SIMILAR PATTERNS OF AMINO ACIDS FOR 5DBY_A_ACTA617_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b72 PROTEIN (HOMEOBOX
PROTEIN HOX-B1)

(Homo sapiens) 		PF00046
(Homeobox) 		3 TRP A 250
ARG A 254
LEU A 228
 None
 0.75A 5dbyA-1b72A:
undetectable		 5dbyA-1b72A:
9.11
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.
1b8i PROTEIN
(ULTRABITHORAX
HOMEOTIC PROTEIN IV)

(Drosophila
melanogaster) 		PF00046
(Homeobox) 		3 TRP A 148
ARG A 152
LEU A 126
 None
 0.76A 5dbyA-1b8iA:
undetectable		 5dbyA-1b8iA:
7.39
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.
1gzh TUMOR SUPPRESSOR
P53-BINDING PROTEIN
1

(Homo sapiens) 		no annotation 3 TRP B1946
ARG B1956
LEU B1951
 None
 0.72A 5dbyA-1gzhB:
undetectable		 5dbyA-1gzhB:
17.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h4y ANTI-SIGMA F FACTOR
ANTAGONIST

(Lysinibacillus
sphaericus) 		PF01740
(STAS) 		3 TRP A  47
ARG A  66
LEU A   5
 None
 0.61A 5dbyA-1h4yA:
undetectable		 5dbyA-1h4yA:
11.09
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.
1hom ANTENNAPEDIA PROTEIN

(Drosophila
melanogaster) 		PF00046
(Homeobox) 		3 TRP A  48
ARG A  52
LEU A  26
 None
 0.92A 5dbyA-1homA:
undetectable		 5dbyA-1homA:
7.53
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.
1hv6 ALGINATE LYASE

(Sphingomonas
sp.) 		PF05426
(Alginate_lyase) 		3 TRP A 317
ARG A 282
LEU A 331
 None
 0.68A 5dbyA-1hv6A:
0.0		 5dbyA-1hv6A:
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.
1ig7 HOMEOTIC PROTEIN
MSX-1

(Mus musculus) 		PF00046
(Homeobox) 		3 TRP A 148
ARG A 152
LEU A 126
 None
 0.89A 5dbyA-1ig7A:
undetectable		 5dbyA-1ig7A:
8.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ijq LOW-DENSITY
LIPOPROTEIN RECEPTOR

(Homo sapiens) 		PF00058
(Ldl_recept_b)
PF14670
(FXa_inhibition) 		3 TRP A 599
ARG A 583
LEU A 621
 None
 0.98A 5dbyA-1ijqA:
undetectable		 5dbyA-1ijqA:
18.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jqo PHOSPHOENOLPYRUVATE
CARBOXYLASE

(Zea mays) 		PF00311
(PEPcase) 		3 TRP A 586
ARG A 590
LEU A 581
 None
 0.93A 5dbyA-1jqoA:
undetectable		 5dbyA-1jqoA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n4o L2 BETA-LACTAMASE

(Stenotrophomonas
maltophilia) 		PF13354
(Beta-lactamase2) 		3 TRP A 210
ARG A 120
LEU A 138
 None
 0.95A 5dbyA-1n4oA:
undetectable		 5dbyA-1n4oA:
18.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qsa PROTEIN (SOLUBLE
LYTIC
TRANSGLYCOSYLASE
SLT70)

(Escherichia
coli) 		PF01464
(SLT)
PF14718
(SLT_L) 		3 TRP A 307
ARG A 310
LEU A 287
 None
 0.85A 5dbyA-1qsaA:
0.3		 5dbyA-1qsaA:
22.54
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.
1qu2 ISOLEUCYL-TRNA
SYNTHETASE

(Staphylococcus
aureus) 		PF00133
(tRNA-synt_1)
PF06827
(zf-FPG_IleRS)
PF08264
(Anticodon_1) 		3 TRP A 436
ARG A 440
LEU A 582
 U  T   5 ( 3.8A)
C  T  70 ( 3.1A)
None
 0.98A 5dbyA-1qu2A:
0.3		 5dbyA-1qu2A:
21.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ub3 ALDOLASE PROTEIN

