SIMILAR PATTERNS OF AMINO ACIDS FOR 3V81_C_NVPC901_1

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.
1b41 ACETYLCHOLINESTERASE

(Homo sapiens) 		PF00135
(COesterase) 		4 LEU A  92
VAL A 282
VAL A 153
TYR A  72
 None
 1.11A 3v81C-1b41A:
0.0		 3v81C-1b41A:
21.18
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.
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus) 		PF00850
(Hist_deacetyl) 		4 LEU A 252
VAL A 185
VAL A 175
LEU A 154
 None
 1.11A 3v81C-1c3rA:
0.0		 3v81C-1c3rA:
21.34
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.
1g8k ARSENITE OXIDASE

(Alcaligenes
faecalis) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		4 LEU A 574
TYR A 143
LEU A 151
TYR A 578
 None
 0.88A 3v81C-1g8kA:
0.0		 3v81C-1g8kA:
21.13
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.
1kcx DIHYDROPYRIMIDINASE
RELATED PROTEIN-1

(Mus musculus) 		PF01979
(Amidohydro_1) 		4 LEU A 116
VAL A 161
VAL A 108
LEU A 152
 None
 0.98A 3v81C-1kcxA:
0.0		 3v81C-1kcxA:
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.
1lc7 L-THREONINE-O-3-PHOS
PHATE DECARBOXYLASE

(Salmonella
enterica) 		PF00155
(Aminotran_1_2) 		4 LEU A 353
VAL A 292
TYR A 336
LEU A 315
 None
 1.10A 3v81C-1lc7A:
undetectable		 3v81C-1lc7A:
20.96
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.
1lc7 L-THREONINE-O-3-PHOS
PHATE DECARBOXYLASE

(Salmonella
enterica) 		PF00155
(Aminotran_1_2) 		4 VAL A 338
VAL A 292
TYR A 336
LEU A 315
 None
 0.84A 3v81C-1lc7A:
undetectable		 3v81C-1lc7A:
20.96
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.
1nlf REGULATORY PROTEIN
REPA

(Escherichia
coli) 		PF13481
(AAA_25) 		4 VAL A 102
VAL A  71
TYR A  73
LEU A  90
 None
 0.96A 3v81C-1nlfA:
undetectable		 3v81C-1nlfA:
16.88
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.
1pwe L-SERINE DEHYDRATASE

(Rattus
norvegicus) 		PF00291
(PALP) 		4 LEU A 274
VAL A  27
VAL A 164
TYR A 278
 None
 0.78A 3v81C-1pweA:
undetectable		 3v81C-1pweA:
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.
1rfv PYRIDOXAL KINASE

(Ovis aries) 		PF08543
(Phos_pyr_kin) 		4 LEU A   8
VAL A  94
LEU A  69
TYR A  77
 None
 0.96A 3v81C-1rfvA:
undetectable		 3v81C-1rfvA:
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.
1wmi HYPOTHETICAL PROTEIN
PHS013

(Pyrococcus
horikoshii) 		PF05016
(ParE_toxin) 		4 LEU A  33
VAL A  45
VAL A  66
TYR A  57
 None
 0.95A 3v81C-1wmiA:
undetectable		 3v81C-1wmiA:
11.25
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.
1x25 HYPOTHETICAL UPF0076
PROTEIN ST0811

(Sulfurisphaera
tokodaii) 		PF01042
(Ribonuc_L-PSP) 		4 LEU A  54
VAL A 120
VAL A  76
LEU A  68
 None
 1.03A 3v81C-1x25A:
undetectable		 3v81C-1x25A:
14.18
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.
1xvt CROTONOBETAINYL-COA:
CARNITINE
COA-TRANSFERASE

(Escherichia
coli) 		PF02515
(CoA_transf_3) 		4 LEU A 181
VAL A  17
TRP A  36
LEU A  12
 None
 0.80A 3v81C-1xvtA:
undetectable		 3v81C-1xvtA:
22.57
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.
1yhu HEMOGLOBIN A1 CHAIN

