2.7A)
NAI  B 301 (-3.3A)
NAI  B 301 (-3.1A)
NAI  B 301 (-3.2A)
 0.38A 2c8aC-4xshB:
26.3		 2c8aC-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.
4xwt DR2417

(Deinococcus
radiodurans) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		4 SER A 295
PHE A 241
ARG A 239
GLU A 269
 None
 1.35A 2c8aC-4xwtA:
undetectable		 2c8aC-4xwtA:
15.94
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.
4xzk PUTATIVE
NAD(+)--ARGININE
ADP-RIBOSYLTRANSFERA
SE VIS

(Vibrio
splendidus) 		PF03496
(ADPrib_exo_Tox) 		4 SER A 142
SER A 144
PHE A 153
GLU A 191
 AG2  A 700 (-3.4A)
None
AG2  A 700 (-4.3A)
AG2  A 700 (-2.9A)
 1.30A 2c8aC-4xzkA:
14.1		 2c8aC-4xzkA:
23.17
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.
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
 1.36A 2c8aC-4yzwA:
undetectable		 2c8aC-4yzwA:
13.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dzq TOXIN-LIKE PROTEIN

(Paenibacillus
larvae) 		PF03496
(ADPrib_exo_Tox) 		4 ARG A  73
SER A 118
SER A 120
ARG A 130
 None
 1.14A 2c8aC-5dzqA:
22.2		 2c8aC-5dzqA:
36.77
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.
5eo2 THIOESTERASE

(Staphylococcus
aureus) 		PF13279
(4HBT_2) 		4 ARG A  50
SER A  46
PHE A 128
GLU A  49
 None
 1.46A 2c8aC-5eo2A:
undetectable		 2c8aC-5eo2A:
20.55
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.
5f7u CYCLOALTERNAN-FORMIN
G ENZYME

(Listeria
monocytogenes) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16338
(DUF4968)
PF16990
(CBM_35) 		4 ARG A 701
SER A 690
SER A 702
ARG A 709
 None
 1.39A 2c8aC-5f7uA:
undetectable		 2c8aC-5f7uA:
12.81
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.
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)
 0.76A 2c8aC-5h04A:
19.8		 2c8aC-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)
 1.28A 2c8aC-5hvfA:
undetectable		 2c8aC-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 2c8aC-5ig0A:
undetectable		 2c8aC-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)
 1.31A 2c8aC-5j1qA:
undetectable		 2c8aC-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.
5ja9 NANOBODY 6

(Lama glama) 		PF07686
(V-set) 		4 SER A  54
SER A  58
PHE A  51
ARG A  36
 None
None
EDO  A 202 (-3.0A)
EDO  A 202 ( 3.9A)
 1.42A 2c8aC-5ja9A:
undetectable		 2c8aC-5ja9A:
17.76
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.
5jry NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Burkholderia
multivorans) 		PF00171
(Aldedh) 		4 ARG A 334
SER A 331
SER A 333
GLU A 332
 None
 1.37A 2c8aC-5jryA:
undetectable		 2c8aC-5jryA:
18.05
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.
5nbs BETA-GLUCOSIDASE

(Neurospora
crassa) 		no annotation 4 ARG A 591
SER A 589
SER A 649
PHE A 653
 None
 1.19A 2c8aC-5nbsA:
undetectable		 2c8aC-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
 1.27A 2c8aC-5o16A:
undetectable		 2c8aC-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.
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
 1.20A 2c8aC-5to3B:
undetectable		 2c8aC-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.
5u22 N2152

(Neocallimastix
frontalis) 		PF01229
(Glyco_hydro_39) 		4 ARG A 275
PHE A 272
ARG A 271
GLU A 222
 None
 1.31A 2c8aC-5u22A:
undetectable		 2c8aC-5u22A:
19.63
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.
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)
 0.99A 2c8aC-5urpA:
27.0		 2c8aC-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.
5wsg PRE-MRNA-SPLICING
FACTOR
CLF1,PRE-MRNA-SPLICI
NG FACTOR CLF1,CLF1

(Saccharomyces
cerevisiae) 		no annotation 4 SER d 220
PHE d 217
ARG d 186
GLU d 216
 None
 1.43A 2c8aC-5wsgd:
undetectable		 2c8aC-5wsgd:
20.08
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.
6cf6 TANKYRASE-1

(Mus musculus) 		no annotation 4 ARG A 440
SER A 404
SER A 437
GLU A 434
 None
 1.14A 2c8aC-6cf6A:
undetectable		 2c8aC-6cf6A:
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.
6cip PYRUVATE-FERREDOXIN
OXIDOREDUCTASE

(Moorella
thermoacetica) 		no annotation 4 ARG A 327
SER A 276
SER A 273
PHE A 367
 None
 1.48A 2c8aC-6cipA:
undetectable		 2c8aC-6cipA:
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.
6dnh PRE-MRNA 3' END
PROCESSING PROTEIN
WDR33

(Homo sapiens) 		no annotation 4 ARG B 227
SER B 221
ARG B 241
GLU B 203
 None
 1.47A 2c8aC-6dnhB:
undetectable		 2c8aC-6dnhB:
undetectable