SIMILAR PATTERNS OF AMINO ACIDS FOR 3LOQ_A_ACTA277_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.
1dce PROTEIN (RAB
GERANYLGERANYLTRANSF
ERASE ALPHA SUBUNIT)

(Rattus
norvegicus) 		PF01239
(PPTA)
PF07711
(RabGGT_insert) 		3 ASP A 225
SER A 227
ARG A 141
 None
 0.68A 3loqA-1dceA:
0.0		 3loqA-1dceA:
19.28
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.
1ebv PROSTAGLANDIN H2
SYNTHASE

(Ovis aries) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		3 ASP A 135
SER A 154
ARG A 157
 None
 1.02A 3loqA-1ebvA:
undetectable		 3loqA-1ebvA:
19.28
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.
1ej6 LAMBDA1

(Reovirus sp.) 		no annotation 3 ASP B 455
SER B 265
ARG B 462
 None
 0.88A 3loqA-1ej6B:
0.0		 3loqA-1ej6B:
13.14
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.
1g6q HNRNP ARGININE
N-METHYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF06325
(PrmA) 		3 ASP 1 145
SER 1 142
ARG 1 317
 None
 1.00A 3loqA-1g6q1:
4.2		 3loqA-1g6q1:
23.10
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.
1h7g 3-DEOXY-MANNO-OCTULO
SONATE
CYTIDYLYLTRANSFERASE

(Escherichia
coli) 		PF02348
(CTP_transf_3) 		3 ASP A  78
SER A  75
ARG A 204
 None
 1.01A 3loqA-1h7gA:
0.0		 3loqA-1h7gA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1k94 GRANCALCIN

(Homo sapiens) 		PF13202
(EF-hand_5)
PF13833
(EF-hand_8) 		3 ASP A 134
SER A 136
ARG A 172
 CA  A 998 (-2.8A)
CA  A 998 (-2.4A)
None
 0.79A 3loqA-1k94A:
undetectable		 3loqA-1k94A:
19.16
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.
1kp2 ARGININOSUCCINATE
SYNTHETASE

(Escherichia
coli) 		PF00764
(Arginosuc_synth) 		3 ASP A 127
SER A 129
ARG A 106
 None
ATP  A 459 (-4.7A)
ATP  A 459 ( 4.0A)
 0.76A 3loqA-1kp2A:
7.1		 3loqA-1kp2A:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lwu FIBRINOGEN BETA
CHAIN
FIBRINOGEN GAMMA
CHAIN

(Petromyzon
marinus;
Petromyzon
marinus) 		PF00147
(Fibrinogen_C)
PF08702
(Fib_alpha)
PF00147
(Fibrinogen_C) 		3 ASP C 199
SER C 201
ARG B 223
 None
 1.01A 3loqA-1lwuC:
0.0		 3loqA-1lwuC:
19.13
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.
1nxz HYPOTHETICAL PROTEIN
HI0303

(Haemophilus
influenzae) 		PF04452
(Methyltrans_RNA) 		3 ASP A  44
SER A  46
ARG A  69
 None
 0.87A 3loqA-1nxzA:
2.7		 3loqA-1nxzA:
21.26
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.
1omo ALANINE
DEHYDROGENASE

(Archaeoglobus
fulgidus) 		PF02423
(OCD_Mu_crystall) 		3 ASP A 239
SER A 290
ARG A 108
 ASP  A 239 ( 0.5A)
SER  A 290 (-0.0A)
ARG  A 108 (-0.6A)
 0.97A 3loqA-1omoA:
4.0		 3loqA-1omoA:
24.64
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.
1ptj NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA PART 1

(Rhodospirillum
rubrum) 		PF01262
(AlaDh_PNT_C)
PF05222
(AlaDh_PNT_N) 		3 ASP A 135
SER A 138
ARG A 127
 SND  A 500 (-3.7A)
SND  A 500 (-3.1A)
SND  A 500 (-3.9A)
 0.97A 3loqA-1ptjA:
4.7		 3loqA-1ptjA:
24.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pui PROBABLE GTP-BINDING
PROTEIN ENGB