(Riftia
pachyptila) 		PF00042
(Globin) 		4 LEU A  72
VAL A 117
TYR A 134
LEU A  33
 HEM  A 160 (-4.5A)
None
None
None
 1.04A 3v81C-1yhuA:
2.1		 3v81C-1yhuA:
14.03
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.
1zl6 BOTULINUM NEUROTOXIN
TYPE E

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		4 LEU A 274
VAL A 318
TYR A 306
LEU A 330
 None
 0.91A 3v81C-1zl6A:
undetectable		 3v81C-1zl6A:
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.
2ag8 PYRROLINE-5-CARBOXYL
ATE REDUCTASE

(Neisseria
meningitidis) 		PF03807
(F420_oxidored)
PF14748
(P5CR_dimer) 		4 LEU A  85
VAL A   3
VAL A  15
LEU A  83
 None
 0.95A 3v81C-2ag8A:
undetectable		 3v81C-2ag8A:
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.
2d2n GIANT HEMOGLOBIN,
A1(B) GLOBIN CHAIN

(Oligobrachia
mashikoi) 		PF00042
(Globin) 		4 LEU A  70
VAL A 115
TYR A 131
LEU A  31
 HEM  A 200 ( 4.6A)
None
None
None
 0.98A 3v81C-2d2nA:
undetectable		 3v81C-2d2nA:
14.15
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.
2ef0 ORNITHINE
CARBAMOYLTRANSFERASE

(Thermus
thermophilus) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 LEU A 145
VAL A 256
TYR A 218
LEU A 179
 None
 0.96A 3v81C-2ef0A:
undetectable		 3v81C-2ef0A:
21.18
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.
2hih LIPASE 46 KDA FORM

(Staphylococcus
hyicus) 		no annotation 4 LEU A 133
VAL A  64
TYR A  79
LEU A 158
 None
 1.05A 3v81C-2hihA:
undetectable		 3v81C-2hihA:
20.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hnz REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H

(Human
immunodeficiency
virus 1) 		PF00075
(RNase_H)
PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		8 LEU A 100
VAL A 106
VAL A 179
TYR A 181
TYR A 188
TRP A 229
LEU A 234
TYR A 318
 PC0  A 999 ( 3.9A)
PC0  A 999 ( 4.8A)
PC0  A 999 (-4.4A)
PC0  A 999 (-3.9A)
PC0  A 999 (-4.1A)
PC0  A 999 ( 4.2A)
PC0  A 999 (-4.2A)
PC0  A 999 (-4.3A)
 0.66A 3v81C-2hnzA:
36.6		 3v81C-2hnzA:
98.31
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.
2iuy GLYCOSYLTRANSFERASE

(Streptomyces
viridochromogenes) 		PF00534
(Glycos_transf_1) 		4 LEU A  53
VAL A  97
TYR A 338
LEU A  18
 None
 1.04A 3v81C-2iuyA:
undetectable		 3v81C-2iuyA:
19.26
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.
2j4l URIDYLATE KINASE

(Sulfolobus
solfataricus) 		PF00696
(AA_kinase) 		4 LEU A   5
VAL A 107
VAL A  79
LEU A  30
 None
 1.08A 3v81C-2j4lA:
undetectable		 3v81C-2j4lA:
18.88
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.
2kbg NEURAL CELL ADHESION
MOLECULE 2

(Homo sapiens) 		PF00041
(fn3) 		4 LEU A  20
VAL A  37
TYR A  71
TYR A  39
 None
 0.96A 3v81C-2kbgA:
undetectable		 3v81C-2kbgA:
11.93
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.
2q6u NIKD PROTEIN

(Streptomyces
tendae) 		PF01266
(DAO) 		4 LEU A 335
VAL A 201
VAL A  15
LEU A 370
 None
None
FAD  A 401 ( 3.8A)
None
 1.01A 3v81C-2q6uA:
undetectable		 3v81C-2q6uA:
20.94
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.
2rkb SERINE
DEHYDRATASE-LIKE