(Thermus
thermophilus) 		PF01791
(DeoC) 		3 TRP A  45
ARG A  49
LEU A  36
 None
 0.77A 5dbyA-1ub3A:
undetectable		 5dbyA-1ub3A:
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.
1yyr TRICHODIENE SYNTHASE

(Fusarium
sporotrichioides) 		PF06330
(TRI5) 		3 TRP A 298
ARG A 304
LEU A 307
 None
SAZ  A 709 ( 4.5A)
None
 0.96A 5dbyA-1yyrA:
0.0		 5dbyA-1yyrA:
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.
2a0u INITIATION FACTOR 2B

(Leishmania
major) 		PF01008
(IF-2B) 		3 TRP A 222
ARG A  34
LEU A  36
 None
 0.98A 5dbyA-2a0uA:
undetectable		 5dbyA-2a0uA:
22.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c27 MYCOTHIOL SYNTHASE

(Mycobacterium
tuberculosis) 		PF00583
(Acetyltransf_1) 		3 TRP A 222
ARG A 191
LEU A 167
 None
 0.91A 5dbyA-2c27A:
undetectable		 5dbyA-2c27A:
17.63
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.
2dk3 E3 UBIQUITIN-PROTEIN
LIGASE HECTD1

(Homo sapiens) 		PF06701
(MIB_HERC2) 		3 TRP A  51
ARG A  65
LEU A  74
 None
 0.80A 5dbyA-2dk3A:
undetectable		 5dbyA-2dk3A:
7.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gno DNA POLYMERASE III,
GAMMA
SUBUNIT-RELATED
PROTEIN

(Thermotoga
maritima) 		PF13177
(DNA_pol3_delta2) 		3 TRP A 163
ARG A 152
LEU A 154
 None
 0.98A 5dbyA-2gnoA:
undetectable		 5dbyA-2gnoA:
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.
2h12 CITRATE SYNTHASE

(Acetobacter
aceti) 		PF00285
(Citrate_synt) 		3 TRP A 404
ARG A 165
LEU A  98
 None
 0.63A 5dbyA-2h12A:
undetectable		 5dbyA-2h12A:
22.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hh8 HYPOTHETICAL PROTEIN
YDFO

(Escherichia
coli) 		PF07166
(DUF1398) 		3 TRP A 108
ARG A  97
LEU A  86
 None
 0.99A 5dbyA-2hh8A:
undetectable		 5dbyA-2hh8A:
14.46
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.
2i39 PROTEIN N1

(Vaccinia virus) 		PF06227
(Poxvirus) 		3 TRP A  11
ARG A  12
LEU A   4
 None
 0.91A 5dbyA-2i39A:
2.8		 5dbyA-2i39A:
13.30
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.
2ljr GLUTATHIONE
S-TRANSFERASE

(Homo sapiens) 		PF00043
(GST_C)
PF02798
(GST_N) 		3 TRP A 193
ARG A 194
LEU A 143
 None
 0.81A 5dbyA-2ljrA:
undetectable		 5dbyA-2ljrA:
20.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2llk CYCLIN-D-BINDING
MYB-LIKE
TRANSCRIPTION FACTOR
1

(Homo sapiens) 		PF00249
(Myb_DNA-binding) 		3 TRP A 246
ARG A 239
LEU A 253
 None
 0.88A 5dbyA-2llkA:
undetectable		 5dbyA-2llkA:
10.30
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.
2o13 MUSCLE LIM PROTEIN

(Homo sapiens) 		PF00412
(LIM) 		3 TRP A 140
ARG A 122
LEU A 154
 None
 0.90A 5dbyA-2o13A:
undetectable		 5dbyA-2o13A:
7.31
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.
2pbi REGULATOR OF
G-PROTEIN SIGNALING
9

(Mus musculus) 		PF00610
(DEP)
PF00615
(RGS)
PF00631
(G-gamma) 		3 TRP A  58
ARG A  62
LEU A  73
 None
 0.71A 5dbyA-2pbiA:
1.2		 5dbyA-2pbiA:
23.52
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.
2qa1 POLYKETIDE OXYGENASE
PGAE

(Streptomyces
sp. PGA64) 		PF01494
(FAD_binding_3) 		3 TRP A 106
ARG A  57
LEU A  21
 None
 1.00A 5dbyA-2qa1A:
undetectable		 5dbyA-2qa1A:
19.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ql3 PROBABLE
TRANSCRIPTIONAL
REGULATOR, LYSR
FAMILY PROTEIN

