SIMILAR PATTERNS OF AMINO ACIDS FOR 1ONI_B_BEZB503_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.
1bdb CIS-BIPHENYL-2,3-DIH
YDRODIOL-2,3-DEHYDRO
GENASE

(Pseudomonas sp.) 		PF00106
(adh_short) 		4 ALA A 107
ILE A  89
PRO A 194
GLU A 110
 None
 1.17A 1oniB-1bdbA:
0.7
1oniC-1bdbA:
0.9		 1oniB-1bdbA:
21.99
1oniC-1bdbA:
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.
1boo PROTEIN (N-4
CYTOSINE-SPECIFIC
METHYLTRANSFERASE
PVU II)

(Proteus
vulgaris) 		PF01555
(N6_N4_Mtase) 		4 ALA A 252
ILE A 259
PRO A 255
GLU A 256
 None
 1.21A 1oniB-1booA:
0.0
1oniC-1booA:
0.0		 1oniB-1booA:
19.14
1oniC-1booA:
19.14
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.
1c72 PROTEIN (GLUTATHIONE
S-TRANSFERASE)

(Gallus gallus) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 ARG A  17
ALA A  13
ILE A  75
PRO A  60
 None
None
None
EPY  A 220 (-4.3A)
 1.19A 1oniB-1c72A:
0.0
1oniC-1c72A:
0.0		 1oniB-1c72A:
20.48
1oniC-1c72A:
20.48
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.
1ece ENDOCELLULASE E1

(Acidothermus
cellulolyticus) 		PF00150
(Cellulase) 		4 ALA A 125
TYR A 128
ILE A 176
PRO A 166
 None
 1.14A 1oniB-1eceA:
1.1
1oniC-1eceA:
0.1		 1oniB-1eceA:
16.67
1oniC-1eceA:
16.67
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.
1eu1 DIMETHYL SULFOXIDE
REDUCTASE

(Rhodobacter
sphaeroides) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		4 ALA A 508
TYR A 506
ILE A  49
GLU A 480
 None
 1.23A 1oniB-1eu1A:
0.3
1oniC-1eu1A:
0.0		 1oniB-1eu1A:
14.08
1oniC-1eu1A:
14.08
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.
1f4h BETA-GALACTOSIDASE

(Escherichia
coli) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		4 ALA A  29
ILE A 142
PRO A 168
GLU A 170
 None
 1.26A 1oniB-1f4hA:
0.0
1oniC-1f4hA:
0.0		 1oniB-1f4hA:
9.20
1oniC-1f4hA:
9.20
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.
1f4h BETA-GALACTOSIDASE

(Escherichia
coli) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		4 ARG A 857
ALA A 833
ILE A 749
PRO A 738
 None
 1.28A 1oniB-1f4hA:
0.0
1oniC-1f4hA:
0.0		 1oniB-1f4hA:
9.20
1oniC-1f4hA:
9.20
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.
1f8v MATURE CAPSID
PROTEIN BETA
MATURE CAPSID
PROTEIN GAMMA

(Pariacoto
virus;
Pariacoto virus) 		PF01829
(Peptidase_A6)
no annotation 		4 ALA A 341
TYR D 400
ILE A  77
PRO A  78
 None
 1.18A 1oniB-1f8vA:
0.0
1oniC-1f8vA:
0.0		 1oniB-1f8vA:
18.46
1oniC-1f8vA:
18.46
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.
1gc7 RADIXIN

(Mus musculus) 		PF00373
(FERM_M)
PF09379
(FERM_N)
PF09380
(FERM_C) 		4 ALA A 148
TYR A 146
ILE A 172
GLU A 169
 ALA  A 148 ( 0.0A)
TYR  A 146 ( 1.3A)
ILE  A 172 ( 0.7A)
GLU  A 169 ( 0.6A)
 1.29A 1oniB-1gc7A:
undetectable
1oniC-1gc7A:
undetectable		 1oniB-1gc7A:
17.03
1oniC-1gc7A:
17.03
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.
1gtu GLUTATHIONE
S-TRANSFERASE

(Homo sapiens) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		4 ARG A  17
ALA A  13
ILE A  75
PRO A  60
 None
 1.24A 1oniB-1gtuA:
undetectable
1oniC-1gtuA:
undetectable		 1oniB-1gtuA:
21.80
1oniC-1gtuA:
21.80
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.
1h04 COMPLEMENT
DECAY-ACCELERATING
FACTOR

(Homo sapiens) 		PF00084
(Sushi) 		4 ARG P  65
ALA P  41
ILE P  13
PRO P  62
 None
 1.20A 1oniB-1h04P:
undetectable
1oniC-1h04P:
undetectable		 1oniB-1h04P:
21.15
1oniC-1h04P:
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.
1hna GLUTATHIONE
S-TRANSFERASE

(Homo sapiens) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 ARG A  17
ALA A  13
ILE A  75
PRO A  60
 None
None
None
GDN  A 218 ( 4.6A)
 1.27A 1oniB-1hnaA:
undetectable
1oniC-1hnaA:
undetectable		 1oniB-1hnaA:
23.33
1oniC-1hnaA:
23.33
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.
1iyx ENOLASE