(Homo sapiens) 		PF00291
(PALP) 		4 LEU A 280
VAL A  34
VAL A 170
TYR A 284
 None
 0.76A 3v81C-2rkbA:
undetectable		 3v81C-2rkbA:
20.94
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.
2vfa HYPOXANTHINE-GUANINE
-XANTHINE
PHOSPHORIBOSYLTRANSF
ERASE,
HYPOXANTHINE-GUANINE
PHOSPHORIBOSYLTRANSF
ERASE

(Homo sapiens;
Plasmodium
falciparum) 		PF00156
(Pribosyltran) 		4 LEU A 130
VAL A  71
LEU A 157
TYR A 161
 None
 1.08A 3v81C-2vfaA:
undetectable		 3v81C-2vfaA:
18.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xr7 MALONYLTRANSFERASE

(Nicotiana
tabacum) 		PF02458
(Transferase) 		4 LEU A 256
VAL A 345
TYR A 276
LEU A 453
 None
 0.90A 3v81C-2xr7A:
2.3		 3v81C-2xr7A:
21.60
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.
2zbl PUTATIVE ISOMERASE

(Salmonella
enterica) 		PF07221
(GlcNAc_2-epim) 		4 LEU A 198
VAL A 178
TYR A 185
LEU A 263
 None
 1.07A 3v81C-2zblA:
undetectable		 3v81C-2zblA:
20.10
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.
2zo6 CYAN-EMITTING
GFP-LIKE PROTEIN,
KUSABIRA-CYAN (KCY)

(Verrillofungia
concinna) 		PF01353
(GFP) 		4 LEU A  57
VAL A 199
VAL A 206
LEU A  50
 None
None
GYS  A  63 ( 4.9A)
None
 0.89A 3v81C-2zo6A:
undetectable		 3v81C-2zo6A:
17.67
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.
3alx HEMAGGLUTININ,LINKER
,CDW150

(Measles
morbillivirus;
Saguinus
oedipus;
synthetic
construct) 		PF00423
(HN)
PF06214
(SLAM) 		4 LEU A 205
VAL A 234
TYR A 214
TYR A 275
 None
 0.88A 3v81C-3alxA:
undetectable		 3v81C-3alxA:
22.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3av6 DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Mus musculus) 		PF00145
(DNA_methylase)
PF01426
(BAH)
PF02008
(zf-CXXC)
PF12047
(DNMT1-RFD) 		4 LEU A 819
VAL A 837
TYR A 839
LEU A 898
 None
 1.02A 3v81C-3av6A:
undetectable		 3v81C-3av6A:
17.36
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.
3bhw UNCHARACTERIZED
PROTEIN

(Magnetospirillum
magneticum) 		PF08849
(DUF1819) 		4 LEU A 127
VAL A 152
LEU A  98
TYR A 126
 None
 0.95A 3v81C-3bhwA:
undetectable		 3v81C-3bhwA:
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.
3eoq PUTATIVE ZINC
PROTEASE

(Thermus
thermophilus) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		4 LEU A 196
VAL A  24
VAL A  17
LEU A  99
 None
 1.09A 3v81C-3eoqA:
3.5		 3v81C-3eoqA:
22.20
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.
3epf PROTEIN VP1

(Enterovirus C) 		PF00073
(Rhv) 		4 VAL 1 242
VAL 1 183
TYR 1 185
TYR 1 155
 None
 0.69A 3v81C-3epf1:
undetectable		 3v81C-3epf1:
18.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fhx PYRIDOXAL KINASE

(Homo sapiens) 		PF08543
(Phos_pyr_kin) 		4 LEU A   8
VAL A  94
LEU A  69
TYR A  77
 None
 1.02A 3v81C-3fhxA:
undetectable		 3v81C-3fhxA:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h1l CYTOCHROME B-C1
COMPLEX SUBUNIT
RIESKE,
MITOCHONDRIAL
MITOCHONDRIAL
UBIQUINOL-CYTOCHROME
-C REDUCTASE COMPLEX
CORE PROTEIN 2

(Gallus gallus) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF09165
(Ubiq-Cytc-red_N) 		4 VAL B 314
VAL B 258
TYR B 325
LEU I  64
 None
 0.87A 3v81C-3h1lB:
3.0		 3v81C-3h1lB:
22.15
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.
3iyl VP1

