SIMILAR PATTERNS OF AMINO ACIDS FOR 5KKZ_E_ASCE1004

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.
1dgr CANAVALIN
CANAVALIN

(Canavalia
ensiformis;
Canavalia
ensiformis) 		no annotation
no annotation 		4 HIS X 297
ILE Y 348
VAL X 304
ARG Y 376
 PO4  X1500 (-4.1A)
PO4  X1500 ( 4.2A)
PO4  X1500 ( 4.8A)
PO4  X1500 (-3.7A)
 1.21A 5kkzC-1dgrX:
0.0
5kkzE-1dgrX:
undetectable		 5kkzC-1dgrX:
15.85
5kkzE-1dgrX:
12.43
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.
1ee0 2-PYRONE SYNTHASE

(Gerbera hybrid
cultivar) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		4 HIS A 308
ILE A 350
VAL A 307
ARG A 333
 None
 1.15A 5kkzC-1ee0A:
0.0
5kkzE-1ee0A:
undetectable		 5kkzC-1ee0A:
18.25
5kkzE-1ee0A:
21.68
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.
1gzc ERYTHRINA
CRISTA-GALLI LECTIN

(Erythrina
crista-galli) 		PF00139
(Lectin_legB) 		4 ILE A 197
VAL A 198
TYR A 172
GLN A 202
 None
 1.01A 5kkzC-1gzcA:
0.5
5kkzE-1gzcA:
undetectable		 5kkzC-1gzcA:
21.86
5kkzE-1gzcA:
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.
1l2q MONOMETHYLAMINE
METHYLTRANSFERASE

(Methanosarcina
barkeri) 		PF05369
(MtmB) 		4 HIS A 294
ILE A 283
TYR A  86
GLN A 232
 None
 1.28A 5kkzC-1l2qA:
0.0
5kkzE-1l2qA:
undetectable		 5kkzC-1l2qA:
18.91
5kkzE-1l2qA:
20.68
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.
1mhc MHC CLASS I ANTIGEN
H2-M3

(Mus musculus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		4 HIS A   9
VAL A  67
TYR A  22
GLN A  34
 None
 1.08A 5kkzC-1mhcA:
0.0
5kkzE-1mhcA:
undetectable		 5kkzC-1mhcA:
20.69
5kkzE-1mhcA:
19.03
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.
1o70 FASCICLIN I

(Drosophila
melanogaster) 		PF02469
(Fasciclin) 		4 HIS A 543
HIS A 610
ILE A 612
VAL A 611
 None
 1.11A 5kkzC-1o70A:
0.0
5kkzE-1o70A:
undetectable		 5kkzC-1o70A:
20.87
5kkzE-1o70A:
21.93
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.
1od6 PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE

(Thermus
thermophilus) 		PF01467
(CTP_transf_like) 		4 HIS A   2
VAL A  78
TYR A 110
GLN A  84
 None
None
SO4  A1164 (-4.1A)
None
 1.29A 5kkzC-1od6A:
0.0
5kkzE-1od6A:
undetectable		 5kkzC-1od6A:
24.14
5kkzE-1od6A:
19.05
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.
1urt CARBONIC ANHYDRASE V

(Mus musculus) 		PF00194
(Carb_anhydrase) 		4 HIS A 122
HIS A 119
ILE A 144
TYR A  51
 None
ZN  A 280 (-3.2A)
None
None
 1.25A 5kkzC-1urtA:
0.0
5kkzE-1urtA:
undetectable		 5kkzC-1urtA:
20.46
5kkzE-1urtA:
21.03
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.
1xkg MAJOR MITE FECAL
ALLERGEN DER P 1

(Dermatophagoides
pteronyssinus) 		PF00112
(Peptidase_C1) 		4 HIS A 250
ILE A 221
VAL A 220
TYR A 298
 None
 1.28A 5kkzC-1xkgA:
undetectable
5kkzE-1xkgA:
undetectable		 5kkzC-1xkgA:
19.75
5kkzE-1xkgA:
17.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y4u CHAPERONE PROTEIN
HTPG

(Escherichia
coli) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		4 ILE A 455
VAL A 457
TYR A 419
GLN A 481
 None
 1.02A 5kkzC-1y4uA:
undetectable
5kkzE-1y4uA:
undetectable		 5kkzC-1y4uA:
14.37
5kkzE-1y4uA:
21.61
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.
1yj8 GLYCEROL-3-PHOSPHATE
DEHYDROGENASE

(Plasmodium
falciparum) 		PF01210
(NAD_Gly3P_dh_N)
PF07479
(NAD_Gly3P_dh_C) 		4 HIS A 331
ILE A 333
VAL A 329
GLN A 150
 None
 1.15A 5kkzC-1yj8A:
undetectable
5kkzE-1yj8A:
undetectable		 5kkzC-1yj8A:
19.95
5kkzE-1yj8A:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z26 ARGONAUTE

(Pyrococcus
furiosus) 		PF02171
(Piwi)
PF12212
(PAZ_siRNAbind) 		4 ILE A 145
VAL A 128
ARG A 111
GLN A 148
 WO4  A 773 (-3.8A)
None
None
None
 1.21A 5kkzC-1z26A:
undetectable
5kkzE-1z26A:
undetectable		 5kkzC-1z26A:
12.26
5kkzE-1z26A:
18.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zao RIO2 SERINE KINASE