(Enterococcus
hirae) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		4 ALA A 177
TYR A 403
ILE A 166
PRO A 168
 None
 1.08A 1oniB-1iyxA:
undetectable
1oniC-1iyxA:
undetectable		 1oniB-1iyxA:
15.70
1oniC-1iyxA:
15.70
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.
1j32 ASPARTATE
AMINOTRANSFERASE

(Phormidium
lapideum) 		PF00155
(Aminotran_1_2) 		4 ALA A 187
TYR A 180
ILE A 156
PRO A 153
 None
 1.20A 1oniB-1j32A:
undetectable
1oniC-1j32A:
undetectable		 1oniB-1j32A:
16.58
1oniC-1j32A:
16.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1j7h HYPOTHETICAL PROTEIN
HI0719

(Haemophilus
influenzae) 		PF01042
(Ribonuc_L-PSP) 		4 TYR A  18
ILE A  34
PRO A 116
GLU A 122
 None
 0.55A 1oniB-1j7hA:
18.7
1oniC-1j7hA:
18.9		 1oniB-1j7hA:
42.96
1oniC-1j7hA:
42.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jd1 HYPOTHETICAL 13.9
KDA PROTEIN IN
FCY2-PET117
INTERGENIC REGION

(Saccharomyces
cerevisiae) 		PF01042
(Ribonuc_L-PSP) 		4 TYR A  20
ILE A  36
PRO A 114
GLU A 120
 None
 0.35A 1oniB-1jd1A:
23.1
1oniC-1jd1A:
23.0		 1oniB-1jd1A:
38.64
1oniC-1jd1A:
38.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l5j ACONITATE HYDRATASE
2

(Escherichia
coli) 		PF00330
(Aconitase)
PF06434
(Aconitase_2_N)
PF11791
(Aconitase_B_N) 		4 ARG A 159
ALA A 341
ILE A 349
PRO A 346
 None
 1.28A 1oniB-1l5jA:
undetectable
1oniC-1l5jA:
undetectable		 1oniB-1l5jA:
13.63
1oniC-1l5jA:
13.63
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.
1mmf GLYCEROL DEHYDRASE
BETA SUBUNIT

(Klebsiella
pneumoniae) 		PF02288
(Dehydratase_MU) 		4 ARG B  70
ALA B  21
ILE B  74
PRO B 184
 None
 1.16A 1oniB-1mmfB:
undetectable
1oniC-1mmfB:
undetectable		 1oniB-1mmfB:
20.41
1oniC-1mmfB:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1odo PUTATIVE CYTOCHROME
P450 154A1

(Streptomyces
coelicolor) 		PF00067
(p450) 		4 ARG A 141
ALA A 145
ILE A 150
PRO A 149
 None
 1.06A 1oniB-1odoA:
undetectable
1oniC-1odoA:
undetectable		 1oniB-1odoA:
19.55
1oniC-1odoA:
19.55
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.
1odt CEPHALOSPORIN C
DEACETYLASE

(Bacillus
subtilis) 		PF05448
(AXE1) 		4 ALA C 200
TYR C  88
ILE C 175
PRO C 197
 None
 1.17A 1oniB-1odtC:
undetectable
1oniC-1odtC:
undetectable		 1oniB-1odtC:
17.72
1oniC-1odtC:
17.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1oni 14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN

(Homo sapiens) 		PF01042
(Ribonuc_L-PSP) 		4 TYR A  21
ILE A  37
PRO A 116
GLU A 122
 None
 0.36A 1oniB-1oniA:
26.7
1oniC-1oniA:
26.6		 1oniB-1oniA:
100.00
1oniC-1oniA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qah PERCHLORIC ACID
SOLUBLE PROTEIN

(Rattus
norvegicus) 		PF01042
(Ribonuc_L-PSP) 		4 TYR A  20
ILE A  36
PRO A 115
GLU A 121
 None
 0.16A 1oniB-1qahA:
26.5
1oniC-1qahA:
26.5		 1oniB-1qahA:
87.50
1oniC-1qahA:
87.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qd9 PURINE REGULATORY
PROTEIN YABJ

(Bacillus
subtilis) 		PF01042
(Ribonuc_L-PSP) 		4 TYR A  17
ILE A  33
PRO A 111
GLU A 117
 None
 0.47A 1oniB-1qd9A:
23.3
1oniC-1qd9A:
23.2		 1oniB-1qd9A:
42.22
1oniC-1qd9A:
42.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qu9 YJGF PROTEIN

(Escherichia
coli) 		PF01042
(Ribonuc_L-PSP) 		4 TYR A  17
ILE A  33
PRO A 114
GLU A 120
 None
 0.42A 1oniB-1qu9A:
21.9
1oniC-1qu9A:
21.8		 1oniB-1qu9A:
44.78
1oniC-1qu9A:
44.78
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.
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 1

(Streptomyces
coelicolor) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 ALA A 308
TYR A 305
ILE A 340
GLU A 355
 None
None
None
MG  A1095 (-2.8A)
 1.13A 1oniB-1tqyA:
undetectable
1oniC-1tqyA:
undetectable		 1oniB-1tqyA:
15.49
1oniC-1tqyA:
15.49
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.
1tu7 GLUTATHIONE
S-TRANSFERASE 2

