SIMILAR PATTERNS OF AMINO ACIDS FOR 3L8L_B_DVAB6_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.
1bqy PLASMINOGEN
ACTIVATOR

(Trimeresurus
stejnegeri) 		PF00089
(Trypsin) 		3 TRP A 215
ALA A  55
VAL A  99
 None
None
0GJ  A   1 ( 4.2A)
 1.01A 3l8lA-1bqyA:
undetectable
3l8lB-1bqyA:
undetectable		 3l8lA-1bqyA:
7.01
3l8lB-1bqyA:
8.87
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.
1d6m DNA TOPOISOMERASE
III

(Escherichia
coli) 		PF01131
(Topoisom_bac)
PF01751
(Toprim) 		3 TRP A 240
ALA A 238
VAL A 224
 None
 0.75A 3l8lA-1d6mA:
undetectable
3l8lB-1d6mA:
undetectable		 3l8lA-1d6mA:
3.41
3l8lB-1d6mA:
3.41
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.
1egx VASODILATOR-STIMULAT
ED PHOSPHOPROTEIN

(Homo sapiens) 		PF00568
(WH1) 		3 TRP A  82
ALA A  85
VAL A  88
 None
 0.96A 3l8lA-1egxA:
undetectable
3l8lB-1egxA:
undetectable		 3l8lA-1egxA:
9.01
3l8lB-1egxA:
9.91
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.
1ev1 ECHOVIRUS 1
ECHOVIRUS 1

(Enterovirus B;
Enterovirus B) 		PF00073
(Rhv)
PF00073
(Rhv) 		3 TRP 2 189
ALA 2  29
VAL 1  34
 None
 1.02A 3l8lA-1ev12:
undetectable
3l8lB-1ev12:
undetectable		 3l8lA-1ev12:
4.80
3l8lB-1ev12:
4.80
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.
1exb KV BETA2 PROTEIN

(Rattus
norvegicus) 		PF00248
(Aldo_ket_red) 		3 TRP A  57
ALA A  95
VAL A  58
 NDP  A1000 (-4.4A)
None
None
 0.98A 3l8lA-1exbA:
undetectable
3l8lB-1exbA:
undetectable		 3l8lA-1exbA:
4.18
3l8lB-1exbA:
4.56
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.
1hkt HEAT-SHOCK
TRANSCRIPTION FACTOR

(Drosophila
melanogaster) 		PF00447
(HSF_DNA-bind) 		3 TRP A  68
ALA A  60
VAL A  57
 None
 0.93A 3l8lA-1hktA:
undetectable
3l8lB-1hktA:
undetectable		 3l8lA-1hktA:
17.02
3l8lB-1hktA:
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.
1hxh 3BETA/17BETA-HYDROXY
STEROID
DEHYDROGENASE

(Comamonas
testosteroni) 		PF13561
(adh_short_C2) 		3 TRP A 142
ALA A 137
VAL A 139
 None
 0.91A 3l8lA-1hxhA:
undetectable
3l8lB-1hxhA:
undetectable		 3l8lA-1hxhA:
7.25
3l8lB-1hxhA:
7.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j5s URONATE ISOMERASE

(Thermotoga
maritima) 		PF02614
(UxaC) 		3 TRP A  44
ALA A  53
VAL A  50
 None
 0.89A 3l8lA-1j5sA:
undetectable
3l8lB-1j5sA:
undetectable		 3l8lA-1j5sA:
5.24
3l8lB-1j5sA:
5.24
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.
1kfw CHITINASE B

(Arthrobacter
sp. TAD20) 		PF00704
(Glyco_hydro_18) 		3 TRP A 378
ALA A 335
VAL A 338
 None
 0.71A 3l8lA-1kfwA:
undetectable
3l8lB-1kfwA:
undetectable		 3l8lA-1kfwA:
3.19
3l8lB-1kfwA:
3.19
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.
1odo PUTATIVE CYTOCHROME
P450 154A1

(Streptomyces
coelicolor) 		PF00067
(p450) 		3 TRP A  81
ALA A 184
VAL A 174
 PIM  A1408 (-4.6A)
None
None
 0.62A 3l8lA-1odoA:
undetectable
3l8lB-1odoA:
undetectable		 3l8lA-1odoA:
14.86
3l8lB-1odoA:
3.87
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.
1rbl RIBULOSE 1,5
BISPHOSPHATE
CARBOXYLASE/OXYGENAS
E (LARGE CHAIN)

(Synechococcus
elongatus) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		3 TRP A  70
ALA A  15
VAL A  69
 None
 0.75A 3l8lA-1rblA:
undetectable
3l8lB-1rblA:
undetectable		 3l8lA-1rblA:
4.08
3l8lB-1rblA:
4.08
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.
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 1
ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 2

(Streptomyces
coelicolor;
Streptomyces
coelicolor) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		3 TRP B 392
ALA B 159
VAL A 147
 None
 0.95A 3l8lA-1tqyB:
undetectable
3l8lB-1tqyB:
undetectable		 3l8lA-1tqyB:
3.37
3l8lB-1tqyB:
5.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u5w HYPOTHETICAL UPF0244
PROTEIN YJJX

