SIMILAR PATTERNS OF AMINO ACIDS FOR 3K9F_H_LFXH0

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.
1a8p NADPH:FERREDOXIN
OXIDOREDUCTASE

(Azotobacter
vinelandii) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		4 ARG A 196
GLY A 234
GLU A 227
GLU A 230
 None
 1.15A 3k9fA-1a8pA:
0.0
3k9fB-1a8pA:
0.0
3k9fD-1a8pA:
3.3		 3k9fA-1a8pA:
19.69
3k9fB-1a8pA:
19.69
3k9fD-1a8pA:
21.72
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.
1aso ASCORBATE OXIDASE

(Cucurbita pepo) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 SER A 442
GLY A 460
GLU A 467
GLU A 468
 None
 1.15A 3k9fA-1asoA:
0.0
3k9fB-1asoA:
0.0
3k9fD-1asoA:
undetectable		 3k9fA-1asoA:
20.69
3k9fB-1asoA:
20.69
3k9fD-1asoA:
20.04
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.
1b0n PROTEIN (SINR
PROTEIN)

(Bacillus
subtilis) 		PF01381
(HTH_3)
PF08671
(SinI) 		4 SER A  43
GLY A  25
GLU A  19
GLU A  22
 None
 1.11A 3k9fA-1b0nA:
0.0
3k9fB-1b0nA:
0.0
3k9fD-1b0nA:
undetectable		 3k9fA-1b0nA:
13.06
3k9fB-1b0nA:
13.06
3k9fD-1b0nA:
17.47
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.
1ffv CUTM, FLAVOPROTEIN
OF CARBON MONOXIDE
DEHYDROGENASE

(Hydrogenophaga
pseudoflava) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		4 SER C 129
ARG C 145
GLU C 162
GLU C 165
 None
 1.14A 3k9fA-1ffvC:
0.8
3k9fB-1ffvC:
0.4
3k9fD-1ffvC:
undetectable		 3k9fA-1ffvC:
20.79
3k9fB-1ffvC:
20.79
3k9fD-1ffvC:
23.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1foh PHENOL HYDROXYLASE

(Cutaneotrichosporon
cutaneum) 		PF01494
(FAD_binding_3)
PF07976
(Phe_hydrox_dim) 		4 ARG A 420
SER A 419
GLY A 241
GLU A 344
 None
 0.79A 3k9fA-1fohA:
0.0
3k9fB-1fohA:
0.0
3k9fD-1fohA:
undetectable		 3k9fA-1fohA:
22.65
3k9fB-1fohA:
22.65
3k9fD-1fohA:
17.07
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.
1g4u PROTEIN TYROSINE
PHOSPHATASE SPTP

(Salmonella
enterica) 		PF00102
(Y_phosphatase)
PF03545
(YopE) 		4 ARG S 516
SER S 348
GLY S 302
GLU S 286
 None
 1.06A 3k9fA-1g4uS:
0.0
3k9fB-1g4uS:
0.0
3k9fD-1g4uS:
2.2		 3k9fA-1g4uS:
21.92
3k9fB-1g4uS:
21.92
3k9fD-1g4uS:
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.
1gpe PROTEIN (GLUCOSE
OXIDASE)

(Penicillium
amagasakiense) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 SER A 526
ARG A 387
GLY A 388
GLU A 383
 None
 1.03A 3k9fA-1gpeA:
0.0
3k9fB-1gpeA:
0.0
3k9fD-1gpeA:
undetectable		 3k9fA-1gpeA:
21.71
3k9fB-1gpeA:
21.71
3k9fD-1gpeA:
17.32
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.
1gs9 APOLIPOPROTEIN E

(Homo sapiens) 		PF01442
(Apolipoprotein) 		4 ARG A 147
ARG A 114
GLY A 113
GLU A 121
 None
 1.02A 3k9fA-1gs9A:
undetectable
3k9fB-1gs9A:
undetectable
3k9fD-1gs9A:
undetectable		 3k9fA-1gs9A:
15.32
3k9fB-1gs9A:
15.32
3k9fD-1gs9A:
18.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gzh TUMOR SUPPRESSOR
P53-BINDING PROTEIN
1

(Homo sapiens) 		no annotation 4 SER B1834
ARG B1781
GLY B1785
GLU B1789
 None
 1.05A 3k9fA-1gzhB:
undetectable
3k9fB-1gzhB:
undetectable
3k9fD-1gzhB:
undetectable		 3k9fA-1gzhB:
19.60
3k9fB-1gzhB:
19.60
3k9fD-1gzhB:
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.
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		4 SER A 602
ARG A 174
GLY A 175
GLU A 507
 None
 1.01A 3k9fA-1h17A:
0.0
3k9fB-1h17A:
0.0
3k9fD-1h17A:
undetectable		 3k9fA-1h17A:
22.45
3k9fB-1h17A:
22.45
3k9fD-1h17A:
16.03
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.
1l8t AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E

(Enterococcus
faecalis) 		PF01636
(APH) 		4 ARG A 226
SER A 227
GLY A 189
GLU A  60
 KAN  A   1 (-4.0A)
KAN  A   1 (-4.3A)
None
ADP  A 300 ( 4.8A)
 0.84A 3k9fA-1l8tA:
2.0
3k9fB-1l8tA:
2.0
3k9fD-1l8tA:
undetectable		 3k9fA-1l8tA:
20.09
3k9fB-1l8tA:
20.09
3k9fD-1l8tA:
21.28
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.
1lzx NITRIC-OXIDE
SYNTHASE

(Rattus
norvegicus) 		PF02898
(NO_synthase) 		4 SER A 368
GLY A 575
GLU A 705
GLU A 573
 None
 1.00A 3k9fA-1lzxA:
undetectable
3k9fB-1lzxA:
undetectable
3k9fD-1lzxA:
undetectable		 3k9fA-1lzxA:
19.54
3k9fB-1lzxA:
19.54
3k9fD-1lzxA:
18.38
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.
1nvm 4-HYDROXY-2-OXOVALER
ATE ALDOLASE

(Pseudomonas sp.
CF600) 		PF00682
(HMGL-like)
PF07836
(DmpG_comm) 		4 SER A 226
ARG A 274
GLU A 281
GLU A 299
 None
 0.97A 3k9fA-1nvmA:
undetectable
3k9fB-1nvmA:
undetectable
3k9fD-1nvmA:
undetectable		 3k9fA-1nvmA:
23.36
3k9fB-1nvmA:
23.36
3k9fD-1nvmA:
20.80
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.
1pci PROCARICAIN