(Onchocerca
volvulus) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		4 ARG A  18
ALA A  14
ILE A  66
PRO A  51
 None
None
None
GSH  A1001 (-4.3A)
 1.25A 1oniB-1tu7A:
undetectable
1oniC-1tu7A:
undetectable		 1oniB-1tu7A:
25.13
1oniC-1tu7A:
25.13
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.
1v40 GLUTATHIONE-REQUIRIN
G PROSTAGLANDIN D
SYNTHASE

(Homo sapiens) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		4 ARG A  19
ALA A  15
ILE A  53
PRO A  52
 None
None
None
GSH  A3200 ( 4.5A)
 1.26A 1oniB-1v40A:
undetectable
1oniC-1v40A:
undetectable		 1oniB-1v40A:
19.10
1oniC-1v40A:
19.10
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.
1vzv VARICELLA-ZOSTER
VIRUS PROTEASE

(Human
alphaherpesvirus
3) 		PF00716
(Peptidase_S21) 		4 ARG A 148
ALA A  20
ILE A  64
PRO A  71
 None
 1.18A 1oniB-1vzvA:
undetectable
1oniC-1vzvA:
undetectable		 1oniB-1vzvA:
23.38
1oniC-1vzvA:
23.38
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.
1w27 PHENYLALANINE
AMMONIA-LYASE 1

(Petroselinum
crispum) 		PF00221
(Lyase_aromatic) 		4 ARG A 376
ILE A 405
PRO A 404
GLU A 377
 None
 1.17A 1oniB-1w27A:
undetectable
1oniC-1w27A:
undetectable		 1oniB-1w27A:
12.30
1oniC-1w27A:
12.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1x25 HYPOTHETICAL UPF0076
PROTEIN ST0811

(Sulfurisphaera
tokodaii) 		PF01042
(Ribonuc_L-PSP) 		4 TYR A  16
ILE A  32
PRO A 111
GLU A 117
 None
 0.43A 1oniB-1x25A:
24.1
1oniC-1x25A:
24.1		 1oniB-1x25A:
43.61
1oniC-1x25A:
43.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xrg PUTATIVE TRANSLATION
INITIATION
INHIBITOR, YJGF
FAMILY

(Ruminiclostridium
thermocellum) 		PF01042
(Ribonuc_L-PSP) 		4 TYR A  18
ILE A  34
PRO A 113
GLU A 119
 UNX  A 509 (-3.7A)
None
None
None
 0.48A 1oniB-1xrgA:
23.9
1oniC-1xrgA:
23.9		 1oniB-1xrgA:
44.52
1oniC-1xrgA:
44.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2b33 PROTEIN SYNTHESIS
INHIBITOR, PUTATIVE

(Thermotoga
maritima) 		PF01042
(Ribonuc_L-PSP) 		4 TYR A  17
ILE A  33
PRO A 112
GLU A 118
 None
 0.39A 1oniB-2b33A:
23.1
1oniC-2b33A:
23.1		 1oniB-2b33A:
42.14
1oniC-2b33A:
42.14
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.
2b3x IRON-RESPONSIVE
ELEMENT BINDING
PROTEIN 1

(Homo sapiens) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		4 ALA A 783
TYR A 774
ILE A 792
PRO A 787
 None
 1.19A 1oniB-2b3xA:
undetectable
1oniC-2b3xA:
undetectable		 1oniB-2b3xA:
10.84
1oniC-2b3xA:
10.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b3x IRON-RESPONSIVE
ELEMENT BINDING
PROTEIN 1

(Homo sapiens) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		4 ALA A 784
TYR A 774
ILE A 792
PRO A 787
 None
 1.20A 1oniB-2b3xA:
undetectable
1oniC-2b3xA:
undetectable		 1oniB-2b3xA:
10.84
1oniC-2b3xA:
10.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2cwj PUTATIVE
ENDONUCLEASE

(Aeropyrum
pernix) 		PF01042
(Ribonuc_L-PSP) 		4 TYR A  11
ILE A  27
PRO A 106
GLU A 112
 None
 0.77A 1oniB-2cwjA:
19.3
1oniC-2cwjA:
19.3		 1oniB-2cwjA:
39.86
1oniC-2cwjA:
39.86
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.
2dc5 GLUTATHIONE
S-TRANSFERASE, MU 7

(Mus musculus) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		4 ARG A  25
ALA A  21
ILE A  83
PRO A  68
 None
 1.23A 1oniB-2dc5A:
undetectable
1oniC-2dc5A:
undetectable		 1oniB-2dc5A:
20.99
1oniC-2dc5A:
20.99
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.
2eq5 228AA LONG
HYPOTHETICAL
HYDANTOIN RACEMASE

(Pyrococcus
horikoshii) 		PF01177
(Asp_Glu_race) 		4 ALA A  85
ILE A  48
PRO A  84
GLU A  54
 None
 1.15A 1oniB-2eq5A:
undetectable
1oniC-2eq5A:
undetectable		 1oniB-2eq5A:
21.27
1oniC-2eq5A:
21.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f9i ACETYL-COENZYME A
CARBOXYLASE CARBOXYL
TRANSFERASE SUBUNIT
BETA

(Staphylococcus
aureus) 		PF01039
(Carboxyl_trans) 		4 ALA B  86
ILE B 175
PRO B  88
GLU B 172
 None
 1.14A 1oniB-2f9iB:
undetectable
1oniC-2f9iB:
undetectable		 1oniB-2f9iB:
17.56
1oniC-2f9iB:
17.56
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.
2fym ENOLASE