(Escherichia
coli) 		PF01926
(MMR_HSR1) 		3 ASP A  24
SER A 108
ARG A  75
 None
 0.97A 3loqA-1puiA:
4.5		 3loqA-1puiA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 1

(Streptomyces
coelicolor) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		3 ASP A  41
SER A  43
ARG A  36
 None
 0.96A 3loqA-1tqyA:
undetectable		 3loqA-1tqyA:
23.08
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.
1v02 DHURRINASE

(Sorghum bicolor) 		PF00232
(Glyco_hydro_1) 		3 ASP A  67
SER A  69
ARG A 476
 None
 0.66A 3loqA-1v02A:
undetectable		 3loqA-1v02A:
19.68
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.
1wqa PHOSPHO-SUGAR MUTASE

(Pyrococcus
horikoshii) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		3 ASP A 245
SER A 101
ARG A 248
 ASP  A 245 (-0.6A)
SER  A 101 (-0.0A)
ARG  A 248 (-0.6A)
 0.88A 3loqA-1wqaA:
2.5		 3loqA-1wqaA:
23.39
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.
1zy8 PYRUVATE
DEHYDROGENASE
PROTEIN X COMPONENT,
MITOCHONDRIAL

(Homo sapiens) 		PF02817
(E3_binding) 		3 ASP K 145
SER K 147
ARG K 130
 None
 0.88A 3loqA-1zy8K:
undetectable		 3loqA-1zy8K:
26.07
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.
2ahw PUTATIVE ENZYME YDIF

(Escherichia
coli) 		PF01144
(CoA_trans) 		3 ASP A 358
SER A 361
ARG A 126
 None
 0.89A 3loqA-2ahwA:
undetectable		 3loqA-2ahwA:
21.44
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.
2atz H. PYLORI PREDICTED
CODING REGION HP0184

(Helicobacter
pylori) 		PF08966
(DUF1882) 		3 ASP A  12
SER A  14
ARG A  67
 None
 0.97A 3loqA-2atzA:
undetectable		 3loqA-2atzA:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c4x ENDOGLUCANASE

(Ruminiclostridium
thermocellum) 		PF00801
(PKD) 		3 ASP A  96
SER A  98
ARG A 166
 CA  A1253 (-3.5A)
None
None
 0.72A 3loqA-2c4xA:
undetectable		 3loqA-2c4xA:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f7l 455AA LONG
HYPOTHETICAL
PHOSPHO-SUGAR MUTASE

(Sulfurisphaera
tokodaii) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		3 ASP A 243
SER A  97
ARG A 246
 None
 0.97A 3loqA-2f7lA:
undetectable		 3loqA-2f7lA:
21.38
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.
2fqz R.ECL18KI

(Enterobacter
cloacae) 		PF09019
(EcoRII-C) 		3 ASP A 210
SER A 212
ARG A 186
 None
 1.00A 3loqA-2fqzA:
undetectable		 3loqA-2fqzA:
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.
2fuv PHOSPHOGLUCOMUTASE

(Salmonella
enterica) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		3 ASP A 306
SER A 146
ARG A 309
 MG  A 901 (-2.1A)
MG  A 901 (-2.1A)
None
 0.86A 3loqA-2fuvA:
2.3		 3loqA-2fuvA:
19.96
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.
2g8s GLUCOSE/SORBOSONE
DEHYDROGENASES

(Escherichia
coli) 		PF07995
(GSDH) 		3 ASP A  73
SER A  77
ARG A  79
 EDO  A3017 (-2.8A)
EDO  A3017 ( 4.6A)
EDO  A3017 ( 4.3A)
 0.99A 3loqA-2g8sA:
undetectable		 3loqA-2g8sA:
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.
2gsj PROTEIN PPL-2