(Rhodococcus
jostii) 		PF03466
(LysR_substrate) 		3 TRP A 165
ARG A 143
LEU A 151
 None
 0.88A 5dbyA-2ql3A:
undetectable		 5dbyA-2ql3A:
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.
2r5y HOMEOTIC PROTEIN SEX
COMBS REDUCED

(Drosophila
melanogaster) 		PF00046
(Homeobox) 		3 TRP A 148
ARG A 152
LEU A 126
 None
 0.79A 5dbyA-2r5yA:
undetectable		 5dbyA-2r5yA:
8.41
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.
2yjn GLYCOSYLTRANSFERASE

(Saccharopolyspora
erythraea) 		PF06722
(DUF1205) 		3 TRP A 150
ARG A 170
LEU A 205
 None
 0.92A 5dbyA-2yjnA:
undetectable		 5dbyA-2yjnA:
22.68
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.
3a01 HOMEODOMAIN-CONTAINI
NG PROTEIN

(Drosophila
melanogaster) 		PF00046
(Homeobox) 		3 TRP A 232
ARG A 236
LEU A 210
 None
 0.70A 5dbyA-3a01A:
undetectable		 5dbyA-3a01A:
9.06
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.
3a03 T-CELL LEUKEMIA
HOMEOBOX PROTEIN 2

(Homo sapiens) 		PF00046
(Homeobox) 		3 TRP A 204
ARG A 208
LEU A 182
 None
None
NA  A   1 (-4.3A)
 0.68A 5dbyA-3a03A:
undetectable		 5dbyA-3a03A:
7.98
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.
3ehs FUSION PROTEIN OF
CRFR1 EXTRACELLULAR
DOMAIN AND MBP

(Escherichia
coli;
Homo sapiens) 		PF02793
(HRM)
PF13416
(SBP_bac_8) 		3 TRP A  55
ARG A  66
LEU A  63
 None
 0.91A 5dbyA-3ehsA:
undetectable		 5dbyA-3ehsA:
22.63
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.
3gw4 UNCHARACTERIZED
PROTEIN

(Deinococcus
radiodurans) 		PF13424
(TPR_12) 		3 TRP A  83
ARG A  78
LEU A 119
 None
 0.89A 5dbyA-3gw4A:
undetectable		 5dbyA-3gw4A:
17.04
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.
3h0g DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1

(Schizosaccharomyces
pombe) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		3 TRP A 436
ARG A 413
LEU A 421
 None
 0.90A 5dbyA-3h0gA:
undetectable		 5dbyA-3h0gA:
17.05
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.
3h1l CYTOCHROME B
MITOCHONDRIAL
CYTOCHROME C1, HEME
PROTEIN

(Gallus gallus;
Gallus gallus) 		PF00032
(Cytochrom_B_C)
PF00033
(Cytochrome_B)
PF02167
(Cytochrom_C1) 		3 TRP C  78
ARG D 201
LEU C  83
 None
 0.69A 5dbyA-3h1lC:
undetectable		 5dbyA-3h1lC:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hpf MUCONATE
CYCLOISOMERASE

(Oceanobacillus
iheyensis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 TRP A 248
ARG A 226
LEU A 232
 None
 0.64A 5dbyA-3hpfA:
undetectable		 5dbyA-3hpfA:
20.85
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.
3hwp PHLG

(Pseudomonas
protegens) 		no annotation 3 TRP A 230
ARG A 228
LEU A 181
 None
 0.97A 5dbyA-3hwpA:
undetectable		 5dbyA-3hwpA:
20.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ilv GLUTAMINE-DEPENDENT
NAD(+) SYNTHETASE

(Cytophaga
hutchinsonii) 		PF00795
(CN_hydrolase)
PF02540
(NAD_synthase) 		3 TRP A 495
ARG A 500
LEU A 505
 None
 0.85A 5dbyA-3ilvA:
1.4		 5dbyA-3ilvA:
23.11
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.
3iv6 PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE

(Rhodobacter
sphaeroides) 		no annotation 3 TRP A  11
ARG A 119
LEU A 201
 SAM  A 301 (-3.7A)
None
None
 0.88A 5dbyA-3iv6A:
undetectable		 5dbyA-3iv6A:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jro NUCLEOPORIN NUP84

(Saccharomyces
cerevisiae) 		PF04121
(Nup84_Nup100) 		3 TRP C 243
ARG C 244
LEU C 219
 None
 0.90A 5dbyA-3jroC:
undetectable		 5dbyA-3jroC:
22.18
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.
3jrp FUSION PROTEIN OF
PROTEIN TRANSPORT
PROTEIN SEC13 AND
NUCLEOPORIN NUP145

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		3 TRP A  61
ARG A  23
LEU A  49
 None
 0.97A 5dbyA-3jrpA:
undetectable		 5dbyA-3jrpA:
20.78
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.
3l9t PUTATIVE
UNCHARACTERIZED
PROTEIN SMU.31

(Streptococcus
mutans) 		PF08713
(DNA_alkylation) 		3 TRP A 132
ARG A 148
LEU A 152
 None
 0.89A 5dbyA-3l9tA:
undetectable		 5dbyA-3l9tA:
16.75
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.
3lps TOPOISOMERASE IV
SUBUNIT B

(Xanthomonas
oryzae) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		3 TRP A 257
ARG A 229
LEU A 231
 None
 0.86A 5dbyA-3lpsA:
undetectable		 5dbyA-3lpsA:
21.82
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.
3m0c LOW-DENSITY
LIPOPROTEIN RECEPTOR

(Homo sapiens) 		PF00057
(Ldl_recept_a)
PF00058
(Ldl_recept_b)
PF07645
(EGF_CA)
PF14670
(FXa_inhibition) 		3 TRP C 599
ARG C 583
LEU C 621
 None
 0.98A 5dbyA-3m0cC:
undetectable		 5dbyA-3m0cC:
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.
3nyq MALONYL-COA LIGASE

(Streptomyces
coelicolor) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		3 TRP A 171
ARG A 283
LEU A 179
 None
MCA  A 486 ( 3.0A)
None
 0.85A 5dbyA-3nyqA:
undetectable		 5dbyA-3nyqA:
22.42
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.
3oqq PUTATIVE LIPOPROTEIN

(Bacteroides
ovatus) 		PF16129
(DUF4841)
PF16130
(DUF4842) 		3 TRP A 263
ARG A 274
LEU A 295
 None
 0.99A 5dbyA-3oqqA:
undetectable		 5dbyA-3oqqA:
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.
3p2c PUTATIVE GLYCOSYL
HYDROLASE

(Bacteroides
ovatus) 		PF06824
(Glyco_hydro_125) 		3 TRP A 462
ARG A 115
LEU A 364
 None
 0.98A 5dbyA-3p2cA:
undetectable		 5dbyA-3p2cA:
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.
3prc PHOTOSYNTHETIC
REACTION CENTER

(Blastochloris
viridis) 		PF00124
(Photo_RC) 		3 TRP L 115
ARG L 109
LEU L 102
 None
 0.84A 5dbyA-3prcL:
undetectable		 5dbyA-3prcL:
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.
3qpf PUTATIVE
UNCHARACTERIZED
PROTEIN

(Streptococcus
pneumoniae) 		PF06824
(Glyco_hydro_125) 		3 TRP A 410
ARG A  62
LEU A 312
 None
 0.94A 5dbyA-3qpfA:
undetectable		 5dbyA-3qpfA:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sfy CRYPTOCOCCUS
NEOFORMANS PROTEIN
FARNESYLTRANSFERASE
ALPHA SUBUNIT

(Cryptococcus
neoformans) 		PF01239
(PPTA) 		3 TRP A 112
ARG A 115
LEU A 151
 None
 0.81A 5dbyA-3sfyA:
undetectable		 5dbyA-3sfyA:
19.45
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.
3sfy CRYPTOCOCCUS
NEOFORMANS PROTEIN
FARNESYLTRANSFERASE
ALPHA SUBUNIT

(Cryptococcus
neoformans) 		PF01239
(PPTA) 		3 TRP A 190
ARG A 193
LEU A 234
 None
 0.87A 5dbyA-3sfyA:
undetectable		 5dbyA-3sfyA:
19.45
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.
3ttb EIGHT-HEME NITRITE
REDUCTASE