(Escherichia
coli) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		4 ALA A 181
TYR A 405
ILE A 170
PRO A 172
 None
 1.07A 1oniB-2fymA:
undetectable
1oniC-2fymA:
undetectable		 1oniB-2fymA:
17.80
1oniC-2fymA:
17.80
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.
2g17 N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE
REDUCTASE

(Salmonella
enterica) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		4 ARG A 213
ILE A 218
PRO A 156
GLU A 217
 SO4  A 410 (-3.0A)
None
None
None
 0.95A 1oniB-2g17A:
undetectable
1oniC-2g17A:
undetectable		 1oniB-2g17A:
19.53
1oniC-2g17A:
19.53
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.
2g7j PUTATIVE CYTOPLASMIC
PROTEIN

(Salmonella
enterica) 		PF09400
(DUF2002) 		4 ARG A  46
ALA A  66
ILE A  50
PRO A  93
 None
 1.19A 1oniB-2g7jA:
undetectable
1oniC-2g7jA:
undetectable		 1oniB-2g7jA:
20.69
1oniC-2g7jA:
20.69
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.
2hnl GLUTATHIONE
S-TRANSFERASE 1

(Onchocerca
volvulus) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		4 ARG A  43
ALA A  39
ILE A  91
PRO A  76
 None
None
None
GSH  A 501 (-4.4A)
 1.28A 1oniB-2hnlA:
undetectable
1oniC-2hnlA:
undetectable		 1oniB-2hnlA:
20.00
1oniC-2hnlA:
20.00
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.
2ivy HYPOTHETICAL PROTEIN
SSO1404

(Sulfolobus
solfataricus) 		PF09827
(CRISPR_Cas2) 		4 ARG A  31
ALA A  21
TYR A  34
ILE A  11
 None
 1.27A 1oniB-2ivyA:
undetectable
1oniC-2ivyA:
undetectable		 1oniB-2ivyA:
21.54
1oniC-2ivyA:
21.54
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.
2p3x POLYPHENOL OXIDASE,
CHLOROPLAST

(Vitis vinifera) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		4 ALA A  51
TYR A  62
ILE A 267
PRO A 153
 None
 1.26A 1oniB-2p3xA:
undetectable
1oniC-2p3xA:
undetectable		 1oniB-2p3xA:
16.96
1oniC-2p3xA:
16.96
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.
2pa6 ENOLASE

(Methanocaldococcus
jannaschii) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		4 ALA A 184
TYR A 403
ILE A 173
PRO A 175
 None
 1.04A 1oniB-2pa6A:
undetectable
1oniC-2pa6A:
undetectable		 1oniB-2pa6A:
17.28
1oniC-2pa6A:
17.28
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.
2qp2 UNKNOWN PROTEIN

(Photorhabdus
laumondii) 		PF01823
(MACPF) 		4 ARG A  28
ALA A  41
ILE A  70
PRO A  90
 None
 0.95A 1oniB-2qp2A:
undetectable
1oniC-2qp2A:
undetectable		 1oniB-2qp2A:
21.99
1oniC-2qp2A:
21.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2uyk PROTEIN TDCF

(Escherichia
coli) 		PF01042
(Ribonuc_L-PSP) 		4 TYR A  17
ILE A  33
PRO A 114
GLU A 120
 None
 0.23A 1oniB-2uykA:
22.3
1oniC-2uykA:
22.3		 1oniB-2uykA:
39.01
1oniC-2uykA:
39.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wl3 CATECHOL
2,3-DIOXYGENASE

(Rhodococcus sp.
DK17) 		PF00903
(Glyoxalase) 		4 ALA A 226
TYR A  23
ILE A 215
PRO A 264
 None
 1.21A 1oniB-2wl3A:
undetectable
1oniC-2wl3A:
undetectable		 1oniB-2wl3A:
17.11
1oniC-2wl3A:
17.11
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.
3a2k TRNA(ILE)-LYSIDINE
SYNTHASE

(Geobacillus
kaustophilus) 		PF01171
(ATP_bind_3)
PF09179
(TilS)
PF11734
(TilS_C) 		4 ALA A 124
TYR A 122
ILE A   9
PRO A 166
 None
 1.17A 1oniB-3a2kA:
undetectable
1oniC-3a2kA:
undetectable		 1oniB-3a2kA:
17.18
1oniC-3a2kA:
17.18
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.
3au7 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Archaeoglobus
fulgidus) 		PF01336
(tRNA_anti-codon)
PF08489
(DUF1743) 		4 ARG A 217
ALA A 247
ILE A 409
PRO A 407
 AG2  A7011 (-3.5A)
None
None
None
 1.20A 1oniB-3au7A:
undetectable
1oniC-3au7A:
undetectable		 1oniB-3au7A:
17.77
1oniC-3au7A:
17.77
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.
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis) 		PF01266
(DAO) 		4 ARG A  21
ALA A  22
TYR A 156
ILE A 359
 None
 1.25A 1oniB-3dmeA:
undetectable
1oniC-3dmeA:
undetectable		 1oniB-3dmeA:
18.77
1oniC-3dmeA:
18.77
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.
3do6 FORMATE--TETRAHYDROF
OLATE LIGASE