(Parkia
platycephala) 		PF00704
(Glyco_hydro_18) 		3 ASP A  92
SER A  88
ARG A  40
 None
 1.02A 3loqA-2gsjA:
undetectable		 3loqA-2gsjA:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j04 YDR362CP

(Saccharomyces
cerevisiae) 		no annotation 3 ASP B 574
SER B 576
ARG B 601
 None
 0.99A 3loqA-2j04B:
undetectable		 3loqA-2j04B:
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.
2jax HYPOTHETICAL PROTEIN
TB31.7

(Mycobacterium
tuberculosis) 		PF00582
(Usp) 		3 ASP A  15
SER A  17
ARG A 123
 ATP  A1296 (-3.2A)
ATP  A1296 ( 4.2A)
None
 1.00A 3loqA-2jaxA:
22.6		 3loqA-2jaxA:
25.47
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.
2ji9 OXALYL-COA
DECARBOXYLASE

(Oxalobacter
formigenes) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		3 ASP A 167
SER A 107
ARG A 110
 None
 0.93A 3loqA-2ji9A:
undetectable		 3loqA-2ji9A:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nlv XISI PROTEIN-LIKE

(Trichormus
variabilis) 		PF08869
(XisI) 		3 ASP A  22
SER A  24
ARG A  56
 None
 1.02A 3loqA-2nlvA:
undetectable		 3loqA-2nlvA:
16.49
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.
2oys HYPOTHETICAL PROTEIN
SP1951

(Streptococcus
pneumoniae) 		PF03358
(FMN_red) 		3 ASP A  62
SER A  65
ARG A 104
 None
 0.93A 3loqA-2oysA:
2.1		 3loqA-2oysA:
21.22
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.
2qgi ATP SYNTHASE
SUBUNITS REGION ORF
6

(Rhodobacter
blasticus) 		no annotation 3 ASP A  12
SER A  14
ARG A 162
 None
 0.67A 3loqA-2qgiA:
undetectable		 3loqA-2qgiA:
23.32
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.
2qzx CANDIDAPEPSIN-5

(Candida
albicans) 		PF00026
(Asp) 		3 ASP A  86
SER A  88
ARG A 120
 None
 0.59A 3loqA-2qzxA:
undetectable		 3loqA-2qzxA:
22.66
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.
2r98 PUTATIVE
ACETYLGLUTAMATE
SYNTHASE

(Neisseria
gonorrhoeae) 		PF00583
(Acetyltransf_1)
PF00696
(AA_kinase) 		3 ASP A  88
SER A  91
ARG A  85
 None
 1.02A 3loqA-2r98A:
3.9		 3loqA-2r98A:
22.88
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.
2xwb COMPLEMENT FACTOR B

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin)
PF00092
(VWA) 		3 ASP F 673
SER F 609
ARG F 705
 None
 0.98A 3loqA-2xwbF:
2.1		 3loqA-2xwbF:
18.58
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.
2y9e MYOSIN-2

(Dictyostelium
discoideum) 		PF00063
(Myosin_head)
PF02736
(Myosin_N) 		3 ASP X  90
SER X  92
ARG X 689
 None
 0.84A 3loqA-2y9eX:
undetectable		 3loqA-2y9eX:
17.55
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.
3bf0 PROTEASE 4

(Escherichia
coli) 		PF01343
(Peptidase_S49) 		3 ASP A 127
SER A 130
ARG A 371
 None
 0.81A 3loqA-3bf0A:
3.3		 3loqA-3bf0A:
21.55
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.
3d5e PLATELET-ACTIVATING
FACTOR
ACETYLHYDROLASE

(Homo sapiens) 		PF03403
(PAF-AH_p_II) 		3 ASP A 181
SER A 183
ARG A 218
 None
 0.89A 3loqA-3d5eA:
undetectable		 3loqA-3d5eA:
21.09
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.
3ddu PROLYL ENDOPEPTIDASE