(Archaeoglobus
fulgidus) 		PF01163
(RIO1)
PF09202
(Rio2_N) 		4 HIS A 216
ILE A 214
VAL A 215
GLN A 238
 None
 0.94A 5kkzC-1zaoA:
undetectable
5kkzE-1zaoA:
undetectable		 5kkzC-1zaoA:
20.21
5kkzE-1zaoA:
20.62
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.
1zp6 HYPOTHETICAL PROTEIN
ATU3015

(Agrobacterium
fabrum) 		PF13238
(AAA_18) 		4 HIS A 141
ILE A 120
VAL A 137
ARG A 126
 None
None
None
SO4  A 201 (-3.3A)
 1.30A 5kkzC-1zp6A:
undetectable
5kkzE-1zp6A:
undetectable		 5kkzC-1zp6A:
22.77
5kkzE-1zp6A:
18.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zrt CYTOCHROME B

(Rhodobacter
capsulatus) 		PF00032
(Cytochrom_B_C)
PF00033
(Cytochrome_B) 		5 HIS C 291
ILE C 292
VAL C 293
TYR C 302
ARG C 306
 None
SMA  C 503 ( 4.5A)
None
SMA  C 503 (-4.2A)
None
 0.91A 5kkzC-1zrtC:
undetectable
5kkzE-1zrtC:
51.1		 5kkzC-1zrtC:
15.63
5kkzE-1zrtC:
82.47
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.
2a5h L-LYSINE
2,3-AMINOMUTASE

(Clostridium
subterminale) 		PF04055
(Radical_SAM)
PF12544
(LAM_C) 		4 HIS A 230
VAL A 206
TYR A  62
GLN A  79
 SAM  A 417 ( 3.6A)
None
None
None
 1.14A 5kkzC-2a5hA:
undetectable
5kkzE-2a5hA:
undetectable		 5kkzC-2a5hA:
19.06
5kkzE-2a5hA:
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.
2a6p POSSIBLE
PHOSPHOGLYCERATE
MUTASE GPM2

(Mycobacterium
tuberculosis) 		PF00300
(His_Phos_1) 		4 HIS A 136
ILE A  58
VAL A  57
ARG A 140
 None
 1.22A 5kkzC-2a6pA:
undetectable
5kkzE-2a6pA:
undetectable		 5kkzC-2a6pA:
24.26
5kkzE-2a6pA:
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.
2bi0 HYPOTHETICAL PROTEIN
RV0216

(Mycobacterium
tuberculosis) 		no annotation 4 HIS A 279
HIS A 252
ILE A 254
TYR A  94
 None
 1.26A 5kkzC-2bi0A:
undetectable
5kkzE-2bi0A:
undetectable		 5kkzC-2bi0A:
20.32
5kkzE-2bi0A:
22.80
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.
2bun APPA

(Rhodobacter
sphaeroides) 		PF04940
(BLUF) 		4 HIS A  44
HIS A  68
VAL A  72
GLN A  49
 FAD  A1126 (-3.3A)
None
None
None
 1.29A 5kkzC-2bunA:
undetectable
5kkzE-2bunA:
undetectable		 5kkzC-2bunA:
17.65
5kkzE-2bunA:
15.44
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.
2cav PROTEIN (CANAVALIN)

(Canavalia
ensiformis) 		PF00190
(Cupin_1) 		4 HIS A 297
ILE A 348
VAL A 304
ARG A 376
 None
 1.18A 5kkzC-2cavA:
0.6
5kkzE-2cavA:
undetectable		 5kkzC-2cavA:
17.09
5kkzE-2cavA:
19.88
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.
2dtc RAL GUANINE
NUCLEOTIDE EXCHANGE
FACTOR RALGPS1A

(Mus musculus) 		PF00169
(PH) 		4 ILE A  62
VAL A  60
TYR A  38
ARG A   9
 None
 0.86A 5kkzC-2dtcA:
undetectable
5kkzE-2dtcA:
undetectable		 5kkzC-2dtcA:
19.68
5kkzE-2dtcA:
12.93
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.
2fmr FMR1 PROTEIN

(Homo sapiens) 		PF00013
(KH_1) 		4 HIS A   5
ILE A  49
VAL A  57
ARG A  61
 None
 1.00A 5kkzC-2fmrA:
undetectable
5kkzE-2fmrA:
undetectable		 5kkzC-2fmrA:
16.58
5kkzE-2fmrA:
10.87
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.
2it4 CARBONIC ANHYDRASE 1

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		4 HIS A 122
HIS A 119
ILE A 144
TYR A  51
 None
ZN  A 561 ( 3.1A)
None
None
 1.20A 5kkzC-2it4A:
undetectable
5kkzE-2it4A:
undetectable		 5kkzC-2it4A:
20.08
5kkzE-2it4A:
21.25
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.
2qjp CYTOCHROME B

(Rhodobacter
sphaeroides) 		PF00032
(Cytochrom_B_C)
PF00033
(Cytochrome_B) 		5 HIS A 291
ILE A 292
VAL A 293
TYR A 302
ARG A 306
 None
SMA  A   1 ( 4.7A)
None
SMA  A   1 (-4.4A)
None
 0.46A 5kkzC-2qjpA:
undetectable
5kkzE-2qjpA:
57.4		 5kkzC-2qjpA:
16.78
5kkzE-2qjpA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vxo GMP SYNTHASE
[GLUTAMINE-HYDROLYZI
NG]