(Thermotoga
maritima) 		PF01268
(FTHFS) 		4 ARG A 222
ALA A 503
ILE A 193
GLU A 189
 None
 1.10A 1oniB-3do6A:
undetectable
1oniC-3do6A:
undetectable		 1oniB-3do6A:
14.81
1oniC-3do6A:
14.81
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.
3e2s PROLINE
DEHYDROGENASE

(Escherichia
coli) 		PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		4 ARG A 555
ALA A 436
TYR A 552
GLU A 559
 PRO  A   1 (-3.8A)
FAD  A2001 (-3.3A)
PRO  A   1 (-4.7A)
FAD  A2001 (-2.8A)
 1.22A 1oniB-3e2sA:
undetectable
1oniC-3e2sA:
undetectable		 1oniB-3e2sA:
15.46
1oniC-3e2sA:
15.46
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.
3fdg DIPEPTIDASE AC.
METALLO PEPTIDASE.
MEROPS FAMILY M19

(Rhodobacter
sphaeroides) 		PF01244
(Peptidase_M19) 		4 ARG A 122
ALA A 118
TYR A 346
ILE A 133
 None
 1.22A 1oniB-3fdgA:
undetectable
1oniC-3fdgA:
undetectable		 1oniB-3fdgA:
16.47
1oniC-3fdgA:
16.47
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.
3fmy HTH-TYPE
TRANSCRIPTIONAL
REGULATOR MQSA
(YGIT/B3021)

(Escherichia
coli) 		PF15731
(MqsA_antitoxin) 		4 ARG A 101
ALA A 107
ILE A  74
PRO A 109
 None
MEQ  A 108 ( 3.1A)
None
MEQ  A 108 ( 2.6A)
 0.89A 1oniB-3fmyA:
undetectable
1oniC-3fmyA:
undetectable		 1oniB-3fmyA:
20.14
1oniC-3fmyA:
20.14
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.
3gnl UNCHARACTERIZED
PROTEIN, DUF633,
LMOF2365_1472

(Listeria
monocytogenes) 		PF04816
(TrmK) 		4 ARG A 137
ALA A 133
ILE A 108
PRO A 129
 None
 1.14A 1oniB-3gnlA:
undetectable
1oniC-3gnlA:
undetectable		 1oniB-3gnlA:
20.08
1oniC-3gnlA:
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.
3gs6 BETA-HEXOSAMINIDASE

(Vibrio cholerae) 		PF00933
(Glyco_hydro_3) 		4 ALA A 218
TYR A 223
ILE A 184
PRO A 163
 None
 0.89A 1oniB-3gs6A:
undetectable
1oniC-3gs6A:
undetectable		 1oniB-3gs6A:
18.24
1oniC-3gs6A:
18.24
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.
3gu3 METHYLTRANSFERASE

(Bacillus cereus) 		PF13847
(Methyltransf_31) 		4 ALA A 114
ILE A 186
PRO A 144
GLU A 143
 SAH  A 401 (-4.4A)
None
None
None
 1.19A 1oniB-3gu3A:
undetectable
1oniC-3gu3A:
undetectable		 1oniB-3gu3A:
17.50
1oniC-3gu3A:
17.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ifs GLUCOSE-6-PHOSPHATE
ISOMERASE

(Bacillus
anthracis) 		PF00342
(PGI) 		4 TYR A  55
ILE A  63
PRO A 214
GLU A  59
 None
 1.15A 1oniB-3ifsA:
undetectable
1oniC-3ifsA:
undetectable		 1oniB-3ifsA:
15.96
1oniC-3ifsA:
15.96
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.
3j2s COAGULATION FACTOR
VIII LIGHT CHAIN

(Homo sapiens) 		PF00754
(F5_F8_type_C)
PF07731
(Cu-oxidase_2) 		4 ARG B1764
ILE B1700
PRO B1761
GLU B1737
 None
 1.21A 1oniB-3j2sB:
undetectable
1oniC-3j2sB:
undetectable		 1oniB-3j2sB:
13.18
1oniC-3j2sB:
13.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3k0t ENDORIBONUCLEASE
L-PSP, PUTATIVE

(Pseudomonas
syringae group
genomosp. 3) 		PF01042
(Ribonuc_L-PSP) 		4 TYR A  18
ILE A  34
PRO A 112
GLU A 118
 BGC  A 127 (-3.1A)
BGC  A 127 (-4.0A)
None
BGC  A 127 (-3.5A)
 0.56A 1oniB-3k0tA:
23.1
1oniC-3k0tA:
23.3		 1oniB-3k0tA:
40.94
1oniC-3k0tA:
40.94
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.
3l6e OXIDOREDUCTASE,
SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY

(Aeromonas
hydrophila) 		PF00106
(adh_short) 		4 ARG A  17
ALA A  18
ILE A 181
PRO A 200
 None
 1.28A 1oniB-3l6eA:
undetectable
1oniC-3l6eA:
undetectable		 1oniB-3l6eA:
22.61
1oniC-3l6eA:
22.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mqw PUTATIVE
ENDORIBONUCLEASE
L-PSP