(Aquareovirus C) 		PF06016
(Reovirus_L2) 		4 LEU W1250
VAL W1271
VAL W1237
TYR W1287
 None
 0.96A 3v81C-3iylW:
undetectable		 3v81C-3iylW:
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.
3iz4 SSRA-BINDING PROTEIN

(Escherichia
coli) 		PF01668
(SmpB) 		4 LEU B  53
VAL B 115
TYR B  20
LEU B  86
 None
 1.01A 3v81C-3iz4B:
undetectable		 3v81C-3iz4B:
13.42
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.
3jzj ACARBOSE/MALTOSE
BINDING PROTEIN GACH

(Streptomyces
glaucescens) 		PF13416
(SBP_bac_8) 		4 VAL A  52
VAL A  79
TYR A  54
TYR A 310
 None
 0.95A 3v81C-3jzjA:
undetectable		 3v81C-3jzjA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l15 TRANSCRIPTIONAL
ENHANCER FACTOR
TEF-4

(Homo sapiens) 		no annotation 5 VAL A 252
VAL A 329
TYR A 327
TRP A 308
LEU A 306
 None
 1.37A 3v81C-3l15A:
undetectable		 3v81C-3l15A:
17.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mqo TRANSCRIPTIONAL
REGULATOR, LUXR
FAMILY

(Burkholderia
thailandensis) 		PF13426
(PAS_9) 		4 LEU A  51
VAL A  18
VAL A  93
LEU A  43
 None
 0.85A 3v81C-3mqoA:
undetectable		 3v81C-3mqoA:
9.64
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.
3ns4 VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 53

(Saccharomyces
cerevisiae) 		PF16854
(VPS53_C) 		4 LEU A 680
VAL A 619
LEU A 707
TYR A 686
 None
 1.02A 3v81C-3ns4A:
undetectable		 3v81C-3ns4A:
17.72
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.
3nur AMIDOHYDROLASE

(Staphylococcus
aureus) 		PF04909
(Amidohydro_2) 		4 LEU A 350
VAL A  91
TYR A 190
LEU A 312
 None
 0.89A 3v81C-3nurA:
undetectable		 3v81C-3nurA:
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.
3sll PROBABLE ENOYL-COA
HYDRATASE/ISOMERASE

(Mycobacteroides
abscessus) 		PF00378
(ECH_1) 		4 LEU A 195
VAL A 128
LEU A  15
TYR A 199
 None
 0.98A 3v81C-3sllA:
undetectable		 3v81C-3sllA:
20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sze SERINE PROTEASE ESPP

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		4 LEU A 901
VAL A 952
VAL A 962
LEU A 896
 None
 0.83A 3v81C-3szeA:
undetectable		 3v81C-3szeA:
20.29
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.
3vvl HOMOSERINE
O-ACETYLTRANSFERASE

(Streptomyces
lavendulae) 		PF00561
(Abhydrolase_1) 		4 LEU A 156
VAL A 308
VAL A 145
LEU A 303
 None
 0.80A 3v81C-3vvlA:
undetectable		 3v81C-3vvlA:
19.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wct A1 GLOBIN CHAIN OF
GIANT V2 HEMOGLOBIN

(Lamellibrachia
satsuma) 		PF00042
(Globin) 		4 LEU A  70
VAL A 115
TYR A 132
LEU A  31
 HEM  A 200 ( 4.6A)
None
None
None
 0.92A 3v81C-3wctA:
2.1		 3v81C-3wctA:
13.87
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.
3wcx SPHINGOMYELINASE C

(Streptomyces
griseocarneus) 		PF03372
(Exo_endo_phos) 		4 LEU A 104
VAL A  90
TYR A  56
LEU A  60
 None
 1.10A 3v81C-3wcxA:
undetectable		 3v81C-3wcxA:
18.59
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.
4c1t SUGAR TRANSPORTER
SOLUTE-BINDING
PROTEIN

(Bifidobacterium
animalis) 		PF01547
(SBP_bac_1) 		4 VAL A 121
VAL A 143
TYR A 319
LEU A 113
 None
 0.93A 3v81C-4c1tA:
1.5		 3v81C-4c1tA:
21.30
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.
4cg1 CUTINASE