(Homo sapiens) 		PF00117
(GATase)
PF00958
(GMP_synt_C)
PF02540
(NAD_synthase) 		4 HIS A 119
ILE A 173
VAL A 174
GLN A 108
 None
 1.18A 5kkzC-2vxoA:
undetectable
5kkzE-2vxoA:
undetectable		 5kkzC-2vxoA:
14.84
5kkzE-2vxoA:
22.07
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.
2w57 FERRIC UPTAKE
REGULATION PROTEIN

(Vibrio cholerae) 		PF01475
(FUR) 		4 HIS A  88
ILE A 100
VAL A  99
GLN A  32
 ZN  A 202 (-3.2A)
None
None
None
 1.01A 5kkzC-2w57A:
undetectable
5kkzE-2w57A:
undetectable		 5kkzC-2w57A:
22.45
5kkzE-2w57A:
15.68
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.
2wb7 PT26-6P

(Thermococcus
sp. 26-2) 		no annotation 4 HIS A 421
HIS A 499
TYR A 400
GLN A 650
 None
 1.15A 5kkzC-2wb7A:
0.3
5kkzE-2wb7A:
0.0		 5kkzC-2wb7A:
15.66
5kkzE-2wb7A:
21.63
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.
2yiu CYTOCHROME B

(Paracoccus
denitrificans) 		PF00032
(Cytochrom_B_C)
PF00033
(Cytochrome_B) 		5 HIS A 291
ILE A 292
VAL A 293
TYR A 302
ARG A 306
 None
SMA  A 502 (-4.6A)
None
SMA  A 502 (-4.5A)
None
 0.41A 5kkzC-2yiuA:
undetectable
5kkzE-2yiuA:
57.0		 5kkzC-2yiuA:
18.16
5kkzE-2yiuA:
83.37
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.
2z6k REPLICATION PROTEIN
A 32 KDA SUBUNIT

(Homo sapiens) 		PF08784
(RPA_C) 		4 HIS A 131
HIS A  45
ILE A  46
GLN A  44
 None
 1.30A 5kkzC-2z6kA:
undetectable
5kkzE-2z6kA:
undetectable		 5kkzC-2z6kA:
21.74
5kkzE-2z6kA:
19.64
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.
2zbk TYPE 2 DNA
TOPOISOMERASE 6
SUBUNIT B

(Sulfolobus
shibatae) 		PF02518
(HATPase_c)
PF09239
(Topo-VIb_trans) 		4 HIS B 348
VAL B 236
TYR B  99
GLN B 263
 None
 1.16A 5kkzC-2zbkB:
undetectable
5kkzE-2zbkB:
undetectable		 5kkzC-2zbkB:
16.50
5kkzE-2zbkB:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zq5 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Mycobacterium
tuberculosis) 		PF13469
(Sulfotransfer_3) 		4 HIS A 117
HIS A 108
ILE A  94
TYR A 332
 None
 1.25A 5kkzC-2zq5A:
undetectable
5kkzE-2zq5A:
undetectable		 5kkzC-2zq5A:
20.50
5kkzE-2zq5A:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c7o ENDO-1,4-BETA-XYLANA
SE

(Bacillus
subtilis) 		PF03422
(CBM_6)
PF04616
(Glyco_hydro_43) 		4 HIS A  20
ILE A  65
VAL A  64
GLN A 384
 None
 1.25A 5kkzC-3c7oA:
0.7
5kkzE-3c7oA:
undetectable		 5kkzC-3c7oA:
18.59
5kkzE-3c7oA:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ed0 (3R)-HYDROXYMYRISTOY
L-ACYL CARRIER
PROTEIN DEHYDRATASE

(Helicobacter
pylori) 		PF07977
(FabA) 		4 HIS A  16
ILE A  14
ARG A  24
GLN A  19
 None
 1.10A 5kkzC-3ed0A:
undetectable
5kkzE-3ed0A:
undetectable		 5kkzC-3ed0A:
18.28
5kkzE-3ed0A:
16.07
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.
3gm8 GLYCOSIDE HYDROLASE
FAMILY 2, CANDIDATE
BETA-GLYCOSIDASE

(Bacteroides
vulgatus) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		4 HIS A  57
HIS A 152
VAL A 150
TYR A  86
 None
 1.19A 5kkzC-3gm8A:
undetectable
5kkzE-3gm8A:
undetectable		 5kkzC-3gm8A:
13.11
5kkzE-3gm8A:
18.87
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.
3h1l CYTOCHROME B

(Gallus gallus) 		PF00032
(Cytochrom_B_C)
PF00033
(Cytochrome_B) 		4 HIS C 268
ILE C 269
TYR C 279
ARG C 283
 None
None
3H1  C2001 (-4.2A)
None
 0.89A 5kkzC-3h1lC:
undetectable
5kkzE-3h1lC:
48.7		 5kkzC-3h1lC:
16.71
5kkzE-3h1lC:
44.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hr4 NITRIC OXIDE
SYNTHASE, INDUCIBLE

(Homo sapiens) 		PF00258
(Flavodoxin_1) 		4 HIS A 639
VAL A 623
TYR A 621
GLN A 643
 None
 1.28A 5kkzC-3hr4A:
undetectable
5kkzE-3hr4A:
undetectable		 5kkzC-3hr4A:
18.67
5kkzE-3hr4A:
18.20
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.
3iiw POLYCOMB PROTEIN EED