(Entamoeba
histolytica) 		PF01042
(Ribonuc_L-PSP) 		4 TYR A  19
ILE A  35
PRO A 114
GLU A 120
 FLC  A 140 (-4.0A)
FLC  A 140 (-4.8A)
FLC  A 140 (-4.5A)
FLC  A 140 (-2.8A)
 0.41A 1oniB-3mqwA:
22.8
1oniC-3mqwA:
22.8		 1oniB-3mqwA:
42.75
1oniC-3mqwA:
42.75
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.
3ouh EGL NINE HOMOLOG 1

(Homo sapiens) 		PF13640
(2OG-FeII_Oxy_3) 		4 ARG A 383
ALA A 385
TYR A 303
ILE A 256
 014  A 417 (-3.1A)
014  A 417 ( 3.9A)
None
None
 1.01A 1oniB-3ouhA:
undetectable
1oniC-3ouhA:
undetectable		 1oniB-3ouhA:
20.00
1oniC-3ouhA:
20.00
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.
3oui EGL NINE HOMOLOG 1

(Homo sapiens) 		PF13640
(2OG-FeII_Oxy_3) 		4 ARG A 383
ALA A 385
TYR A 303
ILE A 256
 42Z  A 393 (-2.9A)
42Z  A 393 ( 4.3A)
None
None
 0.96A 1oniB-3ouiA:
undetectable
1oniC-3ouiA:
undetectable		 1oniB-3ouiA:
21.23
1oniC-3ouiA:
21.23
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.
3prv NUCLEOSIDE
DIPHOSPHATE KINASE

(Trypanosoma
cruzi) 		PF00334
(NDK) 		4 ALA A  47
TYR A  66
ILE A  72
PRO A  42
 None
 1.18A 1oniB-3prvA:
undetectable
1oniC-3prvA:
undetectable		 1oniB-3prvA:
22.75
1oniC-3prvA:
22.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3quw PROTEIN MMF1

(Saccharomyces
cerevisiae) 		PF01042
(Ribonuc_L-PSP) 		4 TYR A  36
ILE A  52
PRO A 130
GLU A 136
 None
 0.33A 1oniB-3quwA:
22.4
1oniC-3quwA:
22.5		 1oniB-3quwA:
32.68
1oniC-3quwA:
32.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3r0p L-PSP PUTATIVE
ENDORIBONUCLEASE

(uncultured
organism) 		PF01042
(Ribonuc_L-PSP) 		4 TYR A  19
ILE A  35
PRO A 114
GLU A 120
 None
 0.49A 1oniB-3r0pA:
23.2
1oniC-3r0pA:
23.4		 1oniB-3r0pA:
43.18
1oniC-3r0pA:
43.18
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.
3tqp ENOLASE

(Coxiella
burnetii) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		4 ALA A 180
TYR A 401
ILE A 169
PRO A 171
 None
 1.02A 1oniB-3tqpA:
undetectable
1oniC-3tqpA:
undetectable		 1oniB-3tqpA:
16.47
1oniC-3tqpA:
16.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vcz ENDORIBONUCLEASE
L-PSP

(Vibrio
vulnificus) 		PF01042
(Ribonuc_L-PSP) 		4 TYR A  17
ILE A  33
PRO A 115
GLU A 121
 None
 0.37A 1oniB-3vczA:
21.5
1oniC-3vczA:
21.5		 1oniB-3vczA:
37.01
1oniC-3vczA:
37.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cak INTEGRIN ALPHA-IIB

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		4 ALA A 583
TYR A 432
ILE A 498
PRO A 499
 None
 1.15A 1oniB-4cakA:
undetectable
1oniC-4cakA:
undetectable		 1oniB-4cakA:
9.67
1oniC-4cakA:
9.67
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.
4cv5 GENERAL NEGATIVE
REGULATOR OF
TRANSCRIPTION
SUBUNIT 1

(Saccharomyces
cerevisiae) 		PF12842
(DUF3819) 		4 ARG A1101
ALA A1097
ILE A1196
PRO A1072
 None
 1.12A 1oniB-4cv5A:
undetectable
1oniC-4cv5A:
undetectable		 1oniB-4cv5A:
20.28
1oniC-4cv5A:
20.28
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.
4f36 NUCLEOSIDE
DIPHOSPHATE KINASE

(Trypanosoma
brucei) 		PF00334
(NDK) 		4 ALA A  47
TYR A  66
ILE A  72
PRO A  42
 None
 1.15A 1oniB-4f36A:
undetectable
1oniC-4f36A:
undetectable		 1oniB-4f36A:
23.31
1oniC-4f36A:
23.31
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.
4f5x RNA-DIRECTED RNA
POLYMERASE

(Rotavirus A) 		PF02123
(RdRP_4)
PF12289
(Rotavirus_VP1) 		4 ARG W 814
ILE W 471
PRO W 435
GLU W 390
 None
 1.02A 1oniB-4f5xW:
undetectable
1oniC-4f5xW:
undetectable		 1oniB-4f5xW:
8.95
1oniC-4f5xW:
8.95
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.
4gvf BETA-HEXOSAMINIDASE

(Salmonella
enterica) 		PF00933
(Glyco_hydro_3) 		4 ALA A 224
TYR A 229
ILE A 189
PRO A 166
 None
 0.99A 1oniB-4gvfA:
undetectable
1oniC-4gvfA:
undetectable		 1oniB-4gvfA:
15.34
1oniC-4gvfA:
15.34
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.
4hkx HEMAGGLUTININ HA1