(Thioalkalivibrio
paradoxus) 		PF02335
(Cytochrom_C552) 		3 TRP A 156
ARG A 219
LEU A 185
 None
 0.97A 5dbyA-3ttbA:
undetectable		 5dbyA-3ttbA:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tts BETA-GALACTOSIDASE

(Bacillus
circulans) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		3 TRP A 167
ARG A 223
LEU A 178
 None
 0.92A 5dbyA-3ttsA:
undetectable		 5dbyA-3ttsA:
22.35
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.
3wad GLYCOSYLTRANSFERASE

(Streptomyces
halstedii) 		PF06722
(DUF1205) 		3 TRP A 129
ARG A 149
LEU A 184
 None
 0.79A 5dbyA-3wadA:
undetectable		 5dbyA-3wadA:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zgb PHOSPHOENOLPYRUVATE
CARBOXYLASE

(Flaveria
pringlei) 		PF00311
(PEPcase) 		3 TRP A 580
ARG A 584
LEU A 575
 None
 0.49A 5dbyA-3zgbA:
undetectable		 5dbyA-3zgbA:
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.
3zpc RIBOFLAVIN
BIOSYNTHESIS PROTEIN
RIBD

(Acinetobacter
baumannii) 		PF00383
(dCMP_cyt_deam_1)
PF01872
(RibD_C) 		3 TRP A 187
ARG A 154
LEU A 341
 None
ACT  A1359 (-3.5A)
None
 1.00A 5dbyA-3zpcA:
undetectable		 5dbyA-3zpcA:
20.93
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.
4ayr MANNOSYL-OLIGOSACCHA
RIDE
1,2-ALPHA-MANNOSIDAS
E

(Caulobacter sp.
K31) 		PF01532
(Glyco_hydro_47) 		3 TRP A 270
ARG A 214
LEU A 190
 None
 0.50A 5dbyA-4ayrA:
0.9		 5dbyA-4ayrA:
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.
4bk1 PROBABLE SALICYLATE
MONOOXYGENASE

(Rhodococcus
jostii) 		PF01494
(FAD_binding_3) 		3 TRP A 268
ARG A 187
LEU A 219
 None
FAD  A1398 (-3.6A)
None
 0.85A 5dbyA-4bk1A:
undetectable		 5dbyA-4bk1A:
20.56
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.
4bzj PROTEIN TRANSPORT
PROTEIN SEC13

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		3 TRP B  61
ARG B  23
LEU B  49
 None
 0.86A 5dbyA-4bzjB:
undetectable		 5dbyA-4bzjB:
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.
4d3d IMINE REDUCTASE

(Bacillus cereus) 		PF03446
(NAD_binding_2) 		3 TRP A  51
ARG A  53
LEU A  84
 None
 0.83A 5dbyA-4d3dA:
undetectable		 5dbyA-4d3dA:
19.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dam SINGLE-STRANDED
DNA-BINDING PROTEIN
1

(Streptomyces
coelicolor) 		PF00436
(SSB) 		3 TRP A  56
ARG A  28
LEU A  21
 None
 0.64A 5dbyA-4damA:
undetectable		 5dbyA-4damA:
11.84
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.
4ekx 14L PROTEIN

(Tanapox virus) 		no annotation 3 TRP C 130
ARG C 105
LEU C 109
 None
 0.70A 5dbyA-4ekxC:
undetectable		 5dbyA-4ekxC:
10.41
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.
4f3e CASA

(Thermus
thermophilus) 		PF09481
(CRISPR_Cse1) 		3 TRP A 300
ARG A 301
LEU A 457
 None
 0.89A 5dbyA-4f3eA:
undetectable		 5dbyA-4f3eA:
23.25
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.
4gtr PROTEIN
FARNESYLTRANSFERASE/
GERANYLGERANYLTRANSF
ERASE TYPE-1 SUBUNIT
ALPHA

(Rattus
norvegicus) 		PF01239
(PPTA) 		3 TRP A 237
ARG A 240
LEU A 280
 None
 0.99A 5dbyA-4gtrA:
undetectable		 5dbyA-4gtrA:
19.39
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.
4gxr MALONYL COA
SYNTHETASE,
BENZOATE-COA LIGASE
CHIMERIC PROTEIN