(Carica papaya) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		4 SER A  29
ARG A 112
GLY A 111
GLU A  98
 None
 1.08A 3k9fA-1pciA:
undetectable
3k9fB-1pciA:
undetectable
3k9fD-1pciA:
undetectable		 3k9fA-1pciA:
19.83
3k9fB-1pciA:
19.83
3k9fD-1pciA:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tah LIPASE

(Burkholderia
glumae) 		no annotation 4 ARG B 115
SER B 189
GLY B 183
GLU B 197
 None
 1.11A 3k9fA-1tahB:
undetectable
3k9fB-1tahB:
undetectable
3k9fD-1tahB:
2.8		 3k9fA-1tahB:
22.90
3k9fB-1tahB:
22.90
3k9fD-1tahB:
22.39
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.
1vax URIC ACID OXIDASE

(Arthrobacter
globiformis) 		PF01014
(Uricase) 		4 ARG A 285
ARG A 231
GLY A 230
GLU A 228
 None
 1.18A 3k9fA-1vaxA:
undetectable
3k9fB-1vaxA:
undetectable
3k9fD-1vaxA:
undetectable		 3k9fA-1vaxA:
20.36
3k9fB-1vaxA:
20.36
3k9fD-1vaxA:
18.55
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.
1ve2 UROPORPHYRIN-III
C-METHYLTRANSFERASE

(Thermus
thermophilus) 		PF00590
(TP_methylase) 		4 SER A 117
ARG A  94
GLY A  95
GLU A  97
 None
 1.06A 3k9fA-1ve2A:
undetectable
3k9fB-1ve2A:
undetectable
3k9fD-1ve2A:
2.3		 3k9fA-1ve2A:
18.33
3k9fB-1ve2A:
18.33
3k9fD-1ve2A:
22.46
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.
1ybw HEPATOCYTE GROWTH
FACTOR ACTIVATOR
PRECURSOR

(Homo sapiens) 		PF00089
(Trypsin) 		4 SER A 494
ARG A 624
GLY A 621
GLU A 545
 None
 1.05A 3k9fA-1ybwA:
undetectable
3k9fB-1ybwA:
undetectable
3k9fD-1ybwA:
undetectable		 3k9fA-1ybwA:
19.01
3k9fB-1ybwA:
19.01
3k9fD-1ybwA:
17.73
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.
1ys2 LIPASE

(Burkholderia
cepacia) 		PF00561
(Abhydrolase_1) 		4 ARG X 115
SER X 189
GLY X 183
GLU X 197
 None
 1.12A 3k9fA-1ys2X:
undetectable
3k9fB-1ys2X:
undetectable
3k9fD-1ys2X:
2.7		 3k9fA-1ys2X:
21.27
3k9fB-1ys2X:
21.27
3k9fD-1ys2X:
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.
2bbk METHYLAMINE
DEHYDROGENASE (HEAVY
SUBUNIT)

(Paracoccus
denitrificans) 		PF06433
(Me-amine-dh_H) 		4 SER H 297
ARG H 260
GLY H 234
GLU H 253
 None
 1.17A 3k9fA-2bbkH:
undetectable
3k9fB-2bbkH:
undetectable
3k9fD-2bbkH:
undetectable		 3k9fA-2bbkH:
23.11
3k9fB-2bbkH:
23.11
3k9fD-2bbkH:
18.56
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.
2be4 HYPOTHETICAL PROTEIN
LOC449832

(Danio rerio) 		PF13202
(EF-hand_5)
PF13499
(EF-hand_7) 		4 ARG A 194
ARG A 172
GLU A  87
GLU A  88
 None
 1.15A 3k9fA-2be4A:
undetectable
3k9fB-2be4A:
undetectable
3k9fD-2be4A:
undetectable		 3k9fA-2be4A:
20.16
3k9fB-2be4A:
20.16
3k9fD-2be4A:
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.
2buy PROTOCATECHUATE
3,4-DIOXYGENASE
ALPHA CHAIN

(Acinetobacter
sp. ADP1) 		PF00775
(Dioxygenase_C) 		4 ARG A 142
SER A 127
ARG A 117
GLY A 116
 None
 1.04A 3k9fA-2buyA:
undetectable
3k9fB-2buyA:
undetectable
3k9fD-2buyA:
undetectable		 3k9fA-2buyA:
17.21
3k9fB-2buyA:
17.21
3k9fD-2buyA:
23.02
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.
2euh NADP DEPENDENT NON
PHOSPHORYLATING
GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Streptococcus
mutans) 		PF00171
(Aldedh) 		4 ARG A 437
SER A 162
GLY A 230
GLU A 236
 NAP  A 476 (-4.5A)
None
NAP  A 476 (-3.1A)
None
 1.11A 3k9fA-2euhA:
undetectable
3k9fB-2euhA:
undetectable
3k9fD-2euhA:
2.0		 3k9fA-2euhA:
23.48
3k9fB-2euhA:
23.48
3k9fD-2euhA:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ftw DIHYDROPYRIMIDINE
AMIDOHYDROLASE

(Dictyostelium
discoideum) 		PF01979
(Amidohydro_1) 		4 ARG A 301
GLY A 252
GLU A 193
GLU A 225
 None
 0.96A 3k9fA-2ftwA:
undetectable
3k9fB-2ftwA:
undetectable
3k9fD-2ftwA:
undetectable		 3k9fA-2ftwA:
22.09
3k9fB-2ftwA:
22.09
3k9fD-2ftwA:
17.37
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.
2gwn DIHYDROOROTASE

(Porphyromonas
gingivalis) 		PF01979
(Amidohydro_1) 		4 SER A 397
ARG A 434
GLY A 433
GLU A 437
 None
 1.12A 3k9fA-2gwnA:
undetectable
3k9fB-2gwnA:
undetectable
3k9fD-2gwnA:
undetectable		 3k9fA-2gwnA:
21.25
3k9fB-2gwnA:
21.25
3k9fD-2gwnA:
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.
2iop CHAPERONE PROTEIN
HTPG