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		3 ASP A 642
SER A 148
ARG A 128
 None
 0.87A 3loqA-3dduA:
undetectable		 3loqA-3dduA:
17.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f6u VITAMIN K-DEPENDENT
PROTEIN C HEAVY
CHAIN

(Homo sapiens) 		PF00089
(Trypsin) 		3 ASP H 100
SER H 177
ARG H 233
 None
 1.01A 3loqA-3f6uH:
undetectable		 3loqA-3f6uH:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fm0 PROTEIN CIAO1

(Homo sapiens) 		PF00400
(WD40) 		3 ASP A 325
SER A 303
ARG A  10
 None
 1.00A 3loqA-3fm0A:
undetectable		 3loqA-3fm0A:
20.88
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.
3i6r DIHYDROOROTATE
DEHYDROGENASE
HOMOLOG,
MITOCHONDRIAL

(Plasmodium
falciparum) 		PF01180
(DHO_dh) 		3 ASP A 200
SER A 202
ARG A 544
 None
 0.67A 3loqA-3i6rA:
undetectable		 3loqA-3i6rA:
24.63
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.
3kke LACI FAMILY
TRANSCRIPTIONAL
REGULATOR

(Mycolicibacterium
smegmatis) 		PF13377
(Peripla_BP_3) 		3 ASP A 320
SER A 156
ARG A 153
 None
 0.77A 3loqA-3kkeA:
3.7		 3loqA-3kkeA:
21.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3loq UNIVERSAL STRESS
PROTEIN

(Archaeoglobus
fulgidus) 		PF00582
(Usp) 		3 ASP A 154
SER A 156
ARG A 236
 ACT  A 276 ( 3.6A)
ACT  A 277 ( 3.8A)
ACT  A 277 (-4.4A)
 0.00A 3loqA-3loqA:
49.7		 3loqA-3loqA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m62 UBIQUITIN
CONJUGATION FACTOR
E4

(Saccharomyces
cerevisiae) 		PF04564
(U-box)
PF10408
(Ufd2P_core) 		3 ASP A 826
SER A 770
ARG A 828
 None
 1.01A 3loqA-3m62A:
undetectable		 3loqA-3m62A:
15.99
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.
3muo PROLYL ENDOPEPTIDASE

(Aeromonas
caviae) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		3 ASP A 623
SER A 149
ARG A 152
 None
 0.99A 3loqA-3muoA:
undetectable		 3loqA-3muoA:
18.22
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.
3myu HIGH AFFINITY
TRANSPORT SYSTEM
PROTEIN P37

(Mycoplasma
genitalium) 		PF06646
(Mycoplasma_p37) 		3 ASP A 268
SER A 272
ARG A 255
 None
 0.98A 3loqA-3myuA:
undetectable		 3loqA-3myuA:
22.75
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.
3nby SNURPORTIN-1

(Homo sapiens) 		PF11538
(Snurportin1) 		3 ASP B 113
SER B 112
ARG B  44
 None
 0.88A 3loqA-3nbyB:
undetectable		 3loqA-3nbyB:
20.26
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.
3o3o ALPHA-SUBUNIT
2-HYDROXYISOCAPROYL-
COA DEHYDRATASE

(Clostridioides
difficile) 		PF06050
(HGD-D) 		3 ASP A 374
SER A 345
ARG A  88
 None
 0.90A 3loqA-3o3oA:
undetectable		 3loqA-3o3oA:
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.
3o9p PERIPLASMIC MUREIN
PEPTIDE-BINDING
PROTEIN

(Escherichia
coli) 		PF00496
(SBP_bac_5) 		3 ASP A  42
SER A 507
ARG A  17
 None
 0.88A 3loqA-3o9pA:
2.2		 3loqA-3o9pA:
19.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oep PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0988

(Thermus
thermophilus) 		PF02626
(CT_A_B)
PF02682
(CT_C_D) 		3 ASP A 254
SER A 257
ARG A 384
 None
 0.52A 3loqA-3oepA:
undetectable		 3loqA-3oepA:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qh6 CT296