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		4 ALA E 200
TYR E 195
ILE E 217
PRO E 215
 None
 1.15A 1oniB-4hkxE:
undetectable
1oniC-4hkxE:
undetectable		 1oniB-4hkxE:
20.39
1oniC-4hkxE:
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.
4k5r OXYGENASE

(Streptomyces
argillaceus) 		PF01494
(FAD_binding_3) 		4 ARG A 358
ALA A 355
TYR A 231
ILE A 300
 None
 1.29A 1oniB-4k5rA:
undetectable
1oniC-4k5rA:
undetectable		 1oniB-4k5rA:
15.08
1oniC-4k5rA:
15.08
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.
4ls3 NICKEL (III) ABC
TRANSPORTER,
PERIPLASMIC
IRON-BINDIN GPROTEIN

(Helicobacter
pylori) 		PF01497
(Peripla_BP_2) 		4 ALA A  65
TYR A  56
ILE A 155
PRO A 287
 None
 1.27A 1oniB-4ls3A:
undetectable
1oniC-4ls3A:
undetectable		 1oniB-4ls3A:
19.69
1oniC-4ls3A:
19.69
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.
4mks ENOLASE 2

(Lactobacillus
gasseri) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		4 ALA A 178
TYR A 403
ILE A 167
PRO A 169
 None
 1.03A 1oniB-4mksA:
undetectable
1oniC-4mksA:
undetectable		 1oniB-4mksA:
17.02
1oniC-4mksA:
17.02
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.
4n30 PROTEIN DISULFIDE
ISOMERASE

(Pseudomonas
aeruginosa) 		PF13462
(Thioredoxin_4) 		4 ARG A 107
ALA A 106
ILE A 172
PRO A  94
 None
 1.09A 1oniB-4n30A:
undetectable
1oniC-4n30A:
undetectable		 1oniB-4n30A:
17.89
1oniC-4n30A:
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.
4o8a BIFUNCTIONAL PROTEIN
PUTA

(Escherichia
coli) 		PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		4 ARG A 555
ALA A 436
TYR A 552
GLU A 559
 2OP  A2002 (-3.6A)
FAD  A2001 ( 3.5A)
2OP  A2002 (-4.7A)
FAD  A2001 (-2.7A)
 1.22A 1oniB-4o8aA:
undetectable
1oniC-4o8aA:
undetectable		 1oniB-4o8aA:
14.08
1oniC-4o8aA:
14.08
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.
4o9x TCDB2, TCCC3

(Photorhabdus
luminescens) 		PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN) 		4 ALA A2064
TYR A2086
ILE A1784
GLU A1798
 None
 1.09A 1oniB-4o9xA:
undetectable
1oniC-4o9xA:
undetectable		 1oniB-4o9xA:
5.07
1oniC-4o9xA:
5.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q5q GLUTATHIONE
S-TRANSFERASE

(Dermatophagoides
pteronyssinus) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		4 ARG A  19
ALA A  15
ILE A  77
PRO A  62
 None
 1.23A 1oniB-4q5qA:
undetectable
1oniC-4q5qA:
undetectable		 1oniB-4q5qA:
22.03
1oniC-4q5qA:
22.03
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.
4qaw XYN30D

(Paenibacillus
barcinonensis) 		PF03422
(CBM_6)
PF17189
(Glyco_hydro_30C) 		4 ALA A 200
TYR A 212
ILE A 181
PRO A 172
 None
 1.03A 1oniB-4qawA:
2.2
1oniC-4qawA:
undetectable		 1oniB-4qawA:
14.77
1oniC-4qawA:
14.77
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.
4r8e 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Yersinia pestis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 ARG A 249
ALA A 246
ILE A 177
GLU A 242
 None
 1.09A 1oniB-4r8eA:
undetectable
1oniC-4r8eA:
undetectable		 1oniB-4r8eA:
16.42
1oniC-4r8eA:
16.42
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.
4w66 GLUTATHIONE
S-TRANSFERASE DOMAIN
PROTEIN

(Haliangium
ochraceum) 		PF14497
(GST_C_3) 		4 ARG A  20
ALA A  16
ILE A  71
PRO A  56
 None
 1.15A 1oniB-4w66A:
undetectable
1oniC-4w66A:
undetectable		 1oniB-4w66A:
21.49
1oniC-4w66A:
21.49
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.
4wj0 CRISPR-ASSOCIATED
ENDONUCLEASE CAS1

(Pyrococcus
horikoshii) 		PF01867
(Cas_Cas1) 		4 ARG A 192
ALA A 195
TYR A 275
ILE A 298
 None
 1.14A 1oniB-4wj0A:
undetectable
1oniC-4wj0A:
undetectable		 1oniB-4wj0A:
21.05
1oniC-4wj0A:
21.05
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.
4wsp PROTEIN DL-RV1738

(Mycobacterium
tuberculosis) 		PF08962
(DUF1876) 		4 ARG A  65
ALA A  45
ILE A  57
PRO A  49
 CL  A 101 ( 3.5A)
CL  A 101 ( 4.0A)
None
None
 1.06A 1oniB-4wspA:
undetectable
1oniC-4wspA:
undetectable		 1oniB-4wspA:
26.09
1oniC-4wspA:
26.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yg7 SERINE/THREONINE-PRO
TEIN KINASE HIPA