(Escherichia
coli) 		PF01931
(NTPase_I-T) 		3 TRP A  75
ALA A  77
VAL A   8
 None
 1.02A 3l8lA-1u5wA:
undetectable
3l8lB-1u5wA:
undetectable		 3l8lA-1u5wA:
6.18
3l8lB-1u5wA:
6.74
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.
1up2 CELA1 PROTEIN

(Mycobacterium
tuberculosis) 		PF01341
(Glyco_hydro_6) 		3 TRP A 186
ALA A 137
VAL A 139
 None
 1.01A 3l8lA-1up2A:
undetectable
3l8lB-1up2A:
undetectable		 3l8lA-1up2A:
6.25
3l8lB-1up2A:
6.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y43 ASPERGILLOPEPSIN II
HEAVY CHAIN

(Aspergillus
niger) 		PF01828
(Peptidase_A4) 		3 TRP B 107
ALA B   9
VAL B  11
 None
 0.76A 3l8lA-1y43B:
undetectable
3l8lB-1y43B:
undetectable		 3l8lA-1y43B:
6.13
3l8lB-1y43B:
6.75
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.
1z2i MALATE DEHYDROGENASE

(Agrobacterium
tumefaciens) 		PF02615
(Ldh_2) 		3 TRP A 180
ALA A 174
VAL A 172
 None
 0.99A 3l8lA-1z2iA:
undetectable
3l8lB-1z2iA:
undetectable		 3l8lA-1z2iA:
4.05
3l8lB-1z2iA:
3.72
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.
2a7w PHOSPHORIBOSYL-ATP
PYROPHOSPHATASE

(Chromobacterium
violaceum) 		PF01503
(PRA-PH) 		3 TRP A  68
ALA A  45
VAL A  64
 None
 0.84A 3l8lA-2a7wA:
undetectable
3l8lB-2a7wA:
undetectable		 3l8lA-2a7wA:
8.04
3l8lB-2a7wA:
15.38
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.
2co6 PUTATIVE FIMBRIAE
ASSEMBLY CHAPERONE

(Salmonella
enterica) 		PF00345
(PapD_N)
PF02753
(PapD_C) 		3 TRP B 203
ALA B 168
VAL B 170
 None
 0.84A 3l8lA-2co6B:
undetectable
3l8lB-2co6B:
undetectable		 3l8lA-2co6B:
8.05
3l8lB-2co6B:
8.05
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.
2cwf DELTA1-PIPERIDEINE-2
-CARBOXYLATE
REDUCTASE

(Pseudomonas
syringae group
genomosp. 3) 		PF02615
(Ldh_2) 		3 TRP A  70
ALA A  67
VAL A  71
 None
 1.00A 3l8lA-2cwfA:
undetectable
3l8lB-2cwfA:
undetectable		 3l8lA-2cwfA:
6.22
3l8lB-2cwfA:
6.22
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.
2d3y URACIL-DNA
GLYCOSYLASE

(Thermus
thermophilus) 		PF03167
(UDG) 		3 TRP A  39
ALA A 116
VAL A  43
 None
 0.93A 3l8lA-2d3yA:
undetectable
3l8lB-2d3yA:
undetectable		 3l8lA-2d3yA:
8.73
3l8lB-2d3yA:
5.91
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.
2d4w GLYCEROL KINASE

(Cellulomonas
sp.) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		3 TRP A 102
ALA A  85
VAL A 101
 MPD  A   1 ( 3.9A)
None
None
 0.97A 3l8lA-2d4wA:
undetectable
3l8lB-2d4wA:
undetectable		 3l8lA-2d4wA:
4.98
3l8lB-2d4wA:
10.42
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.
2eb5 2-OXO-HEPT-3-ENE-1,7
-DIOATE HYDRATASE

(Escherichia
coli) 		PF01557
(FAA_hydrolase) 		3 TRP A  46
ALA A  52
VAL A  47
 None
 0.96A 3l8lA-2eb5A:
undetectable
3l8lB-2eb5A:
undetectable		 3l8lA-2eb5A:
6.70
3l8lB-2eb5A:
6.15
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.
2g0w LMO2234 PROTEIN

(Listeria
monocytogenes) 		PF01261
(AP_endonuc_2) 		3 TRP A 174
ALA A 220
VAL A 202
 None
 0.93A 3l8lA-2g0wA:
undetectable
3l8lB-2g0wA:
undetectable		 3l8lA-2g0wA:
6.35
3l8lB-2g0wA:
6.35
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.
2jgp TYROCIDINE
SYNTHETASE 3

(Brevibacillus
brevis) 		PF00550
(PP-binding)
PF00668
(Condensation) 		3 TRP A 261
ALA A  83
VAL A  87
 None
 0.97A 3l8lA-2jgpA:
undetectable
3l8lB-2jgpA:
undetectable		 3l8lA-2jgpA:
5.16
3l8lB-2jgpA:
5.16
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.
2o14 HYPOTHETICAL PROTEIN
YXIM