(Chlamydia
trachomatis) 		PF16802
(DUF5070) 		3 ASP A  29
SER A  28
ARG A   0
 None
 1.02A 3loqA-3qh6A:
undetectable		 3loqA-3qh6A:
19.66
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.
3s6b METHIONINE
AMINOPEPTIDASE

(Plasmodium
falciparum) 		PF00557
(Peptidase_M24) 		3 ASP A 124
SER A 354
ARG A 350
 GOL  A 371 (-3.8A)
None
None
 0.92A 3loqA-3s6bA:
undetectable		 3loqA-3s6bA:
27.23
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.
3t6g SH2
DOMAIN-CONTAINING
PROTEIN 3C

(Homo sapiens) 		PF00617
(RasGEF) 		3 ASP A 478
SER A 395
ARG A 446
 None
 0.96A 3loqA-3t6gA:
undetectable		 3loqA-3t6gA:
22.47
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.
3taw HYPOTHETICAL
GLYCOSIDE HYDROLASE

(Parabacteroides
distasonis) 		PF04041
(Glyco_hydro_130) 		3 ASP A 100
SER A 102
ARG A  69
 None
 0.83A 3loqA-3tawA:
undetectable		 3loqA-3tawA:
22.84
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.
3tf7 42F3 MUT7 SCFV (42F3
ALPHA CHAIN, LINKER,
42F3 BETA CHAIN)

(Mus musculus) 		PF07686
(V-set) 		3 ASP C  70
SER C  72
ARG C  21
 None
 0.96A 3loqA-3tf7C:
undetectable		 3loqA-3tf7C:
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.
3txo PROTEIN KINASE C ETA
TYPE

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		3 ASP A 640
SER A 642
ARG A 634
 None
 0.84A 3loqA-3txoA:
undetectable		 3loqA-3txoA:
21.81
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.
3w25 GLYCOSIDE HYDROLASE
FAMILY 10

(Thermoanaerobacterium
saccharolyticum) 		PF00331
(Glyco_hydro_10) 		3 ASP A 297
SER A 295
ARG A  27
 None
 0.99A 3loqA-3w25A:
undetectable		 3loqA-3w25A:
17.94
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.
4aq4 SN-GLYCEROL-3-PHOSPH
ATE-BINDING
PERIPLASMIC PROTEIN
UGPB

(Escherichia
coli) 		PF13416
(SBP_bac_8) 		3 ASP A 107
SER A 108
ARG A 366
 None
 1.00A 3loqA-4aq4A:
undetectable		 3loqA-4aq4A:
23.29
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.
4asm BETA-AGARASE D

(Zobellia
galactanivorans) 		no annotation 3 ASP B 322
SER B 332
ARG B  92
 None
 0.99A 3loqA-4asmB:
undetectable		 3loqA-4asmB:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c3y 3-KETOSTEROID
DEHYDROGENASE

(Rhodococcus
erythropolis) 		PF00890
(FAD_binding_2) 		3 ASP A 289
SER A 291
ARG A 157
 None
 0.93A 3loqA-4c3yA:
3.4		 3loqA-4c3yA:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cs5 PROLIFERATING CELL
NUCLEAR ANTIGEN

(Litopenaeus
vannamei) 		PF00705
(PCNA_N)
PF02747
(PCNA_C) 		3 ASP A  41
SER A  43
ARG A 210
 None
 0.83A 3loqA-4cs5A:
undetectable		 3loqA-4cs5A:
21.20
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.
4dz4 AGMATINASE

(Burkholderia
thailandensis) 		PF00491
(Arginase) 		3 ASP A  87
SER A  19
ARG A  34
 EDO  A 406 (-3.3A)
EDO  A 406 (-3.7A)
None
 0.93A 3loqA-4dz4A:
undetectable		 3loqA-4dz4A:
22.10
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.
4em6 GLUCOSE-6-PHOSPHATE
ISOMERASE