(Homo sapiens) 		PF00400
(WD40) 		4 HIS A 189
HIS A 185
ILE A 172
ARG A 216
 None
 1.12A 5kkzC-3iiwA:
1.0
5kkzE-3iiwA:
undetectable		 5kkzC-3iiwA:
18.21
5kkzE-3iiwA:
20.67
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.
3ipw HYDROLASE TATD
FAMILY PROTEIN

(Entamoeba
histolytica) 		PF01026
(TatD_DNase) 		4 HIS A  81
ILE A 114
VAL A  80
GLN A 129
 None
 1.25A 5kkzC-3ipwA:
undetectable
5kkzE-3ipwA:
undetectable		 5kkzC-3ipwA:
19.76
5kkzE-3ipwA:
19.15
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.
3j0h PHIKZ029

(Pseudomonas
virus phiKZ) 		no annotation 4 ILE A 248
VAL A 249
TYR A 285
GLN A 254
 None
 1.25A 5kkzC-3j0hA:
undetectable
5kkzE-3j0hA:
undetectable		 5kkzC-3j0hA:
22.11
5kkzE-3j0hA:
23.54
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.
3jav INOSITOL
1,4,5-TRISPHOSPHATE
RECEPTOR TYPE 1

(Rattus
norvegicus) 		PF00520
(Ion_trans)
PF01365
(RYDR_ITPR)
PF02815
(MIR)
PF08454
(RIH_assoc)
PF08709
(Ins145_P3_rec) 		4 ILE A 178
VAL A 177
TYR A 117
ARG A 170
 None
 1.19A 5kkzC-3javA:
undetectable
5kkzE-3javA:
3.3		 5kkzC-3javA:
5.04
5kkzE-3javA:
9.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k7y ASPARTATE
AMINOTRANSFERASE

(Plasmodium
falciparum) 		PF00155
(Aminotran_1_2) 		4 HIS A 262
ILE A 263
VAL A 264
GLN A  82
 None
 1.13A 5kkzC-3k7yA:
undetectable
5kkzE-3k7yA:
undetectable		 5kkzC-3k7yA:
13.76
5kkzE-3k7yA:
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.
3kxp ALPHA-(N-ACETYLAMINO
METHYLENE)SUCCINIC
ACID HYDROLASE

(Mesorhizobium
loti) 		PF12697
(Abhydrolase_6) 		4 HIS A  69
HIS A 105
ILE A  41
TYR A  84
 None
None
CL  A 279 (-3.7A)
None
 1.23A 5kkzC-3kxpA:
undetectable
5kkzE-3kxpA:
undetectable		 5kkzC-3kxpA:
22.29
5kkzE-3kxpA:
23.06
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.
3lm5 SERINE/THREONINE-PRO
TEIN KINASE 17B

(Homo sapiens) 		PF00069
(Pkinase) 		4 HIS A  79
HIS A 156
ILE A 154
VAL A 155
 None
 1.01A 5kkzC-3lm5A:
undetectable
5kkzE-3lm5A:
undetectable		 5kkzC-3lm5A:
20.18
5kkzE-3lm5A:
21.56
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.
3lqb LOC792177 PROTEIN

(Danio rerio) 		PF01400
(Astacin) 		4 ILE A 172
VAL A 120
TYR A 149
GLN A 118
 None
 1.21A 5kkzC-3lqbA:
undetectable
5kkzE-3lqbA:
undetectable		 5kkzC-3lqbA:
22.12
5kkzE-3lqbA:
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.
3ma6 CALMODULIN-DOMAIN
PROTEIN KINASE 1

(Toxoplasma
gondii) 		PF00069
(Pkinase) 		4 HIS A 184
HIS A 155
ILE A 153
VAL A 154
 None
 1.03A 5kkzC-3ma6A:
undetectable
5kkzE-3ma6A:
undetectable		 5kkzC-3ma6A:
22.30
5kkzE-3ma6A:
20.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nqh GLYCOSYL HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF04616
(Glyco_hydro_43) 		4 HIS A  44
ILE A  40
VAL A  41
TYR A 295
 None
 1.18A 5kkzC-3nqhA:
0.7
5kkzE-3nqhA:
undetectable		 5kkzC-3nqhA:
14.22
5kkzE-3nqhA:
21.17
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.
3ntu DNA REPAIR AND
RECOMBINATION
PROTEIN RADA

(Methanococcus
voltae) 		PF08423
(Rad51)
PF14520
(HHH_5) 		4 HIS A 276
ILE A 277
VAL A 278
ARG A 230
 None
 1.30A 5kkzC-3ntuA:
undetectable
5kkzE-3ntuA:
undetectable		 5kkzC-3ntuA:
22.19
5kkzE-3ntuA:
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.
3nur AMIDOHYDROLASE

(Staphylococcus
aureus) 		PF04909
(Amidohydro_2) 		4 HIS A 231
HIS A 192
ILE A 161
ARG A 164
 None
CA  A 358 (-3.5A)
None
None
 0.99A 5kkzC-3nurA:
undetectable
5kkzE-3nurA:
undetectable		 5kkzC-3nurA:
20.96
5kkzE-3nurA:
23.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nyo G PROTEIN-COUPLED
RECEPTOR KINASE 6