(Bacillus
subtilis) 		PF13472
(Lipase_GDSL_2) 		3 TRP A 187
ALA A 185
VAL A 173
 None
 1.01A 3l8lA-2o14A:
undetectable
3l8lB-2o14A:
undetectable		 3l8lA-2o14A:
4.14
3l8lB-2o14A:
6.63
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.
2p2m ACETYL-COENZYME A
SYNTHETASE

(Salmonella
enterica) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		3 TRP A  97
ALA A 146
VAL A 142
 None
 0.96A 3l8lA-2p2mA:
undetectable
3l8lB-2p2mA:
undetectable		 3l8lA-2p2mA:
3.12
3l8lB-2p2mA:
4.44
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.
2vtc CEL61B

(Trichoderma
reesei) 		PF03443
(Glyco_hydro_61) 		3 TRP A 228
ALA A 226
VAL A 116
 None
 0.85A 3l8lA-2vtcA:
undetectable
3l8lB-2vtcA:
undetectable		 3l8lA-2vtcA:
4.84
3l8lB-2vtcA:
4.44
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.
2vx4 CELLVIBRIO JAPONICUS
MANNANASE CJMAN26C

(Cellvibrio
japonicus) 		PF02156
(Glyco_hydro_26) 		3 TRP A 243
ALA A 287
VAL A 289
 None
 0.92A 3l8lA-2vx4A:
undetectable
3l8lB-2vx4A:
undetectable		 3l8lA-2vx4A:
2.86
3l8lB-2vx4A:
3.12
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.
2x64 GLUTATHIONE-S-TRANSF
ERASE

(Xylella
fastidiosa) 		PF00043
(GST_C)
PF02798
(GST_N) 		3 TRP A  20
ALA A 197
VAL A 195
 None
 0.98A 3l8lA-2x64A:
undetectable
3l8lB-2x64A:
undetectable		 3l8lA-2x64A:
9.09
3l8lB-2x64A:
9.09
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.
3axx 458AA LONG
HYPOTHETICAL
ENDO-1,4-BETA-GLUCAN
ASE

(Pyrococcus
horikoshii) 		PF00150
(Cellulase) 		3 TRP A 323
ALA A 271
VAL A 298
 None
 0.88A 3l8lA-3axxA:
undetectable
3l8lB-3axxA:
undetectable		 3l8lA-3axxA:
3.23
3l8lB-3axxA:
3.50
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.
3gyx ADENYLYLSULFATE
REDUCTASE

(Desulfovibrio
gigas) 		PF00890
(FAD_binding_2) 		3 TRP A 255
ALA A 257
VAL A 254
 None
 0.92A 3l8lA-3gyxA:
undetectable
3l8lB-3gyxA:
undetectable		 3l8lA-3gyxA:
2.61
3l8lB-3gyxA:
3.49
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.
3ieg DNAJ HOMOLOG
SUBFAMILY C MEMBER 3

(Mus musculus) 		PF09976
(TPR_21)
PF13181
(TPR_8) 		3 TRP A 186
ALA A 188
VAL A 185
 None
 0.98A 3l8lA-3iegA:
undetectable
3l8lB-3iegA:
undetectable		 3l8lA-3iegA:
4.81
3l8lB-3iegA:
5.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ikm DNA POLYMERASE
SUBUNIT GAMMA-1

(Homo sapiens) 		PF00476
(DNA_pol_A) 		3 TRP A 441
ALA A 880
VAL A 878
 None
 0.93A 3l8lA-3ikmA:
undetectable
3l8lB-3ikmA:
undetectable		 3l8lA-3ikmA:
1.98
3l8lB-3ikmA:
3.59
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.
3jxz ALKYLPURINE DNA
GLYCOSYLASE ALKD

(Bacillus cereus) 		PF08713
(DNA_alkylation) 		3 TRP A 187
ALA A 193
VAL A 188
 None
 0.96A 3l8lA-3jxzA:
undetectable
3l8lB-3jxzA:
undetectable		 3l8lA-3jxzA:
6.67
3l8lB-3jxzA:
7.27
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.
3k4z GLYCOSIDE HYDROLASE
FAMILY 9

(Ruminiclostridium
thermocellum) 		PF02018
(CBM_4_9)
PF02927
(CelD_N) 		3 TRP A  92
ALA A 125
VAL A 128
 None
 1.02A 3l8lA-3k4zA:
undetectable
3l8lB-3k4zA:
undetectable		 3l8lA-3k4zA:
17.86
3l8lB-3k4zA:
17.86
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.
3l49 ABC SUGAR (RIBOSE)
TRANSPORTER,
PERIPLASMIC
SUBSTRATE-BINDING
SUBUNIT

(Rhodobacter
sphaeroides) 		PF13407
(Peripla_BP_4) 		3 TRP A 222
ALA A 220
VAL A 156
 None
 0.97A 3l8lA-3l49A:
undetectable
3l8lB-3l49A:
undetectable		 3l8lA-3l49A:
10.11
3l8lB-3l49A:
11.24
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.
3l6g BETAINE ABC
TRANSPORTER PERMEASE
AND SUBSTRATE
BINDING PROTEIN