(Brucella
melitensis) 		no annotation 3 ASP D 102
SER D 105
ARG D 303
 None
 0.58A 3loqA-4em6D:
3.5		 3loqA-4em6D:
18.35
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.
4gom DNA ADENINE
METHYLASE

(Escherichia
coli) 		PF02086
(MethyltransfD12) 		3 ASP D 173
SER D 176
ARG D  49
 None
 0.77A 3loqA-4gomD:
2.3		 3loqA-4gomD:
20.95
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.
4gtv GERANYLGERANYL
TRANSFERASE TYPE-2
SUBUNIT ALPHA

(Rattus
norvegicus) 		PF01239
(PPTA) 		3 ASP A 225
SER A 227
ARG A 141
 None
 0.66A 3loqA-4gtvA:
undetectable		 3loqA-4gtvA:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ir8 SEDOHEPTULOSE-1,7
BISPHOSPHATASE,
PUTATIVE

(Toxoplasma
gondii) 		PF00316
(FBPase) 		3 ASP A 218
SER A 262
ARG A 214
 None
 0.95A 3loqA-4ir8A:
undetectable		 3loqA-4ir8A:
25.74
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.
4j0x RIBOSOMAL
RNA-PROCESSING
PROTEIN 9

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		3 ASP A 403
SER A 401
ARG A 551
 None
 0.96A 3loqA-4j0xA:
undetectable		 3loqA-4j0xA:
21.84
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.
4k6l CYTOLETHAL
DISTENDING TOXIN
SUBUNIT B HOMOLOG
PUTATIVE
PERTUSSIS-LIKE TOXIN
SUBUNIT

(Salmonella
enterica;
Salmonella
enterica) 		PF03372
(Exo_endo_phos)
PF02917
(Pertussis_S1) 		3 ASP F  26
SER G 139
ARG F 246
 None
 0.98A 3loqA-4k6lF:
undetectable		 3loqA-4k6lF:
22.64
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.
4m0x CHLOROMUCONATE
CYCLOISOMERASE

(Rhodococcus
opacus) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 ASP A  82
SER A  84
ARG A 118
 None
 0.95A 3loqA-4m0xA:
2.7		 3loqA-4m0xA:
23.64
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.
4mob ACYL-COENZYME A
THIOESTERASE 12

(Homo sapiens) 		PF03061
(4HBT) 		3 ASP A 310
SER A 307
ARG A 179
 None
 0.75A 3loqA-4mobA:
undetectable		 3loqA-4mobA:
22.44
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.
4ope NRPS/PKS

(Streptomyces
albus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		3 ASP A4289
SER A4292
ARG A4791
 None
 0.96A 3loqA-4opeA:
undetectable		 3loqA-4opeA:
20.07
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.
4pb6 VP1

(Feline
calicivirus) 		PF00915
(Calici_coat) 		3 ASP A 626
SER A 625
ARG A 559
 None
 0.96A 3loqA-4pb6A:
undetectable		 3loqA-4pb6A:
18.84
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.
4pir 5-HYDROXYTRYPTAMINE
RECEPTOR 3A

(Mus musculus) 		PF02931
(Neur_chan_LBD)
PF02932
(Neur_chan_memb) 		3 ASP A 238
SER A 297
ARG A 251
 None
 1.00A 3loqA-4pirA:
undetectable		 3loqA-4pirA:
21.51
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.
4qg5 PUTATIVE
PHOSPHOGLUCOMUTASE

(Leishmania
major) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		3 ASP A 301
SER A 118
ARG A 304
 MG  A 601 (-2.4A)
MG  A 601 (-1.9A)
MG  A 601 ( 4.7A)
 0.73A 3loqA-4qg5A:
undetectable		 3loqA-4qg5A:
20.44
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.
4wbh PROTEIN NOTUM
HOMOLOG