(Homo sapiens) 		PF00069
(Pkinase)
PF00615
(RGS) 		4 HIS A 303
HIS A 335
ILE A 307
VAL A 334
 None
 1.23A 5kkzC-3nyoA:
undetectable
5kkzE-3nyoA:
undetectable		 5kkzC-3nyoA:
16.20
5kkzE-3nyoA:
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.
3oa2 WBPB

(Pseudomonas
aeruginosa) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 HIS A 133
HIS A 188
ILE A 128
TYR A 279
 None
 1.15A 5kkzC-3oa2A:
undetectable
5kkzE-3oa2A:
undetectable		 5kkzC-3oa2A:
20.65
5kkzE-3oa2A:
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.
3on4 TRANSCRIPTIONAL
REGULATOR, TETR
FAMILY

(Legionella
pneumophila) 		PF00440
(TetR_N) 		4 HIS A  62
ILE A  59
VAL A  58
GLN A  21
 None
 1.23A 5kkzC-3on4A:
undetectable
5kkzE-3on4A:
undetectable		 5kkzC-3on4A:
23.53
5kkzE-3on4A:
16.86
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.
3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT

(Komagataella
pastoris) 		PF00365
(PFK) 		4 HIS A 864
VAL A 865
TYR A 751
GLN A 772
 SO4  A 994 (-3.9A)
None
None
None
 1.18A 5kkzC-3opyA:
undetectable
5kkzE-3opyA:
undetectable		 5kkzC-3opyA:
10.66
5kkzE-3opyA:
18.87
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.
3pfm GGDEF DOMAIN PROTEIN

(Pseudomonas
protegens) 		PF00563
(EAL) 		4 HIS A 444
ILE A 615
VAL A 636
GLN A 431
 None
 1.24A 5kkzC-3pfmA:
undetectable
5kkzE-3pfmA:
undetectable		 5kkzC-3pfmA:
21.65
5kkzE-3pfmA:
20.27
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.
3rvx PEPTIDASE 1

(Dermatophagoides
pteronyssinus) 		PF00112
(Peptidase_C1) 		4 HIS A 170
ILE A 141
VAL A 140
TYR A 218
 None
 1.23A 5kkzC-3rvxA:
0.3
5kkzE-3rvxA:
undetectable		 5kkzC-3rvxA:
20.61
5kkzE-3rvxA:
18.12
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.
3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1

(Toxoplasma
gondii) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		4 HIS A 201
HIS A 172
ILE A 170
VAL A 171
 None
 0.99A 5kkzC-3sxfA:
undetectable
5kkzE-3sxfA:
undetectable		 5kkzC-3sxfA:
17.18
5kkzE-3sxfA:
21.39
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.
3tqd 3-DEOXY-MANNO-OCTULO
SONATE
CYTIDYLYLTRANSFERASE

(Coxiella
burnetii) 		PF02348
(CTP_transf_3) 		4 HIS A 183
HIS A 224
ILE A 223
TYR A 187
 None
 1.16A 5kkzC-3tqdA:
undetectable
5kkzE-3tqdA:
undetectable		 5kkzC-3tqdA:
22.63
5kkzE-3tqdA:
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.
3voh CELLOBIOHYDROLASE

(Coprinopsis
cinerea) 		PF01341
(Glyco_hydro_6) 		4 ILE A 347
VAL A 357
TYR A 421
ARG A 341
 None
 1.19A 5kkzC-3vohA:
undetectable
5kkzE-3vohA:
undetectable		 5kkzC-3vohA:
21.33
5kkzE-3vohA:
22.86
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.
3wd8 TYPE III POLYKETIDE
SYNTHASE QUINOLONE
SYNTHASE

(Citrus x
microcarpa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		4 HIS A 303
ILE A 345
VAL A 302
ARG A 328
 None
 1.18A 5kkzC-3wd8A:
undetectable
5kkzE-3wd8A:
undetectable		 5kkzC-3wd8A:
19.35
5kkzE-3wd8A:
24.02
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.
3wqy ALANINE--TRNA LIGASE

(Archaeoglobus
fulgidus) 		PF01411
(tRNA-synt_2c)
PF02272
(DHHA1)
PF07973
(tRNA_SAD) 		4 HIS A 452
ILE A 454
TYR A 419
ARG A 371
 U  C1605 ( 4.4A)
None
None
U  C1670 ( 4.0A)
 1.13A 5kkzC-3wqyA:
undetectable
5kkzE-3wqyA:
undetectable		 5kkzC-3wqyA:
12.67
5kkzE-3wqyA:
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.
3x17 ENDOGLUCANASE

(uncultured
bacterium) 		no annotation 4 HIS B 263
ILE B 288
VAL B 261
GLN B 291
 None
 1.10A 5kkzC-3x17B:
undetectable
5kkzE-3x17B:
undetectable		 5kkzC-3x17B:
15.45
5kkzE-3x17B:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ap8 MOLYBDOPTERIN
SYNTHASE CATALYTIC
SUBUNIT

(Homo sapiens) 		PF02391
(MoaE) 		4 HIS A 118
ILE A 119
VAL A  46
ARG A 104
 None
 1.30A 5kkzC-4ap8A:
undetectable
5kkzE-4ap8A:
undetectable		 5kkzC-4ap8A:
22.11
5kkzE-4ap8A:
15.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e2u PHO RADA INTEIN