(Escherichia
coli) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		4 ARG A  33
SER A  37
GLY A 124
GLU A 107
 None
 0.99A 3k9fA-2iopA:
undetectable
3k9fB-2iopA:
undetectable
3k9fD-2iopA:
undetectable		 3k9fA-2iopA:
23.02
3k9fB-2iopA:
23.02
3k9fD-2iopA:
18.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2lkn AH
RECEPTOR-INTERACTING
PROTEIN

(Homo sapiens) 		PF00254
(FKBP_C) 		4 ARG A  81
GLY A  83
GLU A  20
GLU A  84
 None
 0.84A 3k9fA-2lknA:
undetectable
3k9fB-2lknA:
undetectable
3k9fD-2lknA:
undetectable		 3k9fA-2lknA:
16.45
3k9fB-2lknA:
16.45
3k9fD-2lknA:
21.48
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.
2nad NAD-DEPENDENT
FORMATE
DEHYDROGENASE

(Pseudomonas sp.
101) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		4 ARG A 359
GLY A 358
GLU A 353
GLU A 357
 None
 1.01A 3k9fA-2nadA:
undetectable
3k9fB-2nadA:
undetectable
3k9fD-2nadA:
2.3		 3k9fA-2nadA:
19.84
3k9fB-2nadA:
19.84
3k9fD-2nadA:
21.32
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.
2q0x UNCHARACTERIZED
PROTEIN

(Trypanosoma
brucei) 		PF08538
(DUF1749) 		4 SER A  82
ARG A 172
GLY A 171
GLU A 170
 None
 1.06A 3k9fA-2q0xA:
undetectable
3k9fB-2q0xA:
undetectable
3k9fD-2q0xA:
3.0		 3k9fA-2q0xA:
23.06
3k9fB-2q0xA:
23.06
3k9fD-2q0xA:
20.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r3a HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV39H2

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		4 ARG A 181
GLY A 183
GLU A 177
GLU A 180
 None
 1.17A 3k9fA-2r3aA:
undetectable
3k9fB-2r3aA:
undetectable
3k9fD-2r3aA:
undetectable		 3k9fA-2r3aA:
19.60
3k9fB-2r3aA:
19.60
3k9fD-2r3aA:
20.43
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.
2vfv XYLITOL OXIDASE

(Streptomyces
coelicolor) 		PF01565
(FAD_binding_4)
PF04030
(ALO) 		4 SER A 132
ARG A 295
GLY A 124
GLU A 201
 None
 0.94A 3k9fA-2vfvA:
1.6
3k9fB-2vfvA:
1.6
3k9fD-2vfvA:
undetectable		 3k9fA-2vfvA:
23.13
3k9fB-2vfvA:
23.13
3k9fD-2vfvA:
21.08
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.
2wxu PHOSPHOLIPASE C

(Clostridium
perfringens) 		PF00882
(Zn_dep_PLPC)
PF01477
(PLAT) 		4 ARG A 238
ARG A  99
GLY A 349
GLU A 257
 None
 1.09A 3k9fA-2wxuA:
undetectable
3k9fB-2wxuA:
undetectable
3k9fD-2wxuA:
undetectable		 3k9fA-2wxuA:
20.73
3k9fB-2wxuA:
20.73
3k9fD-2wxuA:
24.30
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.
2zf3 HYPOTHETICAL PROTEIN
VIOE

(Chromobacterium
violaceum) 		no annotation 4 SER A 154
ARG A 126
GLY A 135
GLU A 165
 None
 1.16A 3k9fA-2zf3A:
undetectable
3k9fB-2zf3A:
undetectable
3k9fD-2zf3A:
undetectable		 3k9fA-2zf3A:
18.90
3k9fB-2zf3A:
18.90
3k9fD-2zf3A:
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.
3aeh HEMOGLOBIN-BINDING
PROTEASE HBP
AUTOTRANSPORTER

(Escherichia
coli) 		PF03797
(Autotransporter) 		4 ARG A1282
GLY A1281
GLU A1231
GLU A1249
 None
 1.12A 3k9fA-3aehA:
undetectable
3k9fB-3aehA:
undetectable
3k9fD-3aehA:
undetectable		 3k9fA-3aehA:
21.22
3k9fB-3aehA:
21.22
3k9fD-3aehA:
23.12
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.
3aty PROSTAGLANDIN F2A
SYNTHASE

(Trypanosoma
cruzi) 		PF00724
(Oxidored_FMN) 		5 ARG A 207
SER A 210
ARG A 249
GLY A 196
GLU A 193
 None
None
FMN  A 500 (-2.9A)
None
None
 1.49A 3k9fA-3atyA:
undetectable
3k9fB-3atyA:
undetectable
3k9fD-3atyA:
undetectable		 3k9fA-3atyA:
22.64
3k9fB-3atyA:
22.64
3k9fD-3atyA:
20.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c28 RECOMBINASE CRE

(Escherichia
virus P1) 		PF00589
(Phage_integrase) 		4 SER A  47
ARG A 259
GLU A 266
GLU A 262
 None
 1.17A 3k9fA-3c28A:
undetectable
3k9fB-3c28A:
undetectable
3k9fD-3c28A:
undetectable		 3k9fA-3c28A:
20.78
3k9fB-3c28A:
20.78
3k9fD-3c28A:
21.64
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.
3cbt PHOSPHATASE SC4828

(Streptomyces
coelicolor) 		PF04167
(DUF402) 		4 ARG A 110
GLY A 112
GLU A 197
GLU A 113
 ARG  A 110 (-0.6A)
GLY  A 112 ( 0.0A)
GLU  A 197 ( 0.6A)
GLU  A 113 (-0.5A)
 1.12A 3k9fA-3cbtA:
undetectable
3k9fB-3cbtA:
undetectable
3k9fD-3cbtA:
undetectable		 3k9fA-3cbtA:
17.64
3k9fB-3cbtA:
17.64
3k9fD-3cbtA:
18.32
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.
3cem GLYCOGEN
PHOSPHORYLASE, LIVER
FORM

(Homo sapiens) 		PF00343
(Phosphorylase) 		4 SER A 146
GLY A 809
GLU A 701
GLU A 702
 None
 1.12A 3k9fA-3cemA:
undetectable
3k9fB-3cemA:
undetectable
3k9fD-3cemA:
2.2		 3k9fA-3cemA:
21.00
3k9fB-3cemA:
21.00
3k9fD-3cemA:
16.08
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.
3e81 ACYLNEURAMINATE
CYTIDYLYLTRANSFERASE