(Lactococcus
lactis) 		PF04069
(OpuAC) 		3 TRP A 484
ALA A 403
VAL A 405
 None
 1.02A 3l8lA-3l6gA:
undetectable
3l8lB-3l6gA:
undetectable		 3l8lA-3l6gA:
7.98
3l8lB-3l6gA:
5.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l8h PUTATIVE HALOACID
DEHALOGENASE-LIKE
HYDROLASE

(Bordetella
bronchiseptica) 		PF13242
(Hydrolase_like) 		3 TRP A 142
ALA A 134
VAL A 124
 None
 0.91A 3l8lA-3l8hA:
undetectable
3l8lB-3l8hA:
undetectable		 3l8lA-3l8hA:
9.68
3l8lB-3l8hA:
8.89
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.
3mq4 METABOTROPIC
GLUTAMATE RECEPTOR 7

(Homo sapiens) 		PF01094
(ANF_receptor) 		3 TRP A 363
ALA A 365
VAL A 362
 None
 1.01A 3l8lA-3mq4A:
undetectable
3l8lB-3mq4A:
undetectable		 3l8lA-3mq4A:
3.87
3l8lB-3mq4A:
6.07
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.
3njb ENOYL-COA HYDRATASE

(Mycolicibacterium
smegmatis) 		PF00378
(ECH_1) 		3 TRP A 177
ALA A 281
VAL A 283
 None
 0.86A 3l8lA-3njbA:
undetectable
3l8lB-3njbA:
undetectable		 3l8lA-3njbA:
6.80
3l8lB-3njbA:
7.26
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.
3oft CYTOCHROME P450

(Novosphingobium
aromaticivorans) 		PF00067
(p450) 		3 TRP A  61
ALA A 342
VAL A 340
 HEM  A 417 (-4.1A)
None
None
 0.58A 3l8lA-3oftA:
undetectable
3l8lB-3oftA:
undetectable		 3l8lA-3oftA:
19.64
3l8lB-3oftA:
3.33
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.
3oq3 INTERFERON ALPHA-5

(Mus musculus) 		PF00143
(Interferon) 		3 TRP A 149
ALA A  14
VAL A  19
 None
 1.00A 3l8lA-3oq3A:
undetectable
3l8lB-3oq3A:
undetectable		 3l8lA-3oq3A:
9.02
3l8lB-3oq3A:
9.02
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.
3ou6 SAM-DEPENDENT
METHYLTRANSFERASE

(Streptomyces
luridus) 		PF13649
(Methyltransf_25) 		3 TRP A 102
ALA A 127
VAL A 132
 None
 0.89A 3l8lA-3ou6A:
undetectable
3l8lB-3ou6A:
undetectable		 3l8lA-3ou6A:
7.81
3l8lB-3ou6A:
6.99
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.
3qj4 RENALASE

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF13450
(NAD_binding_8) 		3 TRP A  33
ALA A   9
VAL A   7
 None
None
FAD  A 401 (-4.7A)
 0.96A 3l8lA-3qj4A:
undetectable
3l8lB-3qj4A:
undetectable		 3l8lA-3qj4A:
5.37
3l8lB-3qj4A:
3.57
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.
3s6f HYPOTHETICAL
ACETYLTRANSFERASE

(Deinococcus
radiodurans) 		PF13673
(Acetyltransf_10) 		3 TRP A  40
ALA A  21
VAL A  18
 TRP  A  40 ( 0.5A)
ALA  A  21 ( 0.0A)
VAL  A  18 ( 0.5A)
 0.99A 3l8lA-3s6fA:
undetectable
3l8lB-3s6fA:
undetectable		 3l8lA-3s6fA:
7.87
3l8lB-3s6fA:
8.66
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.
3usc HYDROGENASE-1 LARGE
CHAIN

(Escherichia
coli) 		PF00374
(NiFeSe_Hases) 		3 TRP L 515
ALA L 517
VAL L 502
 None
 1.01A 3l8lA-3uscL:
undetectable
3l8lB-3uscL:
undetectable		 3l8lA-3uscL:
5.26
3l8lB-3uscL:
2.89
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.
3ut2 CATALASE-PEROXIDASE
2

(Magnaporthe
oryzae) 		PF00141
(peroxidase) 		3 TRP A 365
ALA A 418
VAL A 363
 None
 0.90A 3l8lA-3ut2A:
undetectable
3l8lB-3ut2A:
undetectable		 3l8lA-3ut2A:
3.08
3l8lB-3ut2A:
3.08
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.
3vcn MANNONATE
DEHYDRATASE

(Caulobacter
vibrioides) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 TRP A 269
ALA A 266
VAL A 268
 None
 0.88A 3l8lA-3vcnA:
undetectable
3l8lB-3vcnA:
undetectable		 3l8lA-3vcnA:
5.02
3l8lB-3vcnA:
5.86
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.
3w6m 458AA LONG
HYPOTHETICAL
ENDO-1,4-BETA-GLUCAN
ASE