(Pyrococcus
horikoshii) 		PF14890
(Intein_splicing) 		4 HIS A 160
ILE A 156
VAL A 155
ARG A  64
 None
 1.17A 5kkzC-4e2uA:
undetectable
5kkzE-4e2uA:
undetectable		 5kkzC-4e2uA:
22.22
5kkzE-4e2uA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1

(Homo sapiens) 		PF00069
(Pkinase) 		4 HIS A 133
ILE A 131
VAL A 132
ARG A  54
 None
 1.22A 5kkzC-4eutA:
undetectable
5kkzE-4eutA:
undetectable		 5kkzC-4eutA:
18.59
5kkzE-4eutA:
23.42
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.
4g0j NON-STRUCTURAL
PROTEIN 2

(Rotavirus A) 		PF02509
(Rota_NS35) 		4 HIS A 174
ILE A 116
VAL A 115
GLN A 175
 None
 1.03A 5kkzC-4g0jA:
undetectable
5kkzE-4g0jA:
undetectable		 5kkzC-4g0jA:
19.31
5kkzE-4g0jA:
19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g10 GLUTATHIONE
S-TRANSFERASE
HOMOLOG

(Sphingomonas
paucimobilis) 		PF13417
(GST_N_3)
PF16865
(GST_C_5) 		4 HIS A  11
ILE A  12
TYR A 214
ARG A 170
 None
GSH  A 300 (-3.3A)
ACT  A 301 (-4.5A)
None
 1.25A 5kkzC-4g10A:
undetectable
5kkzE-4g10A:
undetectable		 5kkzC-4g10A:
20.15
5kkzE-4g10A:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hkm ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE

(Xanthomonas
campestris) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N) 		4 ILE A 135
VAL A 134
TYR A 334
GLN A 141
 None
 1.19A 5kkzC-4hkmA:
undetectable
5kkzE-4hkmA:
undetectable		 5kkzC-4hkmA:
20.79
5kkzE-4hkmA:
22.61
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.
4igl YENB

(Yersinia
entomophaga) 		PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN) 		4 HIS A 695
VAL A 685
TYR A 404
GLN A 394
 None
 1.25A 5kkzC-4iglA:
undetectable
5kkzE-4iglA:
undetectable		 5kkzC-4iglA:
8.58
5kkzE-4iglA:
15.65
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.
4irt UNCHARACTERIZED
PROTEIN

(Bacteroides
ovatus) 		PF15892
(BNR_4) 		4 HIS A  90
ILE A  92
VAL A  35
TYR A  57
 None
 1.12A 5kkzC-4irtA:
undetectable
5kkzE-4irtA:
undetectable		 5kkzC-4irtA:
18.62
5kkzE-4irtA:
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.
4ldu AUXIN RESPONSE
FACTOR 5

(Arabidopsis
thaliana) 		PF02362
(B3)
PF06507
(Auxin_resp) 		4 HIS A 277
ILE A 278
VAL A  96
TYR A  99
 None
 1.17A 5kkzC-4lduA:
0.9
5kkzE-4lduA:
undetectable		 5kkzC-4lduA:
18.91
5kkzE-4lduA:
21.04
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.
4m29 BETA-XYLOSIDASE

(Caulobacter
vibrioides) 		PF01229
(Glyco_hydro_39) 		4 HIS A 143
ILE A  86
TYR A 148
ARG A 147
 None
 1.29A 5kkzC-4m29A:
undetectable
5kkzE-4m29A:
undetectable		 5kkzC-4m29A:
18.30
5kkzE-4m29A:
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.
4pfb C4-DICARBOXYLATE-BIN
DING PROTEIN

(Fusobacterium
nucleatum) 		PF03480
(DctP) 		4 HIS A 230
ILE A 179
VAL A 169
ARG A 148
 None
None
None
G3P  A 407 (-2.9A)
 1.29A 5kkzC-4pfbA:
undetectable
5kkzE-4pfbA:
undetectable		 5kkzC-4pfbA:
19.21
5kkzE-4pfbA:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xgc ORIGIN RECOGNITION
COMPLEX SUBUNIT 3

(Drosophila
melanogaster) 		PF07034
(ORC3_N) 		4 HIS C 110
HIS C 312
ILE C 311
TYR C  72
 None
 0.96A 5kkzC-4xgcC:
undetectable
5kkzE-4xgcC:
undetectable		 5kkzC-4xgcC:
14.67
5kkzE-4xgcC:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xyw O-ANTIGEN
BIOSYNTHESIS
GLYCOSYLTRANSFERASE
WBNH

(Escherichia
coli) 		PF00534
(Glycos_transf_1)
PF13439
(Glyco_transf_4) 		4 HIS A 244
ILE A 270
TYR A 309
ARG A 313
 None
 1.21A 5kkzC-4xywA:
undetectable
5kkzE-4xywA:
undetectable		 5kkzC-4xywA:
20.88
5kkzE-4xywA:
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.
5a29 EXOPOLYGALACTURONATE
LYASE

(Vibrio
vulnificus) 		PF06917
(Pectate_lyase_2) 		4 ILE A  57
VAL A  39
ARG A  44
GLN A  83
 None
 1.30A 5kkzC-5a29A:
undetectable
5kkzE-5a29A:
undetectable		 5kkzC-5a29A:
13.89
5kkzE-5a29A:
23.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ah1 TRIACYLGLYCEROL
LIPASE