(Thermobifida
fusca) 		PF12740
(Chlorophyllase2) 		4 LEU A 137
VAL A 166
VAL A 126
LEU A 192
 None
 1.05A 3v81C-4cg1A:
1.4		 3v81C-4cg1A:
18.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4csw CUPIN 4 FAMILY
PROTEIN

(Rhodothermus
marinus) 		PF08007
(Cupin_4) 		4 VAL A 121
TYR A 123
TRP A  87
LEU A  57
 None
UN9  A1391 ( 4.8A)
None
None
 0.88A 3v81C-4cswA:
undetectable		 3v81C-4cswA:
21.69
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.
4cta CINA-LIKE PROTEIN

(Thermus
thermophilus) 		PF00994
(MoCF_biosynth)
PF02464
(CinA) 		4 LEU A 149
VAL A   9
VAL A  54
LEU A  70
 None
None
None
ATP  A 400 (-3.8A)
 1.10A 3v81C-4ctaA:
5.9		 3v81C-4ctaA:
22.93
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.
4dlq LATROPHILIN-1

(Rattus
norvegicus) 		PF01825
(GPS)
PF02793
(HRM)
PF16489
(GAIN) 		4 VAL A 679
VAL A 620
TRP A 636
LEU A 733
 None
 0.95A 3v81C-4dlqA:
undetectable		 3v81C-4dlqA:
21.33
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.
4fd7 PUTATIVE
ARYLALKYLAMINE
N-ACETYLTRANSFERASE
7

(Aedes aegypti) 		PF00583
(Acetyltransf_1) 		4 LEU A 175
VAL A 237
TRP A   3
LEU A 148
 None
 0.89A 3v81C-4fd7A:
undetectable		 3v81C-4fd7A:
17.27
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.
4le5 S-ADENOSYLMETHIONINE
SYNTHETASE

(Campylobacter
jejuni) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		4 LEU A  69
VAL A 100
VAL A  49
LEU A  61
 None
 1.03A 3v81C-4le5A:
undetectable		 3v81C-4le5A:
21.35
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.
4lih GAMMA-GLUTAMYL-GAMMA
-AMINOBUTYRALDEHYDE
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00171
(Aldedh) 		4 LEU A 404
VAL A 366
VAL A 388
LEU A 321
 None
 1.04A 3v81C-4lihA:
undetectable		 3v81C-4lihA:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ln9 RIFAMYCIN POLYKETIDE
SYNTHASE

(Amycolatopsis
mediterranei) 		PF14765
(PS-DH) 		4 LEU A 219
VAL A 262
VAL A 284
LEU A 223
 None
 0.95A 3v81C-4ln9A:
undetectable		 3v81C-4ln9A:
19.65
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.
4mhb PUTATIVE ALDO/KETO
REDUCTASE

(Yersinia pestis) 		PF00248
(Aldo_ket_red) 		4 LEU A  89
VAL A 127
TYR A  95
TYR A 118
 None
 1.03A 3v81C-4mhbA:
undetectable		 3v81C-4mhbA:
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.
4oal CYTOKININ
DEHYDROGENASE 4

(Zea mays) 		PF01565
(FAD_binding_4)
PF09265
(Cytokin-bind) 		4 LEU A 324
VAL A 356
LEU A 349
TYR A 257
 None
 0.91A 3v81C-4oalA:
undetectable		 3v81C-4oalA:
21.11
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.
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum) 		PF00271
(Helicase_C) 		5 LEU A  91
VAL A 220
VAL A  82
TRP A  72
LEU A 229
 None
 1.34A 3v81C-4q2cA:
undetectable		 3v81C-4q2cA:
19.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q3l MGS-M2

(unidentified) 		PF00561
(Abhydrolase_1) 		4 LEU A  86
VAL A  27
VAL A  51
LEU A  82
 None
 0.91A 3v81C-4q3lA:
undetectable		 3v81C-4q3lA:
19.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qpv UNCHARACTERIZED
PROTEIN