(Bacteroides
thetaiotaomicron) 		PF08282
(Hydrolase_3) 		4 ARG A  64
ARG A 145
GLY A  39
GLU A 149
 None
 1.11A 3k9fA-3e81A:
undetectable
3k9fB-3e81A:
undetectable
3k9fD-3e81A:
undetectable		 3k9fA-3e81A:
17.07
3k9fB-3e81A:
17.07
3k9fD-3e81A:
19.93
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.
3fa5 PROTEIN OF UNKNOWN
FUNCTION (DUF849)

(Paracoccus
denitrificans) 		PF05853
(BKACE) 		4 SER A  38
ARG A 254
GLY A 253
GLU A 257
 None
 1.16A 3k9fA-3fa5A:
undetectable
3k9fB-3fa5A:
undetectable
3k9fD-3fa5A:
undetectable		 3k9fA-3fa5A:
21.44
3k9fB-3fa5A:
21.44
3k9fD-3fa5A:
22.60
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.
3gfb L-THREONINE
3-DEHYDROGENASE

(Thermococcus
kodakarensis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 ARG A 204
SER A 201
ARG A 336
GLU A 333
 NAD  A 500 (-2.6A)
None
None
None
 1.12A 3k9fA-3gfbA:
undetectable
3k9fB-3gfbA:
undetectable
3k9fD-3gfbA:
undetectable		 3k9fA-3gfbA:
22.31
3k9fB-3gfbA:
22.31
3k9fD-3gfbA:
21.73
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.
3ixw HEMOCYANIN AA6 CHAIN

(Androctonus
australis) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 ARG A 117
SER A 349
GLY A  86
GLU A  55
 None
 1.09A 3k9fA-3ixwA:
undetectable
3k9fB-3ixwA:
undetectable
3k9fD-3ixwA:
undetectable		 3k9fA-3ixwA:
22.41
3k9fB-3ixwA:
22.41
3k9fD-3ixwA:
17.98
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.
3k2g RESINIFERATOXIN-BIND
ING,
PHOSPHOTRIESTERASE-R
ELATED PROTEIN

(Rhodobacter
sphaeroides) 		PF02126
(PTE) 		4 ARG A 191
GLY A 192
GLU A 224
GLU A 225
 None
 1.10A 3k9fA-3k2gA:
undetectable
3k9fB-3k2gA:
undetectable
3k9fD-3k2gA:
undetectable		 3k9fA-3k2gA:
23.67
3k9fB-3k2gA:
23.67
3k9fD-3k2gA:
23.14
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.
3lrp ADP-RIBOSYLATION
FACTOR 1

(Plasmodium
falciparum) 		PF00025
(Arf) 		4 ARG A  75
GLY A  70
GLU A 105
GLU A 106
 None
 1.06A 3k9fA-3lrpA:
undetectable
3k9fB-3lrpA:
undetectable
3k9fD-3lrpA:
2.2		 3k9fA-3lrpA:
18.28
3k9fB-3lrpA:
18.28
3k9fD-3lrpA:
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.
3oa2 WBPB

(Pseudomonas
aeruginosa) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 SER A  79
ARG A  93
GLY A  91
GLU A 120
 None
 0.83A 3k9fA-3oa2A:
undetectable
3k9fB-3oa2A:
undetectable
3k9fD-3oa2A:
undetectable		 3k9fA-3oa2A:
21.46
3k9fB-3oa2A:
21.46
3k9fD-3oa2A:
24.13
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.
3ohm 1-PHOSPHATIDYLINOSIT
OL-4,5-BISPHOSPHATE
PHOSPHODIESTERASE
BETA-3

(Homo sapiens) 		PF00168
(C2)
PF00387
(PI-PLC-Y)
PF00388
(PI-PLC-X)
PF09279
(EF-hand_like) 		4 ARG B 223
SER B 734
GLY B 301
GLU B 303
 None
 0.96A 3k9fA-3ohmB:
2.1
3k9fB-3ohmB:
undetectable
3k9fD-3ohmB:
undetectable		 3k9fA-3ohmB:
19.96
3k9fB-3ohmB:
19.96
3k9fD-3ohmB:
15.09
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.
3oo3 OXY PROTEIN

(Actinoplanes
teichomyceticus) 		PF00067
(p450) 		4 ARG A 109
ARG A 102
GLY A 198
GLU A 206
 None
 1.15A 3k9fA-3oo3A:
undetectable
3k9fB-3oo3A:
undetectable
3k9fD-3oo3A:
undetectable		 3k9fA-3oo3A:
23.43
3k9fB-3oo3A:
23.43
3k9fD-3oo3A:
20.59
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.
3p4s FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT

(Escherichia
coli) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		4 ARG A 184
GLY A 420
GLU A 426
GLU A 422
 None
 0.94A 3k9fA-3p4sA:
undetectable
3k9fB-3p4sA:
undetectable
3k9fD-3p4sA:
undetectable		 3k9fA-3p4sA:
21.78
3k9fB-3p4sA:
21.78
3k9fD-3p4sA:
19.86
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.
3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS

(Aspergillus
oryzae) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 SER A  95
ARG A  25
GLY A  24
GLU A  28
 None
 1.09A 3k9fA-3q9tA:
undetectable
3k9fB-3q9tA:
undetectable
3k9fD-3q9tA:
undetectable		 3k9fA-3q9tA:
21.90
3k9fB-3q9tA:
21.90
3k9fD-3q9tA:
17.58
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.
3qky OUTER MEMBRANE
ASSEMBLY LIPOPROTEIN
YFIO

(Rhodothermus
marinus) 		PF13525
(YfiO) 		4 SER A 247
ARG A 175
GLY A 209
GLU A 178
 None
 0.99A 3k9fA-3qkyA:
undetectable
3k9fB-3qkyA:
undetectable
3k9fD-3qkyA:
undetectable		 3k9fA-3qkyA:
20.59
3k9fB-3qkyA:
20.59
3k9fD-3qkyA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qp5 CVIR TRANSCRIPTIONAL
REGULATOR

(Chromobacterium
violaceum) 		PF00196
(GerE)
PF03472
(Autoind_bind) 		4 SER A  79
ARG A 159
GLY A 138
GLU A 112
 None
 1.06A 3k9fA-3qp5A:
undetectable
3k9fB-3qp5A:
undetectable
3k9fD-3qp5A:
undetectable		 3k9fA-3qp5A:
18.64
3k9fB-3qp5A:
18.64
3k9fD-3qp5A:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3red HYDROXYNITRILE LYASE