(Clostridium
botulinum) 		no annotation 4 HIS A 426
ILE A 429
VAL A 430
TYR A 440
 None
 1.15A 5kkzC-5ah1A:
undetectable
5kkzE-5ah1A:
undetectable		 5kkzC-5ah1A:
16.31
5kkzE-5ah1A:
22.12
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.
5b16 RIBONUCLEASE
3,DROSHA,RIBONUCLEAS
E
3,DROSHA,RIBONUCLEAS
E 3

(Homo sapiens) 		PF00035
(dsrm)
PF00636
(Ribonuclease_3)
PF14622
(Ribonucleas_3_3) 		4 HIS A 868
HIS A 549
ILE A 547
ARG A 871
 None
ZN  A1402 (-3.4A)
None
None
 1.12A 5kkzC-5b16A:
undetectable
5kkzE-5b16A:
undetectable		 5kkzC-5b16A:
10.79
5kkzE-5b16A:
15.56
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.
5c6f BACTERIAL NON-HEME
FERRITIN

(Helicobacter
pylori) 		PF00210
(Ferritin) 		4 HIS A 114
HIS A 107
ILE A 109
VAL A 105
 None
 1.27A 5kkzC-5c6fA:
undetectable
5kkzE-5c6fA:
undetectable		 5kkzC-5c6fA:
22.55
5kkzE-5c6fA:
17.39
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.
5ey5 LBCA-B

(synthetic
construct) 		PF00291
(PALP) 		4 HIS B 112
HIS B 277
ILE B 185
VAL B 189
 None
 1.22A 5kkzC-5ey5B:
undetectable
5kkzE-5ey5B:
undetectable		 5kkzC-5ey5B:
19.36
5kkzE-5ey5B:
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.
5fg3 PROBABLE TRANSLATION
INITIATION FACTOR
IF-2

(Aeropyrum
pernix) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF11987
(IF-2)
PF14578
(GTP_EFTU_D4) 		4 HIS A  52
ILE A 263
VAL A 262
GLN A  16
 None
 1.13A 5kkzC-5fg3A:
undetectable
5kkzE-5fg3A:
undetectable		 5kkzC-5fg3A:
16.61
5kkzE-5fg3A:
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.
5fse UREASE SUBUNIT ALPHA

(Sporosarcina
pasteurii) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		4 HIS C 272
ILE C 271
VAL C 270
GLN C 418
 None
 1.16A 5kkzC-5fseC:
undetectable
5kkzE-5fseC:
undetectable		 5kkzC-5fseC:
17.65
5kkzE-5fseC:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hc8 PRENYLTRANSFERENCE
FOR PROTEIN

(Lavandula
lanata) 		PF01255
(Prenyltransf) 		4 HIS A 232
HIS A 216
ILE A 218
VAL A 214
 None
 1.28A 5kkzC-5hc8A:
undetectable
5kkzE-5hc8A:
undetectable		 5kkzC-5hc8A:
20.22
5kkzE-5hc8A:
20.53
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.
5j6s ENDOPLASMIC
RETICULUM
AMINOPEPTIDASE 2

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		4 HIS A 664
HIS A 634
ILE A 632
VAL A 633
 None
 1.24A 5kkzC-5j6sA:
undetectable
5kkzE-5j6sA:
undetectable		 5kkzC-5j6sA:
11.68
5kkzE-5j6sA:
17.92
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.
5kha GLUTAMINE-DEPENDENT
NAD+ SYNTHETASE

(Acinetobacter
baumannii) 		PF00795
(CN_hydrolase)
PF02540
(NAD_synthase) 		4 HIS A 344
ILE A 346
VAL A 347
ARG A 375
 None
 0.89A 5kkzC-5khaA:
undetectable
5kkzE-5khaA:
undetectable		 5kkzC-5khaA:
16.41
5kkzE-5khaA:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mvh BACCELL_00856

(Bacteroides
cellulosilyticus) 		PF15892
(BNR_4) 		4 HIS A  90
ILE A  92
VAL A  35
TYR A  57
 None
 1.12A 5kkzC-5mvhA:
1.0
5kkzE-5mvhA:
undetectable		 5kkzC-5mvhA:
16.40
5kkzE-5mvhA:
21.46
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.
5nmi CYTOCHROME B

(Bos taurus) 		PF00032
(Cytochrom_B_C)
PF00033
(Cytochrome_B) 		4 HIS C 267
ILE C 268
TYR C 278
ARG C 282
 None
 0.83A 5kkzC-5nmiC:
undetectable
5kkzE-5nmiC:
50.3		 5kkzC-5nmiC:
17.57
5kkzE-5nmiC:
48.24
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.
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B

(Methanothermobacter
sp. CaT2) 		PF00384
(Molybdopterin) 		4 HIS B 160
ILE B 249
VAL B 146
TYR B 148
 None
 1.25A 5kkzC-5t5iB:
undetectable
5kkzE-5t5iB:
undetectable		 5kkzC-5t5iB:
19.29
5kkzE-5t5iB:
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.
5ux4 CATHEPSIN D

(Rattus
norvegicus) 		no annotation 4 HIS A  56
ILE A 122
VAL A 120
GLN A  14
 None
 1.07A 5kkzC-5ux4A:
undetectable
5kkzE-5ux4A:
undetectable		 5kkzC-5ux4A:
undetectable
5kkzE-5ux4A:
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.
5van BETA-KLOTHO