(Escherichia
coli) 		PF07804
(HipA_C)
PF13657
(Couple_hipA) 		4 ALA D 159
TYR D 132
ILE D 169
PRO D 170
 None
 1.20A 1oniB-4yg7D:
undetectable
1oniC-4yg7D:
undetectable		 1oniB-4yg7D:
17.63
1oniC-4yg7D:
17.63
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.
4zxg GLUTATHIONE
S-TRANSFERASE

(Plasmodium
falciparum) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		4 ARG A  20
ALA A  16
ILE A  75
PRO A  60
 None
 1.22A 1oniB-4zxgA:
undetectable
1oniC-4zxgA:
undetectable		 1oniB-4zxgA:
22.95
1oniC-4zxgA:
22.95
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.
5caa NUCLEOSIDE
DIPHOSPHATE KINASE

(Leishmania
major) 		PF00334
(NDK) 		4 ALA A  47
TYR A  66
ILE A  72
PRO A  42
 None
 1.17A 1oniB-5caaA:
undetectable
1oniC-5caaA:
undetectable		 1oniB-5caaA:
24.14
1oniC-5caaA:
24.14
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.
5h8w ATP-DEPENDENT DNA
HELICASE TA0057

(Thermoplasma
acidophilum) 		PF06733
(DEAD_2)
PF06777
(HBB)
PF13307
(Helicase_C_2) 		4 ALA A 151
ILE A  68
PRO A  84
GLU A  64
 None
 1.16A 1oniB-5h8wA:
undetectable
1oniC-5h8wA:
undetectable		 1oniB-5h8wA:
15.15
1oniC-5h8wA:
15.15
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.
5ix8 PUTATIVE SUGAR ABC
TRANSPORT SYSTEM,
SUBSTRATE-BINDING
PROTEIN

(Bordetella
parapertussis) 		PF13407
(Peripla_BP_4) 		4 ALA A 123
TYR A  96
ILE A 146
PRO A 121
 None
EDO  A 503 (-4.6A)
None
None
 1.25A 1oniB-5ix8A:
undetectable
1oniC-5ix8A:
undetectable		 1oniB-5ix8A:
21.00
1oniC-5ix8A:
21.00
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.
5kf7 BIFUNCTIONAL PROTEIN
PUTA

(Sinorhizobium
meliloti) 		PF00171
(Aldedh)
PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		4 ARG A 488
ALA A 372
TYR A 485
GLU A 492
 TFB  A2003 (-3.8A)
FAD  A2001 (-3.5A)
TFB  A2003 (-4.9A)
FAD  A2001 (-2.7A)
 1.29A 1oniB-5kf7A:
undetectable
1oniC-5kf7A:
undetectable		 1oniB-5kf7A:
8.27
1oniC-5kf7A:
8.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kn5 EPIREGULIN ANTIBODY
LY3016859 FAB HEAVY
CHAIN
PROTRANSFORMING
GROWTH FACTOR ALPHA

(Homo sapiens;
Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set)
PF00008
(EGF) 		4 ARG C  22
ALA C  31
ILE A  57
PRO A  55
 None
 0.90A 1oniB-5kn5C:
undetectable
1oniC-5kn5C:
undetectable		 1oniB-5kn5C:
11.59
1oniC-5kn5C:
11.59
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.
5n8n EVPB FAMILY TYPE VI
SECRETION PROTEIN

(Pseudomonas
aeruginosa) 		no annotation 4 ALA B 346
ILE B 337
PRO B 352
GLU B 342
 None
 1.07A 1oniB-5n8nB:
undetectable
1oniC-5n8nB:
undetectable		 1oniB-5n8nB:
undetectable
1oniC-5n8nB:
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.
5oac MAJOR CAPSID PROTEIN

(unidentified
phage) 		no annotation 4 ALA A 119
ILE A 165
PRO A 166
GLU A 162
 None
 1.23A 1oniB-5oacA:
undetectable
1oniC-5oacA:
undetectable		 1oniB-5oacA:
19.02
1oniC-5oacA:
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.
5ue8 PROTEIN UNC-13
HOMOLOG A

(Rattus
norvegicus) 		PF00130
(C1_1)
PF00168
(C2)
PF06292
(DUF1041)
PF10540
(Membr_traf_MHD) 		4 ARG A 619
ALA A 614
ILE A 782
GLU A 784
 None
 1.10A 1oniB-5ue8A:
undetectable
1oniC-5ue8A:
undetectable		 1oniB-5ue8A:
9.05
1oniC-5ue8A:
9.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v4d PUTATIVE
TRANSLATIONAL
INHIBITOR PROTEIN

(Yersinia pestis) 		PF01042
(Ribonuc_L-PSP) 		4 TYR A  17
ILE A  33
PRO A 113
GLU A 119
 None
 0.35A 1oniB-5v4dA:
24.1
1oniC-5v4dA:
24.1		 1oniB-5v4dA:
45.38
1oniC-5v4dA:
45.38
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.
6at7 PHENYLALANINE
AMMONIA-LYASE

(Sorghum bicolor) 		no annotation 4 ARG A 363
ILE A 392
PRO A 391
GLU A 364
 None
 1.16A 1oniB-6at7A:
undetectable
1oniC-6at7A:
undetectable		 1oniB-6at7A:
undetectable
1oniC-6at7A:
undetectable