(Pyrococcus
horikoshii) 		PF00150
(Cellulase) 		3 TRP A 323
ALA A 271
VAL A 298
 None
 0.90A 3l8lA-3w6mA:
undetectable
3l8lB-3w6mA:
undetectable		 3l8lA-3w6mA:
3.53
3l8lB-3w6mA:
3.53
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.
4dcc PUTATIVE HALOACID
DEHALOGENASE-LIKE
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF13419
(HAD_2) 		3 TRP A 200
ALA A 196
VAL A  16
 None
 0.93A 3l8lA-4dccA:
undetectable
3l8lB-4dccA:
undetectable		 3l8lA-4dccA:
5.63
3l8lB-4dccA:
7.46
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.
4epc N-ACETYLMURAMOYL-L-A
LANINE AMIDASE

(Staphylococcus
epidermidis) 		PF13457
(SH3_8) 		3 TRP A 839
ALA A 804
VAL A 795
 MLY  A 819 ( 4.9A)
None
None
 0.99A 3l8lA-4epcA:
undetectable
3l8lB-4epcA:
undetectable		 3l8lA-4epcA:
3.86
3l8lB-4epcA:
3.86
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.
4fcs VERSATILE PEROXIDASE
VPL2

(Pleurotus
eryngii) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		3 TRP A 164
ALA A 167
VAL A 163
 None
 0.90A 3l8lA-4fcsA:
undetectable
3l8lB-4fcsA:
undetectable		 3l8lA-4fcsA:
6.25
3l8lB-4fcsA:
4.32
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.
4fom POLIOVIRUS
RECEPTOR-RELATED
PROTEIN 3

(Homo sapiens) 		PF07686
(V-set)
PF08205
(C2-set_2) 		3 TRP A  70
ALA A  68
VAL A 168
 NAG  A 415 ( 4.1A)
None
NAG  A 415 ( 4.6A)
 0.96A 3l8lA-4fomA:
undetectable
3l8lB-4fomA:
undetectable		 3l8lA-4fomA:
4.86
3l8lB-4fomA:
4.58
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.
4ftd UNCHARACTERIZED
PROTEIN

(Bacteroides
eggerthii) 		PF15416
(DUF4623) 		3 TRP A 334
ALA A 362
VAL A 323
 None
 0.91A 3l8lA-4ftdA:
undetectable
3l8lB-4ftdA:
undetectable		 3l8lA-4ftdA:
2.43
3l8lB-4ftdA:
4.59
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.
4glp MONOCYTE
DIFFERENTIATION
ANTIGEN CD14

(Homo sapiens) 		PF13516
(LRR_6) 		3 TRP A 154
ALA A 180
VAL A 152
 None
 1.02A 3l8lA-4glpA:
undetectable
3l8lB-4glpA:
undetectable		 3l8lA-4glpA:
7.10
3l8lB-4glpA:
6.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hi4 AEROTAXIS TRANSDUCER
AER2

(Pseudomonas
aeruginosa) 		PF13188
(PAS_8) 		3 TRP A 283
ALA A 184
VAL A 202
 None
 0.76A 3l8lA-4hi4A:
undetectable
3l8lB-4hi4A:
undetectable		 3l8lA-4hi4A:
8.74
3l8lB-4hi4A:
10.68
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.
4i59 CYCLOHEXYLAMINE
OXIDASE

(Microbacterium
oxydans) 		PF01593
(Amino_oxidase) 		3 TRP A 237
ALA A 242
VAL A 244
 None
 1.01A 3l8lA-4i59A:
undetectable
3l8lB-4i59A:
undetectable		 3l8lA-4i59A:
5.66
3l8lB-4i59A:
3.09
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.
4i9r CELLULAR RETINOIC
ACID-BINDING PROTEIN
2

(Homo sapiens) 		PF00061
(Lipocalin) 		3 TRP A  32
ALA A  35
VAL A  33
 RET  A 201 (-4.5A)
None
None
 0.83A 3l8lA-4i9rA:
undetectable
3l8lB-4i9rA:
undetectable		 3l8lA-4i9rA:
10.48
3l8lB-4i9rA:
14.10
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.
4j4j DNA DC->DU-EDITING
ENZYME APOBEC-3F

(Homo sapiens) 		PF08210
(APOBEC_N) 		3 TRP A 277
ALA A 250
VAL A 242
 None
 0.99A 3l8lA-4j4jA:
undetectable
3l8lB-4j4jA:
undetectable		 3l8lA-4j4jA:
5.67
3l8lB-4j4jA:
5.67
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.
4mkv RIBULOSE
BISPHOSPHATE
CARBOXYLASE LARGE
CHAIN

(Pisum sativum) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		3 TRP A  70
ALA A  15
VAL A  69
 None
 0.67A 3l8lA-4mkvA:
undetectable
3l8lB-4mkvA:
undetectable		 3l8lA-4mkvA:
3.79
3l8lB-4mkvA:
5.22
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.
4nme PROLINE
DEHYDROGENASE AND
DELTA-1-PYRROLINE-5-
CARBOXYLATE
DEHYDROGENASE

(Geobacter
sulfurreducens) 		PF00171
(Aldedh)
PF01619
(Pro_dh) 		3 TRP A 310
ALA A 277
VAL A 326
 P5F  A1101 (-3.6A)
None
None
 0.98A 3l8lA-4nmeA:
undetectable
3l8lB-4nmeA:
undetectable		 3l8lA-4nmeA:
2.23
3l8lB-4nmeA:
2.23
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.
4og1 ENOYL-COA
HYDRATASE/ISOMERASE