(Homo sapiens) 		no annotation 4 HIS A 825
ILE A 865
VAL A 864
TYR A 910
 None
 1.24A 5kkzC-5vanA:
undetectable
5kkzE-5vanA:
undetectable		 5kkzC-5vanA:
undetectable
5kkzE-5vanA:
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.
5vha DEAH
(ASP-GLU-ALA-HIS)
BOX POLYPEPTIDE 36

(Bos taurus) 		no annotation 4 ILE A 261
VAL A 262
TYR A 171
ARG A 260
 None
 1.27A 5kkzC-5vhaA:
undetectable
5kkzE-5vhaA:
undetectable		 5kkzC-5vhaA:
undetectable
5kkzE-5vhaA:
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.
5w8q BIS3 BIPHENYL
SYNTHASE

(Malus domestica) 		no annotation 4 HIS A 300
ILE A 342
VAL A 299
ARG A 325
 None
 1.25A 5kkzC-5w8qA:
undetectable
5kkzE-5w8qA:
undetectable		 5kkzC-5w8qA:
undetectable
5kkzE-5w8qA:
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.
5wgg RADICAL SAM DOMAIN
PROTEIN

(Ruminiclostridium
thermocellum) 		PF04055
(Radical_SAM)
PF13186
(SPASM)
PF13353
(Fer4_12) 		4 HIS A  24
HIS A   5
ILE A   4
VAL A  18
 None
 0.93A 5kkzC-5wggA:
undetectable
5kkzE-5wggA:
undetectable		 5kkzC-5wggA:
19.65
5kkzE-5wggA:
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.
5wpn FERRITIN

(Chaetopterus
variopedatus) 		no annotation 4 ILE A  17
VAL A  13
TYR A   9
ARG A  73
 None
 1.09A 5kkzC-5wpnA:
undetectable
5kkzE-5wpnA:
0.0		 5kkzC-5wpnA:
undetectable
5kkzE-5wpnA:
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.
5wx4 ALKYLQUINOLONE
SYNTHASE

(Tetradium
ruticarpum) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		4 HIS A 309
ILE A 351
VAL A 308
ARG A 334
 None
 1.19A 5kkzC-5wx4A:
undetectable
5kkzE-5wx4A:
undetectable		 5kkzC-5wx4A:
19.75
5kkzE-5wx4A:
22.25
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.
5yt0 PROBABLE TRANSLATION
INITIATION FACTOR
IF-2

(Aeropyrum
pernix) 		no annotation 4 HIS A  52
ILE A 263
VAL A 262
GLN A  16
 None
 1.07A 5kkzC-5yt0A:
undetectable
5kkzE-5yt0A:
undetectable		 5kkzC-5yt0A:
undetectable
5kkzE-5yt0A:
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.
5zal ENDORIBONUCLEASE
DICER

(Homo sapiens) 		no annotation 4 HIS A1339
HIS A 703
ILE A 705
ARG A1342
 None
 1.15A 5kkzC-5zalA:
undetectable
5kkzE-5zalA:
undetectable		 5kkzC-5zalA:
undetectable
5kkzE-5zalA:
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.
6ar3 GSI-IIC RT

(Geobacillus
stearothermophilus) 		no annotation 4 ILE A  79
VAL A  62
ARG A  64
GLN A 191
 U  C   3 ( 4.0A)
None
None
DTP  A 501 (-4.1A)
 1.03A 5kkzC-6ar3A:
undetectable
5kkzE-6ar3A:
undetectable		 5kkzC-6ar3A:
18.52
5kkzE-6ar3A:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6btm ALTERNATIVE COMPLEX
III SUBUNIT B
ALTERNATIVE COMPLEX
III SUBUNIT C
ALTERNATIVE COMPLEX
III SUBUNIT F

(Flavobacterium
johnsoniae;
Flavobacterium
johnsoniae;
Flavobacterium
johnsoniae) 		no annotation
no annotation
no annotation 		4 HIS B1003
ILE F 345
VAL C 250
TYR C 399
 None
 1.19A 5kkzC-6btmB:
undetectable
5kkzE-6btmB:
undetectable		 5kkzC-6btmB:
undetectable
5kkzE-6btmB:
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.
6c62 BIURET HYDROLASE

(Pseudomonas sp.
ADP) 		no annotation 4 HIS A 313
HIS A 133
ILE A  90
TYR A 200
 None
 1.09A 5kkzC-6c62A:
undetectable
5kkzE-6c62A:
undetectable		 5kkzC-6c62A:
undetectable
5kkzE-6c62A:
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.
6dhi -

(-) 		no annotation 4 HIS A 157
ILE A 200
VAL A 201
GLN A 310
 None
 1.13A 5kkzC-6dhiA:
undetectable
5kkzE-6dhiA:
undetectable		 5kkzC-6dhiA:
undetectable
5kkzE-6dhiA:
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.
6fq3 E3 UBIQUITIN-PROTEIN
LIGASE TRIM71

(Danio rerio) 		no annotation 4 ILE A 811
TYR A 542
ARG A 763
GLN A 760
 None
 1.08A 5kkzC-6fq3A:
undetectable
5kkzE-6fq3A:
undetectable		 5kkzC-6fq3A:
undetectable
5kkzE-6fq3A:
undetectable