(Prunus mume) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 SER A 107
ARG A 508
GLY A 507
GLU A  47
 None
 1.13A 3k9fA-3redA:
undetectable
3k9fB-3redA:
undetectable
3k9fD-3redA:
undetectable		 3k9fA-3redA:
19.65
3k9fB-3redA:
19.65
3k9fD-3redA:
17.68
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.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT J
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT K
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT N

(Escherichia
coli) 		no annotation 4 ARG K  85
ARG J 160
GLY J 159
GLU N 104
 None
 1.07A 3k9fA-3rkoK:
2.4
3k9fB-3rkoK:
2.4
3k9fD-3rkoK:
undetectable		 3k9fA-3rkoK:
13.13
3k9fB-3rkoK:
13.13
3k9fD-3rkoK:
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.
3rq1 AMINOTRANSFERASE
CLASS I AND II

(Veillonella
parvula) 		PF00155
(Aminotran_1_2) 		4 ARG A  95
ARG A 101
GLY A 273
GLU A 286
 None
 1.10A 3k9fA-3rq1A:
undetectable
3k9fB-3rq1A:
0.9
3k9fD-3rq1A:
1.9		 3k9fA-3rq1A:
24.27
3k9fB-3rq1A:
24.27
3k9fD-3rq1A:
20.05
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.
3tqu NON-CANONICAL PURINE
NTP PYROPHOSPHATASE

(Coxiella
burnetii) 		PF01725
(Ham1p_like) 		4 SER A  12
ARG A  98
GLY A 155
GLU A  97
 None
 0.92A 3k9fA-3tquA:
undetectable
3k9fB-3tquA:
undetectable
3k9fD-3tquA:
undetectable		 3k9fA-3tquA:
18.70
3k9fB-3tquA:
18.70
3k9fD-3tquA:
20.58
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.
3v8x TRANSFERRIN-BINDING
PROTEIN 1

(Neisseria
meningitidis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 SER A 464
GLY A 552
GLU A 263
GLU A 262
 None
 1.08A 3k9fA-3v8xA:
undetectable
3k9fB-3v8xA:
undetectable
3k9fD-3v8xA:
undetectable		 3k9fA-3v8xA:
20.07
3k9fB-3v8xA:
20.07
3k9fD-3v8xA:
15.53
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.
4ags THIOL-DEPENDENT
REDUCTASE 1

(Leishmania
infantum) 		PF13417
(GST_N_3)
PF16865
(GST_C_5) 		4 ARG A 245
SER A 294
GLY A 335
GLU A 351
 None
GSH  A1449 (-2.5A)
None
None
 1.01A 3k9fA-4agsA:
undetectable
3k9fB-4agsA:
undetectable
3k9fD-4agsA:
undetectable		 3k9fA-4agsA:
22.45
3k9fB-4agsA:
22.45
3k9fD-4agsA:
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.
4apq MOUSE NKT TCR
AUTOREACTIVE-VBETA6,
HUMAN NKT TCR
AUTOREACTIVE-VBETA6

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ARG D  68
SER D  54
GLY D  94
GLU D 105
 None
 0.90A 3k9fA-4apqD:
undetectable
3k9fB-4apqD:
undetectable
3k9fD-4apqD:
undetectable		 3k9fA-4apqD:
19.32
3k9fB-4apqD:
19.32
3k9fD-4apqD:
21.02
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.
4b46 CELL DIVISION
PROTEIN FTSZ

(Haloferax
volcanii) 		PF00091
(Tubulin) 		4 ARG A  62
GLY A  59
GLU A  77
GLU A  81
 None
 1.02A 3k9fA-4b46A:
undetectable
3k9fB-4b46A:
undetectable
3k9fD-4b46A:
4.6		 3k9fA-4b46A:
24.17
3k9fB-4b46A:
24.17
3k9fD-4b46A:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fqu PUTATIVE GLUTATHIONE
TRANSFERASE

(Sphingobium
chlorophenolicum) 		PF13409
(GST_N_2)
PF13410
(GST_C_2) 		4 SER A  98
ARG A  44
GLY A  43
GLU A  41
 None
 1.14A 3k9fA-4fquA:
undetectable
3k9fB-4fquA:
undetectable
3k9fD-4fquA:
undetectable		 3k9fA-4fquA:
22.31
3k9fB-4fquA:
22.31
3k9fD-4fquA:
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.
4g25 PENTATRICOPEPTIDE
REPEAT-CONTAINING
PROTEIN AT2G32230,
MITOCHONDRIAL

(Arabidopsis
thaliana) 		PF16953
(PRORP)
PF17177
(PPR_long) 		4 SER A 143
GLY A 215
GLU A 245
GLU A 248
 None
 1.16A 3k9fA-4g25A:
undetectable
3k9fB-4g25A:
undetectable
3k9fD-4g25A:
undetectable		 3k9fA-4g25A:
21.51
3k9fB-4g25A:
21.51
3k9fD-4g25A:
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.
4g56 HSL7 PROTEIN

(Xenopus laevis) 		PF05185
(PRMT5)
PF17285
(PRMT5_TIM)
PF17286
(PRMT5_C) 		4 ARG A 364
GLY A 365
GLU A 321
GLU A 324
 None
 0.99A 3k9fA-4g56A:
undetectable
3k9fB-4g56A:
undetectable
3k9fD-4g56A:
1.8		 3k9fA-4g56A:
21.40
3k9fB-4g56A:
21.40
3k9fD-4g56A:
18.13
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.
4gqb PROTEIN ARGININE
N-METHYLTRANSFERASE
5

(Homo sapiens) 		PF05185
(PRMT5)
PF17285
(PRMT5_TIM)
PF17286
(PRMT5_C) 		4 ARG A 368
GLY A 369
GLU A 325
GLU A 328
 None
 1.08A 3k9fA-4gqbA:
undetectable
3k9fB-4gqbA:
undetectable
3k9fD-4gqbA:
undetectable		 3k9fA-4gqbA:
21.12
3k9fB-4gqbA:
21.12
3k9fD-4gqbA:
17.31
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.
4h6y FERM, RHOGEF AND
PLECKSTRIN
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00169
(PH)
PF00621
(RhoGEF) 		4 ARG A 688
ARG A 698
GLU A1018
GLU A1022
 None
 1.16A 3k9fA-4h6yA:
undetectable
3k9fB-4h6yA:
undetectable
3k9fD-4h6yA:
undetectable		 3k9fA-4h6yA:
20.63
3k9fB-4h6yA:
20.63
3k9fD-4h6yA:
20.30
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.
4hoo LYSINE-SPECIFIC
DEMETHYLASE 4D