(Novosphingobium
aromaticivorans) 		PF00378
(ECH_1) 		3 TRP A 103
ALA A 154
VAL A 125
 None
 1.00A 3l8lA-4og1A:
undetectable
3l8lB-4og1A:
undetectable		 3l8lA-4og1A:
7.56
3l8lB-4og1A:
7.56
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.
4pvi GH62 HYDROLASE

(Mycothermus
thermophilus) 		PF03664
(Glyco_hydro_62) 		3 TRP A  34
ALA A 288
VAL A 290
 None
 0.94A 3l8lA-4pviA:
undetectable
3l8lB-4pviA:
undetectable		 3l8lA-4pviA:
3.27
3l8lB-4pviA:
3.27
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.
4qt9 PUTATIVE
GLUCOAMYLASE

(Bacteroides
caccae) 		PF10091
(Glycoamylase) 		3 TRP A 143
ALA A  75
VAL A  92
 None
 0.92A 3l8lA-4qt9A:
undetectable
3l8lB-4qt9A:
undetectable		 3l8lA-4qt9A:
3.38
3l8lB-4qt9A:
3.64
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.
4r12 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Dictyostelium
purpureum) 		PF05450
(Nicastrin) 		3 TRP A 291
ALA A 566
VAL A 213
 None
 0.93A 3l8lA-4r12A:
undetectable
3l8lB-4r12A:
undetectable		 3l8lA-4r12A:
2.43
3l8lB-4r12A:
2.63
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.
4ucl RNA-DIRECTED RNA
POLYMERASE L

(Human
metapneumovirus) 		no annotation 3 TRP A1795
ALA A1756
VAL A1792
 None
 0.96A 3l8lA-4uclA:
undetectable
3l8lB-4uclA:
undetectable		 3l8lA-4uclA:
28.00
3l8lB-4uclA:
3.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wt7 ABC TRANSPORTER
SUBSTRATE BINDING
PROTEIN (RIBOSE)

(Agrobacterium
vitis) 		PF13407
(Peripla_BP_4) 		3 TRP A 240
ALA A 238
VAL A 174
 None
 0.92A 3l8lA-4wt7A:
undetectable
3l8lB-4wt7A:
undetectable		 3l8lA-4wt7A:
5.50
3l8lB-4wt7A:
5.50
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.
5a7m BETA-XYLOSIDASE

(Trichoderma
reesei) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		3 TRP A 501
ALA A 578
VAL A 529
 None
 0.73A 3l8lA-5a7mA:
undetectable
3l8lB-5a7mA:
undetectable		 3l8lA-5a7mA:
1.95
3l8lB-5a7mA:
2.28
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.
5a8r METHYL-COENZYME M
REDUCTASE II SUBUNIT
ALPHA

(Methanothermobacter
marburgensis) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		3 TRP A 229
ALA A 166
VAL A 213
 None
 0.86A 3l8lA-5a8rA:
undetectable
3l8lB-5a8rA:
undetectable		 3l8lA-5a8rA:
4.08
3l8lB-5a8rA:
4.37
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.
5aex AMMONIUM TRANSPORTER
MEP2

(Saccharomyces
cerevisiae) 		PF00909
(Ammonium_transp) 		3 TRP A 173
ALA A 175
VAL A 172
 None
 0.96A 3l8lA-5aexA:
undetectable
3l8lB-5aexA:
undetectable		 3l8lA-5aexA:
6.37
3l8lB-5aexA:
6.86
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.
5afu DYNACTIN

(Sus scrofa) 		PF00022
(Actin) 		3 TRP J 387
ALA J 121
VAL J  95
 None
 0.95A 3l8lA-5afuJ:
undetectable
3l8lB-5afuJ:
undetectable		 3l8lA-5afuJ:
2.93
3l8lB-5afuJ:
3.49
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.
5b22 NECTIN-3

(Mus musculus) 		PF07686
(V-set)
PF08205
(C2-set_2) 		3 TRP A  12
ALA A  10
VAL A 110
 NAG  A 301 (-3.4A)
None
None
 1.02A 3l8lA-5b22A:
undetectable
3l8lB-5b22A:
undetectable		 3l8lA-5b22A:
5.50
3l8lB-5b22A:
5.50
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.
5bnn CAPSID PROTEIN VP1
CAPSID PROTEIN VP2

(Enterovirus D;
Enterovirus D) 		PF00073
(Rhv)
PF00073
(Rhv) 		3 TRP B 177
ALA B  29
VAL A  29
 None
 0.99A 3l8lA-5bnnB:
undetectable
3l8lB-5bnnB:
undetectable		 3l8lA-5bnnB:
6.12
3l8lB-5bnnB:
4.74
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.
5bwi GLYCOSIDE HYDROLASE
FAMILY 79

(Burkholderia
pseudomallei) 		PF12891
(Glyco_hydro_44) 		3 TRP A 167
ALA A 157
VAL A 164
 None
 0.85A 3l8lA-5bwiA:
undetectable
3l8lB-5bwiA:
undetectable		 3l8lA-5bwiA:
4.15
3l8lB-5bwiA:
2.88
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.
5clw 1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME

(Homo sapiens) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		3 TRP A 548
ALA A 483
VAL A 485
 None
 0.95A 3l8lA-5clwA:
undetectable
3l8lB-5clwA:
undetectable		 3l8lA-5clwA:
2.52
3l8lB-5clwA:
3.23
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.
5dji 3'-PHOSPHOADENOSINE
5'-PHOSPHATE
PHOSPHATASE

(Mycobacterium
tuberculosis) 		PF00459
(Inositol_P) 		3 TRP A 114
ALA A 112
VAL A  87
 None
 0.85A 3l8lA-5djiA:
undetectable
3l8lB-5djiA:
undetectable		 3l8lA-5djiA:
4.17
3l8lB-5djiA:
3.82
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.
5dkx ALPHA
GLUCOSIDASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		3 TRP A 942
ALA A 945
VAL A 964
 None
 1.02A 3l8lA-5dkxA:
undetectable
3l8lB-5dkxA:
undetectable		 3l8lA-5dkxA:
1.66
3l8lB-5dkxA:
1.78
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.
5e7l CONTACTIN-2

(Mus musculus) 		PF00041
(fn3) 		3 TRP A 835
ALA A 819
VAL A 821
 None
 0.90A 3l8lA-5e7lA:
undetectable
3l8lB-5e7lA:
undetectable		 3l8lA-5e7lA:
10.67
3l8lB-5e7lA:
10.67
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.
5ewn STRUCTURAL PROTEIN

(Mamastrovirus 1) 		PF03115
(Astro_capsid_N) 		3 TRP A 351
ALA A 376
VAL A 369
 None
 0.97A 3l8lA-5ewnA:
undetectable
3l8lB-5ewnA:
undetectable		 3l8lA-5ewnA:
6.37
3l8lB-5ewnA:
6.86
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.
5ftt ADHESION G
PROTEIN-COUPLED
RECEPTOR L3

(Mus musculus) 		PF02140
(Gal_Lectin)
PF02191
(OLF) 		3 TRP C 226
ALA C 433
VAL C 446
 None
 0.99A 3l8lA-5fttC:
undetectable
3l8lB-5fttC:
undetectable		 3l8lA-5fttC:
5.14
3l8lB-5fttC:
5.53
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.
5fx8 LINOLEATE
11-LIPOXYGENASE

(Gaeumannomyces
avenae) 		PF00305
(Lipoxygenase) 		3 TRP A 439
ALA A 447
VAL A 300
 None
 1.02A 3l8lA-5fx8A:
undetectable
3l8lB-5fx8A:
undetectable		 3l8lA-5fx8A:
2.18
3l8lB-5fx8A:
3.87
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.
5g06 EXOSOME COMPLEX
COMPONENT RRP4

(Saccharomyces
cerevisiae) 		PF14382
(ECR1_N)
PF15985
(KH_6) 		3 TRP H 124
ALA H 117
VAL H 119
 None
 0.75A 3l8lA-5g06H:
undetectable
3l8lB-5g06H:
undetectable		 3l8lA-5g06H:
4.71
3l8lB-5g06H:
6.59
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.
5gn5 GLYCEROL KINASE

(Trypanosoma
brucei) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		3 TRP A 465
ALA A 473
VAL A 471
 None
 0.94A 3l8lA-5gn5A:
undetectable
3l8lB-5gn5A:
undetectable		 3l8lA-5gn5A:
2.16
3l8lB-5gn5A:
2.41
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.
5gzh ENDO-BETA-1,2-GLUCAN
ASE

(Chitinophaga
pinensis) 		PF10091
(Glycoamylase) 		3 TRP A 120
ALA A  52
VAL A  69
 None
None
IOD  A 506 ( 4.7A)
 0.93A 3l8lA-5gzhA:
undetectable
3l8lB-5gzhA:
undetectable		 3l8lA-5gzhA:
3.11
3l8lB-5gzhA:
3.37
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.
5koh NITROGENASE FEMO
BETA SUBUNIT PROTEIN
NIFK

(Gluconacetobacter
diazotrophicus) 		PF00148
(Oxidored_nitro)
PF11844
(DUF3364) 		3 TRP B 473
ALA B 478
VAL B 472
 None
 0.72A 3l8lA-5kohB:
undetectable
3l8lB-5kohB:
undetectable		 3l8lA-5kohB:
3.10
3l8lB-5kohB:
3.72
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.
5lh9 OMEGA TRANSAMINASE

(Pseudomonas sp.) 		PF00202
(Aminotran_3) 		3 TRP A 273
ALA A 221
VAL A 224
 None
 0.97A 3l8lA-5lh9A:
undetectable
3l8lB-5lh9A:
undetectable		 3l8lA-5lh9A:
3.27
3l8lB-5lh9A:
3.57
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.
5n28 METHYL-COENZYME M
REDUCTASE SUBUNIT
ALPHA

(Methanotorris
formicicus) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		3 TRP A 229
ALA A 166
VAL A 213
 None
 0.94A 3l8lA-5n28A:
undetectable
3l8lB-5n28A:
undetectable		 3l8lA-5n28A:
2.32
3l8lB-5n28A:
2.56
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.
5o7g ALPHA/BETA HYDROLASE
FAMILY PROTEIN