(Staphylococcus
aureus) 		PF07901
(DUF1672) 		4 LEU A 247
TYR A 197
LEU A 167
TYR A 176
 None
 1.12A 3v81C-4qpvA:
undetectable		 3v81C-4qpvA:
21.42
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.
4r8l UNCHARACTERIZED
PROTEIN

(Cavia porcellus) 		PF00710
(Asparaginase) 		4 LEU A  13
TYR A  15
LEU A  39
TYR A  74
 None
 0.89A 3v81C-4r8lA:
undetectable		 3v81C-4r8lA:
20.32
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.
4r9g MBP1

(Caldanaerobius
polysaccharolyticus) 		PF13416
(SBP_bac_8) 		4 LEU A  82
VAL A  33
TYR A  40
LEU A  19
 None
 1.09A 3v81C-4r9gA:
undetectable		 3v81C-4r9gA:
22.51
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.
4w8y CRISPR SYSTEM CMR
SUBUNIT CMR2

(Pyrococcus
furiosus) 		PF12469
(DUF3692) 		4 LEU A 326
VAL A 368
TYR A 365
LEU A 252
 None
 1.06A 3v81C-4w8yA:
4.2		 3v81C-4w8yA:
22.00
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.
4wen K88 FIMBRIAL PROTEIN
AC

(Escherichia
coli) 		PF02432
(Fimbrial_K88) 		4 LEU A 229
VAL A 257
VAL A 275
TYR A 227
 None
 1.00A 3v81C-4wenA:
undetectable		 3v81C-4wenA:
19.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wz9 AGAP004809-PA

(Anopheles
gambiae) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		4 LEU A 492
VAL A 377
TRP A 471
LEU A 496
 None
 0.98A 3v81C-4wz9A:
2.6		 3v81C-4wz9A:
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.
4zcs CHOLINE-PHOSPHATE
CYTIDYLYLTRANSFERASE

(Plasmodium
falciparum) 		PF01467
(CTP_transf_like) 		4 LEU A 699
VAL A 619
TYR A 621
LEU A 744
 None
 0.89A 3v81C-4zcsA:
undetectable		 3v81C-4zcsA:
17.71
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.
5a5t EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT H

(Oryctolagus
cuniculus) 		PF01398
(JAB) 		4 LEU H 134
VAL H 149
TYR H 167
LEU H 169
 None
 1.04A 3v81C-5a5tH:
undetectable		 3v81C-5a5tH:
21.12
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.
5aee ALPHA-GLUCOSIDASE
YIHQ

(Escherichia
coli) 		PF01055
(Glyco_hydro_31) 		4 LEU A 568
VAL A 660
TYR A 662
LEU A 675
 None
 0.98A 3v81C-5aeeA:
undetectable		 3v81C-5aeeA:
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.
5c77 PROTEIN ARGININE
N-METHYLTRANSFERASE
SFM1

(Saccharomyces
cerevisiae) 		PF04252
(RNA_Me_trans) 		4 LEU A 127
VAL A 103
TYR A 101
TYR A 124
 None
 0.83A 3v81C-5c77A:
undetectable		 3v81C-5c77A:
18.08
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.
5chv UBL
CARBOXYL-TERMINAL
HYDROLASE 18

(Mus musculus) 		PF00443
(UCH) 		4 LEU A 361
VAL A 343
LEU A 206
TYR A 363
 None
 1.06A 3v81C-5chvA:
undetectable		 3v81C-5chvA:
20.23
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.
5dgg UNCHARACTERIZED
PROTEIN

(Legionella
pneumophila) 		no annotation 4 LEU A 224
VAL A 187
LEU A 148
TYR A 220
 None
 0.74A 3v81C-5dggA:
undetectable		 3v81C-5dggA:
14.29
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.
5dne L-ASPARAGINASE

(Cavia porcellus) 		PF00710
(Asparaginase) 		4 LEU A  13
TYR A  15
LEU A  39
TYR A  74
 None
 0.93A 3v81C-5dneA:
undetectable		 3v81C-5dneA:
21.96
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.
5ezb CHICKEN PRESTIN STAS
DOMAIN,CHICKEN
PRESTIN STAS DOMAIN