(Homo sapiens) 		PF02373
(JmjC)
PF02375
(JmjN) 		4 ARG A 243
SER A 308
GLY A 278
GLU A  39
 None
 0.94A 3k9fA-4hooA:
undetectable
3k9fB-4hooA:
undetectable
3k9fD-4hooA:
undetectable		 3k9fA-4hooA:
22.22
3k9fB-4hooA:
22.22
3k9fD-4hooA:
20.80
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.
4il5 CYSTEINE SYNTHASE

(Entamoeba
histolytica) 		PF00291
(PALP) 		4 SER A 308
GLY A 233
GLU A 219
GLU A 220
 LLP  A  58 ( 3.3A)
None
None
None
 1.14A 3k9fA-4il5A:
undetectable
3k9fB-4il5A:
undetectable
3k9fD-4il5A:
undetectable		 3k9fA-4il5A:
22.91
3k9fB-4il5A:
22.91
3k9fD-4il5A:
21.43
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.
4k6j WINGS APART-LIKE
PROTEIN HOMOLOG

(Homo sapiens) 		PF07814
(WAPL) 		4 SER A 884
GLY A 947
GLU A 993
GLU A 945
 None
 1.17A 3k9fA-4k6jA:
undetectable
3k9fB-4k6jA:
undetectable
3k9fD-4k6jA:
undetectable		 3k9fA-4k6jA:
21.78
3k9fB-4k6jA:
21.78
3k9fD-4k6jA:
17.96
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.
4n74 PREDICTED OUTER
MEMBRANE PROTEIN AND
SURFACE ANTIGEN

(Escherichia
coli) 		PF01103
(Bac_surface_Ag) 		4 ARG A 543
GLY A 574
GLU A 505
GLU A 576
 None
 1.16A 3k9fA-4n74A:
undetectable
3k9fB-4n74A:
undetectable
3k9fD-4n74A:
undetectable		 3k9fA-4n74A:
19.12
3k9fB-4n74A:
19.12
3k9fD-4n74A:
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.
4nen INTEGRIN ALPHA-X

(Homo sapiens) 		PF00092
(VWA)
PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		4 ARG A 552
GLY A 493
GLU A 528
GLU A 527
 None
 0.88A 3k9fA-4nenA:
undetectable
3k9fB-4nenA:
undetectable
3k9fD-4nenA:
2.3		 3k9fA-4nenA:
18.52
3k9fB-4nenA:
18.52
3k9fD-4nenA:
12.90
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.
4nur PSDSA

(Pseudomonas sp.
S9) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		4 SER A 267
ARG A 202
GLY A 203
GLU A 207
 None
 1.13A 3k9fA-4nurA:
undetectable
3k9fB-4nurA:
undetectable
3k9fD-4nurA:
undetectable		 3k9fA-4nurA:
22.05
3k9fB-4nurA:
22.05
3k9fD-4nurA:
17.08
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.
4o89 RNA 3'-TERMINAL
PHOSPHATE CYCLASE

(Pyrococcus
horikoshii) 		PF01137
(RTC)
PF05189
(RTC_insert) 		4 ARG A 154
GLY A 190
GLU A 241
GLU A 189
 None
 1.10A 3k9fA-4o89A:
2.2
3k9fB-4o89A:
2.3
3k9fD-4o89A:
undetectable		 3k9fA-4o89A:
23.31
3k9fB-4o89A:
23.31
3k9fD-4o89A:
23.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4plb CHIMERA PROTEIN OF
DNA GYRASE SUBUNITS
B AND A

(Staphylococcus
aureus) 		PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim) 		4 SER B1084
ARG B 458
GLY B 459
GLU B 477
 None
 0.98A 3k9fA-4plbB:
52.8
3k9fB-4plbB:
52.8
3k9fD-4plbB:
26.3		 3k9fA-4plbB:
32.71
3k9fB-4plbB:
32.71
3k9fD-4plbB:
19.73
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.
4pr7 OLIGOGALACTURONATE-S
PECIFIC PORIN KDGM

(Dickeya
dadantii) 		PF06178
(KdgM) 		4 SER A  75
ARG A 112
GLY A  79
GLU A  61
 None
ADA  A 309 ( 3.7A)
OCT  A 304 (-4.7A)
ADA  A 309 ( 4.9A)
 1.15A 3k9fA-4pr7A:
undetectable
3k9fB-4pr7A:
undetectable
3k9fD-4pr7A:
undetectable		 3k9fA-4pr7A:
19.11
3k9fB-4pr7A:
19.11
3k9fD-4pr7A:
20.63
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.
4qj4 1-PHOSPHATIDYLINOSIT
OL 4,5-BISPHOSPHATE
PHOSPHODIESTERASE
BETA-3

(Homo sapiens) 		PF00168
(C2)
PF00387
(PI-PLC-Y)
PF00388
(PI-PLC-X)
PF09279
(EF-hand_like) 		4 ARG B 223
SER B 734
GLY B 301
GLU B 303
 None
 1.02A 3k9fA-4qj4B:
2.5
3k9fB-4qj4B:
2.5
3k9fD-4qj4B:
undetectable		 3k9fA-4qj4B:
20.38
3k9fB-4qj4B:
20.38
3k9fD-4qj4B:
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.
4qvj VP1

(Norwalk virus) 		PF08435
(Calici_coat_C) 		4 ARG A 370
ARG A 287
GLY A 340
GLU A 337
 None
 1.08A 3k9fA-4qvjA:
undetectable
3k9fB-4qvjA:
undetectable
3k9fD-4qvjA:
undetectable		 3k9fA-4qvjA:
19.64
3k9fB-4qvjA:
19.64
3k9fD-4qvjA:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r3u 2-HYDROXYISOBUTYRYL-
COA MUTASE LARGE
SUBUNIT
2-HYDROXYISOBUTYRYL-
COA MUTASE SMALL
SUBUNIT