(Bacillus
coagulans) 		no annotation 3 TRP A  80
ALA A  71
VAL A  65
 None
 0.93A 3l8lA-5o7gA:
undetectable
3l8lB-5o7gA:
undetectable		 3l8lA-5o7gA:
undetectable
3l8lB-5o7gA:
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.
5okz EXOSOME COMPLEX
COMPONENT RRP4

(Saccharomyces
cerevisiae) 		PF14382
(ECR1_N)
PF15985
(KH_6) 		3 TRP H 124
ALA H 117
VAL H 119
 None
 0.93A 3l8lA-5okzH:
undetectable
3l8lB-5okzH:
undetectable		 3l8lA-5okzH:
5.08
3l8lB-5okzH:
6.59
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.
5sv0 BIOPOLYMER TRANSPORT
PROTEIN EXBB

(Escherichia
coli) 		no annotation 3 TRP B 150
ALA B  19
VAL B  22
 None
 0.95A 3l8lA-5sv0B:
undetectable
3l8lB-5sv0B:
undetectable		 3l8lA-5sv0B:
8.73
3l8lB-5sv0B:
8.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tkm DNA DC->DU-EDITING
ENZYME APOBEC-3B

(Homo sapiens) 		PF08210
(APOBEC_N) 		3 TRP A  94
ALA A  67
VAL A  59
 None
 0.95A 3l8lA-5tkmA:
undetectable
3l8lB-5tkmA:
undetectable		 3l8lA-5tkmA:
6.54
3l8lB-5tkmA:
8.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u0s MEDIATOR COMPLEX
SUBUNIT 8
MEDIATOR COMPLEX
SUBUNIT 18

(Schizosaccharomyces
pombe;
Schizosaccharomyces
pombe) 		PF10232
(Med8)
PF09637
(Med18) 		3 TRP R 165
ALA H 184
VAL R  10
 None
 1.01A 3l8lA-5u0sR:
undetectable
3l8lB-5u0sR:
undetectable		 3l8lA-5u0sR:
12.33
3l8lB-5u0sR:
6.63
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.
5ui3 DIHYDRODIPICOLINATE
SYNTHASE

(Chlamydomonas
reinhardtii) 		no annotation 3 TRP D 201
ALA D 211
VAL D 218
 None
 0.99A 3l8lA-5ui3D:
undetectable
3l8lB-5ui3D:
undetectable		 3l8lA-5ui3D:
undetectable
3l8lB-5ui3D:
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.
5uld TRANSPORTER, NADC
FAMILY

(Vibrio cholerae) 		PF00939
(Na_sulph_symp) 		3 TRP A  59
ALA A  63
VAL A  66
 None
 0.79A 3l8lA-5uldA:
undetectable
3l8lB-5uldA:
undetectable		 3l8lA-5uldA:
2.97
3l8lB-5uldA:
3.20
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.
5vf4 UNCHARACTERIZED
PROTEIN

(Thermus
aquaticus) 		PF03781
(FGE-sulfatase) 		3 TRP A 201
ALA A  90
VAL A 373
 None
 0.66A 3l8lA-5vf4A:
undetectable
3l8lB-5vf4A:
undetectable		 3l8lA-5vf4A:
6.06
3l8lB-5vf4A:
7.34
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.
5xsx CHITINASE

(Thermococcus
chitonophagus) 		no annotation 3 TRP A 682
ALA A 646
VAL A 680
 None
 0.91A 3l8lA-5xsxA:
undetectable
3l8lB-5xsxA:
undetectable		 3l8lA-5xsxA:
undetectable
3l8lB-5xsxA:
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.
5xww AMPHB

(Streptomyces
nodosus) 		no annotation 3 TRP A 359
ALA A 368
VAL A 358
 8H6  A 502 (-4.1A)
None
None
 0.96A 3l8lA-5xwwA:
undetectable
3l8lB-5xwwA:
undetectable		 3l8lA-5xwwA:
undetectable
3l8lB-5xwwA:
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.
5yim SDEA

(Legionella
pneumophila) 		no annotation 3 TRP A 394
ALA A 399
VAL A 401
 None
 0.99A 3l8lA-5yimA:
undetectable
3l8lB-5yimA:
undetectable		 3l8lA-5yimA:
undetectable
3l8lB-5yimA:
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.
6a2f -

(-) 		no annotation 3 TRP A 324
ALA A 326
VAL A 330
 None
 0.94A 3l8lA-6a2fA:
undetectable
3l8lB-6a2fA:
undetectable		 3l8lA-6a2fA:
undetectable
3l8lB-6a2fA:
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.
6ehs HYDROGENASE-2 LARGE
CHAIN

(Escherichia
coli) 		no annotation 3 TRP L 504
ALA L 550
VAL L 499
 None
CSO  L 546 ( 3.5A)
None
 1.00A 3l8lA-6ehsL:
undetectable
3l8lB-6ehsL:
undetectable		 3l8lA-6ehsL:
undetectable
3l8lB-6ehsL:
undetectable