(Homo sapiens) 		PF03283
(PAE) 		3 ASP A 103
SER A 105
ARG A 150
 None
 0.83A 3loqA-4wbhA:
undetectable		 3loqA-4wbhA:
16.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wbh PROTEIN NOTUM
HOMOLOG

(Homo sapiens) 		PF03283
(PAE) 		3 ASP A 103
SER A 148
ARG A 150
 None
 0.96A 3loqA-4wbhA:
undetectable		 3loqA-4wbhA:
16.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wmy INTELECTIN-1

(Homo sapiens) 		no annotation 3 ASP A  71
SER A  74
ARG A 168
 None
 0.92A 3loqA-4wmyA:
undetectable		 3loqA-4wmyA:
23.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z64 PHYTOSULFOKINE
RECEPTOR 1

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13855
(LRR_8) 		3 ASP A 469
SER A 471
ARG A 509
 None
 0.98A 3loqA-4z64A:
undetectable		 3loqA-4z64A:
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.
5aor DOSAGE COMPENSATION
REGULATOR

(Drosophila
melanogaster) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF04408
(HA2)
PF07717
(OB_NTP_bind) 		3 ASP A 882
SER A 983
ARG A 933
 None
 0.67A 3loqA-5aorA:
2.1		 3loqA-5aorA:
12.29
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.
5b2o CRISPR-ASSOCIATED
ENDONUCLEASE CAS9

(Francisella
tularensis) 		no annotation 3 ASP A1180
SER A1182
ARG A 620
 None
 0.87A 3loqA-5b2oA:
2.2		 3loqA-5b2oA:
10.59
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.
5b2o CRISPR-ASSOCIATED
ENDONUCLEASE CAS9

(Francisella
tularensis) 		no annotation 3 ASP A1180
SER A1182
ARG A 625
 None
 1.02A 3loqA-5b2oA:
2.2		 3loqA-5b2oA:
10.59
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.
5boi GERMINATION PROTEIN
YPEB

(Bacillus
megaterium) 		PF03413
(PepSY)
PF14620
(YPEB) 		3 ASP A 352
SER A 349
ARG A 285
 None
 0.72A 3loqA-5boiA:
undetectable		 3loqA-5boiA:
23.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bp9 PUTATIVE
METHYLTRANSFERASE
PROTEIN

(Bacteroides
fragilis) 		PF13489
(Methyltransf_23) 		3 ASP A 207
SER A  50
ARG A 209
 None
 1.01A 3loqA-5bp9A:
undetectable		 3loqA-5bp9A:
25.57
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.
5d8m METAGENOMIC CARBOXYL
ESTERASE MGS0156

(uncultured
organism) 		no annotation 3 ASP A 237
SER A 206
ARG A 304
 None
 0.89A 3loqA-5d8mA:
undetectable		 3loqA-5d8mA:
22.16
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.
5dzt CYLM

(Enterococcus
faecalis) 		PF05147
(LANC_like)
PF13575
(DUF4135) 		3 ASP A 558
SER A 579
ARG A 256
 None
 0.92A 3loqA-5dztA:
undetectable		 3loqA-5dztA:
14.47
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.
5e6k POLYKETIDE SYNTHASE
PKSL

(Bacillus
subtilis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		3 ASP A 104
SER A 577
ARG A  21
 None
 1.00A 3loqA-5e6kA:
undetectable		 3loqA-5e6kA:
20.03
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.
5gzu CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		3 ASP A1351
SER A1271
ARG A 576
 None
 0.80A 3loqA-5gzuA:
2.1		 3loqA-5gzuA:
16.53
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.
5h5z MHC CLASS I ANTIGEN

(Ctenopharyngodon
idella) 		no annotation 3 ASP A 232
SER A 234
ARG A 178
 None
 0.91A 3loqA-5h5zA:
undetectable		 3loqA-5h5zA:
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.
5jm0 ALPHA-MANNOSIDASE,AL
PHA-MANNOSIDASE,ALPH
A-MANNOSIDASE