(Aquincola
tertiaricarbonis) 		PF01642
(MM_CoA_mutase)
PF02310
(B12-binding) 		4 ARG A 557
GLY C  14
GLU A 140
GLU A 136
 None
None
B12  C 800 ( 3.5A)
None
 1.13A 3k9fA-4r3uA:
1.8
3k9fB-4r3uA:
1.8
3k9fD-4r3uA:
2.0		 3k9fA-4r3uA:
24.29
3k9fB-4r3uA:
24.29
3k9fD-4r3uA:
19.22
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.
4rkm MCCA

(Wolinella
succinogenes) 		no annotation 4 SER A 107
GLY A  94
GLU A  62
GLU A  63
 None
 1.07A 3k9fA-4rkmA:
undetectable
3k9fB-4rkmA:
undetectable
3k9fD-4rkmA:
undetectable		 3k9fA-4rkmA:
21.52
3k9fB-4rkmA:
21.52
3k9fD-4rkmA:
17.08
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.
4rpc PUTATIVE ALPHA/BETA
HYDROLASE

(Desulfitobacterium
hafniense) 		PF12697
(Abhydrolase_6) 		4 SER A  93
ARG A 188
GLY A 122
GLU A 125
 None
 1.14A 3k9fA-4rpcA:
undetectable
3k9fB-4rpcA:
undetectable
3k9fD-4rpcA:
3.8		 3k9fA-4rpcA:
19.05
3k9fB-4rpcA:
19.05
3k9fD-4rpcA:
23.41
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.
4woe TAUROCYAMINE KINASE

(Schistosoma
mansoni) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		4 SER A 482
ARG A 589
GLU A 585
GLU A 584
 ADP  A 802 (-2.5A)
NO3  A 808 ( 3.0A)
3S5  A 804 ( 2.7A)
MG  A 805 (-3.6A)
 1.16A 3k9fA-4woeA:
2.4
3k9fB-4woeA:
2.4
3k9fD-4woeA:
undetectable		 3k9fA-4woeA:
20.35
3k9fB-4woeA:
20.35
3k9fD-4woeA:
17.13
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.
4z2a FURIN

(Homo sapiens) 		PF00082
(Peptidase_S8)
PF01483
(P_proprotein) 		4 SER A 150
ARG A 276
GLY A 277
GLU A 272
 None
 1.14A 3k9fA-4z2aA:
undetectable
3k9fB-4z2aA:
undetectable
3k9fD-4z2aA:
undetectable		 3k9fA-4z2aA:
21.28
3k9fB-4z2aA:
21.28
3k9fD-4z2aA:
20.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z37 PUTATIVE MIXED
POLYKETIDE
SYNTHASE/NON-RIBOSOM
AL PEPTIDE
SYNTHETASE

(Brevibacillus
brevis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 ARG A2331
GLY A2330
GLU A2417
GLU A2421
 None
 0.85A 3k9fA-4z37A:
undetectable
3k9fB-4z37A:
undetectable
3k9fD-4z37A:
undetectable		 3k9fA-4z37A:
23.95
3k9fB-4z37A:
23.95
3k9fD-4z37A:
16.92
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.
5ams RIBOSOME ASSEMBLY
PROTEIN SQT1

(Saccharomyces
cerevisiae) 		no annotation 4 SER A 424
GLY A  85
GLU A 156
GLU A 110
 None
 1.12A 3k9fA-5amsA:
undetectable
3k9fB-5amsA:
undetectable
3k9fD-5amsA:
undetectable		 3k9fA-5amsA:
21.68
3k9fB-5amsA:
21.68
3k9fD-5amsA:
20.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cdf ATP SYNTHASE SUBUNIT
BETA

(Paracoccus
denitrificans) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		4 ARG E 333
SER E 336
GLU E 183
GLU E 187
 None
 0.99A 3k9fA-5cdfE:
undetectable
3k9fB-5cdfE:
undetectable
3k9fD-5cdfE:
undetectable		 3k9fA-5cdfE:
21.56
3k9fB-5cdfE:
21.56
3k9fD-5cdfE:
20.25
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.
5dfa BETA-GALACTOSIDASE

(Geobacillus
stearothermophilus) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		4 ARG A 107
ARG A 120
GLY A 119
GLU A 371
 None
GOL  A 703 (-3.0A)
None
GOL  A 703 (-3.1A)
 1.11A 3k9fA-5dfaA:
undetectable
3k9fB-5dfaA:
undetectable
3k9fD-5dfaA:
undetectable		 3k9fA-5dfaA:
22.02
3k9fB-5dfaA:
22.02
3k9fD-5dfaA:
16.18
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.
5dmy BETA-GALACTOSIDASE

(Bifidobacterium
bifidum) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		4 SER A 493
ARG A 165
GLY A 451
GLU A 599
 None
 1.08A 3k9fA-5dmyA:
1.7
3k9fB-5dmyA:
undetectable
3k9fD-5dmyA:
undetectable		 3k9fA-5dmyA:
19.74
3k9fB-5dmyA:
19.74
3k9fD-5dmyA:
15.11
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.
5e9a BETA-GALACTOSIDASE

(Rahnella sp. R3) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		4 ARG A 105
ARG A 118
GLY A 117
GLU A 362
 None
ACT  A 702 (-3.2A)
None
ACT  A 702 (-3.0A)
 1.14A 3k9fA-5e9aA:
undetectable
3k9fB-5e9aA:
undetectable
3k9fD-5e9aA:
undetectable		 3k9fA-5e9aA:
22.66
3k9fB-5e9aA:
22.66
3k9fD-5e9aA:
17.53
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.
5es2 UNCHARACTERIZED
PROTEIN LPG0634

(Legionella
pneumophila) 		PF16848
(SoDot-IcmSS) 		4 ARG A 127
GLY A 128
GLU A 175
GLU A 171
 ACT  A 505 ( 4.9A)
None
None
None
 0.81A 3k9fA-5es2A:
undetectable
3k9fB-5es2A:
undetectable
3k9fD-5es2A:
undetectable		 3k9fA-5es2A:
20.65
3k9fB-5es2A:
20.65
3k9fD-5es2A:
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.
5f83 BETA-LACTAMASE