(Gallus gallus) 		PF01740
(STAS) 		4 LEU A 675
VAL A 712
VAL A 689
LEU A 702
 None
 0.92A 3v81C-5ezbA:
undetectable		 3v81C-5ezbA:
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.
5f15 4-AMINO-4-DEOXY-L-AR
ABINOSE (L-ARA4N)
TRANSFERASE

(Cupriavidus
metallidurans) 		PF13231
(PMT_2) 		4 LEU A 551
VAL A 483
VAL A 565
TYR A 481
 None
 0.94A 3v81C-5f15A:
undetectable		 3v81C-5f15A:
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.
5fg9 PROTEASOME SUBUNIT
BETA TYPE-2

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		4 LEU H 154
VAL H   4
TYR H 124
LEU H 146
 None
 0.59A 3v81C-5fg9H:
undetectable		 3v81C-5fg9H:
18.53
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.
5fg9 PROTEASOME SUBUNIT
BETA TYPE-2

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		4 LEU H 154
VAL H  13
VAL H   4
LEU H 146
 None
 0.89A 3v81C-5fg9H:
undetectable		 3v81C-5fg9H:
18.53
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.
5gut DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Mus musculus) 		PF00145
(DNA_methylase)
PF01426
(BAH) 		4 LEU A 819
VAL A 837
TYR A 839
LEU A 898
 None
 1.00A 3v81C-5gutA:
undetectable		 3v81C-5gutA:
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.
5gvi UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 30

(Danio rerio) 		PF00443
(UCH) 		4 LEU A 487
VAL A 479
LEU A 262
TYR A 489
 None
 1.05A 3v81C-5gviA:
undetectable		 3v81C-5gviA:
20.75
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.
5hca CALRETICULIN,CALRETI
CULIN

(Entamoeba
histolytica) 		no annotation 4 TYR C 175
TRP C 193
LEU C 300
TYR C 303
 None
 0.93A 3v81C-5hcaC:
undetectable		 3v81C-5hcaC:
19.25
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.
5hct ENDOTHIAPEPSIN

(Cryphonectria
parasitica) 		PF00026
(Asp) 		4 LEU A  41
VAL A  96
VAL A 101
LEU A  32
 None
 0.88A 3v81C-5hctA:
undetectable		 3v81C-5hctA:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hkq CDII IMMUNITY
PROTEIN

(Escherichia
coli) 		no annotation 4 VAL I  73
VAL I  83
TYR I  22
TYR I  10
 None
 0.92A 3v81C-5hkqI:
undetectable		 3v81C-5hkqI:
11.13
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.
5jm0 ALPHA-MANNOSIDASE,AL
PHA-MANNOSIDASE,ALPH
A-MANNOSIDASE

(Saccharomyces
cerevisiae) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		4 LEU A 432
VAL A 538
VAL A 368
LEU A 495
 None
 0.96A 3v81C-5jm0A:
undetectable		 3v81C-5jm0A:
19.54
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.
5nem INTEGRIN BETA-6

(Homo sapiens) 		PF00362
(Integrin_beta)
PF17205
(PSI_integrin) 		4 LEU B 306
TYR B 318
TYR B 321
LEU B 295
 None
 0.84A 3v81C-5nemB:
1.9		 3v81C-5nemB:
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.
5nhx OUTER MEMBRANE
PROTEIN A

(Klebsiella
pneumoniae) 		no annotation 4 LEU A  34
VAL A  50
VAL A 127
LEU A  10
 None
 1.10A 3v81C-5nhxA:
undetectable		 3v81C-5nhxA:
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.
5ohs -

(-) 		no annotation 4 LEU A 551
VAL A 645
TYR A 647
LEU A 660
 None
 0.99A 3v81C-5ohsA:
undetectable		 3v81C-5ohsA:
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.
5p60 ENDOTHIAPEPSIN

(Cryphonectria
parasitica) 		PF00026
(Asp) 		4 LEU A  41
VAL A  96
VAL A 101
LEU A  32
 None
 0.89A 3v81C-5p60A:
undetectable		 3v81C-5p60A:
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.
5t7d PHOSPHINOTHRICIN
N-ACETYLTRANSFERASE