(Saccharomyces
cerevisiae) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		3 ASP A 455
SER A 457
ARG A1072
 None
 0.88A 3loqA-5jm0A:
undetectable		 3loqA-5jm0A:
14.73
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.
5jp3 XANTHOMONAS OUTER
PROTEIN D

(Xanthomonas
euvesicatoria) 		PF02902
(Peptidase_C48) 		3 ASP A 466
SER A 469
ARG A 505
 None
 0.90A 3loqA-5jp3A:
undetectable		 3loqA-5jp3A:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kf7 BIFUNCTIONAL PROTEIN
PUTA

(Sinorhizobium
meliloti) 		PF00171
(Aldedh)
PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		3 ASP A 855
SER A 821
ARG A 138
 None
 0.99A 3loqA-5kf7A:
undetectable		 3loqA-5kf7A:
13.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5msw THIOESTER REDUCTASE
DOMAIN-CONTAINING
PROTEIN

(Segniliparus
rugosus) 		PF00501
(AMP-binding)
PF00550
(PP-binding) 		3 ASP A 521
SER A 538
ARG A 632
 None
 0.95A 3loqA-5mswA:
4.3		 3loqA-5mswA:
13.73
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.
5n8o DNA HELICASE I

(Escherichia
coli) 		PF07057
(TraI)
PF08751
(TrwC)
PF13604
(AAA_30) 		3 ASP A 508
SER A 472
ARG A 807
 None
 0.86A 3loqA-5n8oA:
undetectable		 3loqA-5n8oA:
10.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5swi SUGAR HYDROLASE

(Streptococcus
pneumoniae) 		no annotation 3 ASP B 360
SER B 427
ARG B 398
 None
 0.89A 3loqA-5swiB:
undetectable		 3loqA-5swiB:
18.10
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.
5vf5 SM80.1 VICILIN

(Solanum
melongena) 		no annotation 3 ASP A  29
SER A  21
ARG A  24
 NA  A 501 ( 4.9A)
None
None
 0.92A 3loqA-5vf5A:
undetectable		 3loqA-5vf5A:
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.
5voc ENVELOPE
GLYCOPROTEIN UL130
ENVELOPE
GLYCOPROTEIN UL131A

(Human
betaherpesvirus
5;
Human
betaherpesvirus
5) 		PF11668
(Gp_UL130)
no annotation 		3 ASP D 185
SER D 187
ARG E 104
 None
 1.02A 3loqA-5vocD:
undetectable		 3loqA-5vocD:
19.87
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.
5vt9 MYOSIN LIGHT CHAIN
TGMLC1
MYOSIN-A

(Toxoplasma
gondii;
Toxoplasma
gondii) 		no annotation
no annotation 		3 ASP A 116
SER A 113
ARG C 808
 None
 0.85A 3loqA-5vt9A:
undetectable		 3loqA-5vt9A:
18.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xtb NADH DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR PROTEIN
4, MITOCHONDRIAL

(Homo sapiens) 		PF04800
(ETC_C1_NDUFA4) 		3 ASP L 119
SER L 122
ARG L 106
 None
 0.74A 3loqA-5xtbL:
undetectable		 3loqA-5xtbL:
18.34
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.
6c33 5'-3' EXONUCLEASE

(Mycolicibacterium
smegmatis) 		no annotation 3 ASP A 205
SER A 207
ARG A 147
 MN  A 403 (-2.8A)
None
None
 0.85A 3loqA-6c33A:
3.5		 3loqA-6c33A:
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.
6cri


(;
) 		no annotation
no annotation 		3 ASP G 358
SER G 360
ARG S  42
 None
 0.97A 3loqA-6criG:
undetectable		 3loqA-6criG:
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.
6fgk GTP
PYROPHOSPHOKINASE
YWAC

(Bacillus
subtilis) 		no annotation 3 ASP A 163
SER A 167
ARG A  58
 None
 1.02A 3loqA-6fgkA:
undetectable		 3loqA-6fgkA:
undetectable