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		4 ARG A  87
GLY A  85
GLU A 136
GLU A  83
 None
 1.16A 3k9fA-5f83A:
undetectable
3k9fB-5f83A:
undetectable
3k9fD-5f83A:
undetectable		 3k9fA-5f83A:
19.51
3k9fB-5f83A:
19.51
3k9fD-5f83A:
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.
5ikp GLYCOGEN
PHOSPHORYLASE, BRAIN
FORM

(Homo sapiens) 		PF00343
(Phosphorylase) 		4 SER A 146
GLY A 809
GLU A 701
GLU A 702
 None
 0.94A 3k9fA-5ikpA:
undetectable
3k9fB-5ikpA:
undetectable
3k9fD-5ikpA:
1.2		 3k9fA-5ikpA:
20.98
3k9fB-5ikpA:
20.98
3k9fD-5ikpA:
15.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jy9 PUTATIVE SALICYLATE
SYNTHETASE

(Yersinia
enterocolitica) 		PF00425
(Chorismate_bind) 		4 ARG A  92
GLY A  46
GLU A 230
GLU A  31
 None
 0.97A 3k9fA-5jy9A:
1.0
3k9fB-5jy9A:
1.1
3k9fD-5jy9A:
undetectable		 3k9fA-5jy9A:
22.75
3k9fB-5jy9A:
22.75
3k9fD-5jy9A:
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.
5kiv PROTEIN-ADP-RIBOSE
HYDROLASE

(Staphylococcus
aureus) 		PF01661
(Macro) 		4 ARG A 134
ARG A  42
GLY A  43
GLU A  39
 None
 1.03A 3k9fA-5kivA:
undetectable
3k9fB-5kivA:
undetectable
3k9fD-5kivA:
2.0		 3k9fA-5kivA:
19.52
3k9fB-5kivA:
19.52
3k9fD-5kivA:
23.18
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.
5l0y SEC72-SSA1
C-TERMINAL PEPTIDE
FUSION PROTEIN

(Chaetomium
thermophilum;
Saccharomyces
cerevisiae) 		no annotation 4 SER A 127
ARG A 183
GLY A 184
GLU A 179
 None
 1.00A 3k9fA-5l0yA:
undetectable
3k9fB-5l0yA:
undetectable
3k9fD-5l0yA:
undetectable		 3k9fA-5l0yA:
16.12
3k9fB-5l0yA:
16.12
3k9fD-5l0yA:
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.
5ly9 VARIANT SURFACE
GLYCOPROTEIN MITAT
1.1

(Trypanosoma
brucei) 		PF00913
(Trypan_glycop) 		4 SER A 104
ARG A 253
GLU A  27
GLU A 256
 None
 1.02A 3k9fA-5ly9A:
1.2
3k9fB-5ly9A:
1.2
3k9fD-5ly9A:
undetectable		 3k9fA-5ly9A:
20.28
3k9fB-5ly9A:
20.28
3k9fD-5ly9A:
22.73
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.
5mdn DNA POLYMERASE

(Pyrobaculum
calidifontis) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		4 ARG A 164
ARG A  29
GLY A  28
GLU A  27
 None
 1.14A 3k9fA-5mdnA:
undetectable
3k9fB-5mdnA:
undetectable
3k9fD-5mdnA:
undetectable		 3k9fA-5mdnA:
21.43
3k9fB-5mdnA:
21.43
3k9fD-5mdnA:
16.26
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.
5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE

(Homo sapiens) 		no annotation 4 SER A 599
ARG A 608
GLY A 605
GLU A 196
 None
 1.04A 3k9fA-5nn8A:
undetectable
3k9fB-5nn8A:
undetectable
3k9fD-5nn8A:
undetectable		 3k9fA-5nn8A:
18.22
3k9fB-5nn8A:
18.22
3k9fD-5nn8A:
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.
5ujs UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Campylobacter
jejuni) 		PF00275
(EPSP_synthase) 		4 ARG A 121
GLY A 164
GLU A 189
GLU A 166
 None
 1.06A 3k9fA-5ujsA:
undetectable
3k9fB-5ujsA:
undetectable
3k9fD-5ujsA:
undetectable		 3k9fA-5ujsA:
22.75
3k9fB-5ujsA:
22.75
3k9fD-5ujsA:
24.73
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.
5uz9 CRISPR-ASSOCIATED
PROTEIN CSY2

(Pseudomonas
aeruginosa) 		PF09614
(Cas_Csy2) 		4 ARG B 315
ARG B 189
GLY B 287
GLU B 288
 None
 1.03A 3k9fA-5uz9B:
1.9
3k9fB-5uz9B:
1.9
3k9fD-5uz9B:
undetectable		 3k9fA-5uz9B:
22.29
3k9fB-5uz9B:
22.29
3k9fD-5uz9B:
21.41
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.
6cc0 LUXR FAMILY
TRANSCRIPTIONAL
REGULATOR

(Pseudomonas
aeruginosa) 		no annotation 4 SER A  38
ARG A 111
GLY A  92
GLU A  93
 EWM  A 301 (-2.7A)
None
None
None
 1.07A 3k9fA-6cc0A:
undetectable
3k9fB-6cc0A:
undetectable
3k9fD-6cc0A:
undetectable		 3k9fA-6cc0A:
9.48
3k9fB-6cc0A:
9.48
3k9fD-6cc0A:
15.00
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.
6dll P-HYDROXYBENZOATE
HYDROXYLASE

(Pseudomonas
putida) 		no annotation 4 ARG A 214
ARG A  42
GLY A  41
GLU A  32
 None
FAD  A 401 (-2.9A)
None
FAD  A 401 (-2.7A)
 1.09A 3k9fA-6dllA:
undetectable
3k9fB-6dllA:
undetectable
3k9fD-6dllA:
undetectable		 3k9fA-6dllA:
10.51
3k9fB-6dllA:
10.51
3k9fD-6dllA:
17.06
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.
6fea NITROGENASE PROTEIN
ALPHA CHAIN

(Azotobacter
vinelandii) 		no annotation 4 SER A  45
ARG A 259
GLY A 337
GLU A 366
 None
None
CO3  A 503 (-3.7A)
None
 1.11A 3k9fA-6feaA:
undetectable
3k9fB-6feaA:
undetectable
3k9fD-6feaA:
3.6		 3k9fA-6feaA:
10.91
3k9fB-6feaA:
10.91
3k9fD-6feaA:
15.65