(Streptomyces
hygroscopicus) 		PF13420
(Acetyltransf_4) 		4 LEU A 110
VAL A 180
TYR A  57
LEU A 114
 None
 0.93A 3v81C-5t7dA:
undetectable		 3v81C-5t7dA:
16.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u70 POTASSIUM CHANNEL
SUBFAMILY T MEMBER 1

(Gallus gallus) 		PF03493
(BK_channel_a)
PF07885
(Ion_trans_2) 		4 LEU A 360
VAL A 408
VAL A 398
LEU A 355
 None
 1.08A 3v81C-5u70A:
undetectable		 3v81C-5u70A:
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.
5ux4 CATHEPSIN D

(Rattus
norvegicus) 		no annotation 4 LEU A 316
VAL A 335
TYR A 324
LEU A 273
 None
 1.00A 3v81C-5ux4A:
undetectable		 3v81C-5ux4A:
8.63
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.
5v7q LSU RIBOSOMAL
PROTEIN L21P

(Mycobacterium
tuberculosis) 		PF00829
(Ribosomal_L21p) 		4 LEU R  38
VAL R  17
TYR R  15
LEU R  98
 None
 1.00A 3v81C-5v7qR:
undetectable		 3v81C-5v7qR:
11.49
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.
5vc1 L-SELECTIN

(Homo sapiens) 		PF00008
(EGF)
PF00059
(Lectin_C) 		4 VAL A  27
TYR A  49
TYR A   5
TYR A  37
 None
 1.10A 3v81C-5vc1A:
undetectable		 3v81C-5vc1A:
14.63
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.
5w8p HOMOSERINE
O-ACETYLTRANSFERASE

(Mycobacteroides
abscessus) 		PF00561
(Abhydrolase_1) 		4 LEU A 167
VAL A 319
VAL A 156
LEU A 338
 None
 1.07A 3v81C-5w8pA:
undetectable		 3v81C-5w8pA:
21.29
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.
5yhu MYELIN REGULATORY
FACTOR

(Homo sapiens) 		no annotation 4 LEU A 424
VAL A 370
VAL A 465
LEU A 495
 None
 1.02A 3v81C-5yhuA:
undetectable		 3v81C-5yhuA:
8.38
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.
6axf RAS GUANYL-RELEASING
PROTEIN 2

(Homo sapiens) 		no annotation 4 LEU A 279
VAL A 247
TYR A 289
LEU A 235
 None
 1.11A 3v81C-6axfA:
undetectable		 3v81C-6axfA:
21.24
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.
6az1 RIBOSOMAL PROTEIN
S7E

(Leishmania
donovani) 		no annotation 4 LEU I  27
VAL I  64
TYR I  66
LEU I  81
 None
 0.98A 3v81C-6az1I:
2.4		 3v81C-6az1I:
9.35
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.
6chj DIACYLGLYCEROL
O-ACYLTRANSFERASE

(Marinobacter
hydrocarbonoclasticus) 		no annotation 4 LEU A  97
VAL A 401
TYR A 399
LEU A 439
 None
 1.01A 3v81C-6chjA:
2.6		 3v81C-6chjA:
10.09
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.
6etz BETA-GALACTOSIDASE

(Arthrobacter
sp. 32cB) 		no annotation 4 LEU A 866
VAL A 846
TRP A 833
LEU A 756
 None
 1.10A 3v81C-6etzA:
undetectable		 3v81C-6etzA:
9.13
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.
6exv DNA-DIRECTED RNA
POLYMERASES I, II,
AND III SUBUNIT
RPABC1

(Sus scrofa) 		no annotation 4 VAL E  60
VAL E  28
TYR E  26
LEU E 103
 None
 1.06A 3v81C-6exvE:
2.2		 3v81C-6exvE:
11.49
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.
6f1d COMPLEMENT C1R
SUBCOMPONENT

(Homo sapiens) 		no annotation 4 LEU A 283
VAL A 266
TYR A 205
TYR A 181
 None
 1.12A 3v81C-6f1dA:
undetectable		 3v81C-6f1dA:
9.42