(Rhodopseudomonas
palustris;
Paraburkholderia
xenovorans) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		3 TRP A 191
ARG A 299
LEU A 199
 None
CO3  A 608 ( 2.7A)
None
 0.85A 5dbyA-4gxrA:
undetectable		 5dbyA-4gxrA:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ilq CT771

(Chlamydia
trachomatis) 		PF00293
(NUDIX) 		3 TRP A 117
ARG A  16
LEU A  60
 None
 0.94A 5dbyA-4ilqA:
undetectable		 5dbyA-4ilqA:
14.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kdy MALEYLACETOACETATE
ISOMERASE

(Anaeromyxobacter
dehalogenans) 		PF02798
(GST_N) 		3 TRP A  77
ARG A  81
LEU A  21
 None
 0.93A 5dbyA-4kdyA:
undetectable		 5dbyA-4kdyA:
17.35
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.
4l9o SEC16,PROTEIN
TRANSPORT PROTEIN
SEC13

(Komagataella
pastoris;
Komagataella
phaffii) 		PF00400
(WD40) 		3 TRP A2072
ARG A2034
LEU A2060
 EDO  A2409 (-4.6A)
EDO  A2409 ( 4.0A)
None
 0.85A 5dbyA-4l9oA:
undetectable		 5dbyA-4l9oA:
19.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ldp NDP-FOROSAMYLTRANSFE
RASE

(Saccharopolyspora
spinosa) 		PF06722
(DUF1205) 		3 TRP A 129
ARG A 149
LEU A 184
 None
 0.91A 5dbyA-4ldpA:
undetectable		 5dbyA-4ldpA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n0r PUTATIVE GLYCOSIDE
HYDROLASE

(Bacteroides
vulgatus) 		PF13204
(DUF4038)
PF16586
(DUF5060) 		3 TRP A 141
ARG A 218
LEU A 225
 None
 0.80A 5dbyA-4n0rA:
undetectable		 5dbyA-4n0rA:
20.55
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.
4pk1 CHIMERA PROTEIN OF
OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTORS BAMA AND
BAMB

(Escherichia
coli) 		PF07244
(POTRA)
PF13360
(PQQ_2) 		3 TRP A1279
ARG A1281
LEU A1261
 None
 0.92A 5dbyA-4pk1A:
undetectable		 5dbyA-4pk1A:
22.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4po0 SERUM ALBUMIN

(Oryctolagus
cuniculus) 		PF00273
(Serum_albumin) 		3 TRP A 214
ARG A 218
LEU A 238
 None
 0.38A 5dbyA-4po0A:
50.3		 5dbyA-4po0A:
71.06
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.
4s0h HOMEOBOX PROTEIN
NKX-2.5

(Homo sapiens) 		PF00046
(Homeobox) 		3 TRP B 185
ARG B 189
LEU B 163
 None
 0.99A 5dbyA-4s0hB:
undetectable		 5dbyA-4s0hB:
6.65
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.
4uus HOMEOTIC PROTEIN
ULTRABITHORAX

(Drosophila
melanogaster) 		PF00046
(Homeobox) 		3 TRP A  48
ARG A  52
LEU A  26
 None
 0.89A 5dbyA-4uusA:
undetectable		 5dbyA-4uusA:
8.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uut HOMEOTIC PROTEIN
ULTRABITHORAX

(Drosophila
melanogaster) 		PF00046
(Homeobox) 		3 TRP A  48
ARG A  52
LEU A  26
 None
None
CL  A1077 ( 4.3A)
 0.81A 5dbyA-4uutA:
undetectable		 5dbyA-4uutA:
9.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wjl INACTIVE DIPEPTIDYL
PEPTIDASE 10

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		3 TRP A 326
ARG A 250
LEU A 308
 None
 0.94A 5dbyA-4wjlA:
undetectable		 5dbyA-4wjlA:
22.28
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.
4wui N-(5'-PHOSPHORIBOSYL
)ANTHRANILATE
ISOMERASE

(Jonesia
denitrificans) 		PF00697
(PRAI) 		3 TRP A 149
ARG A 144
LEU A 106
 None
 0.91A 5dbyA-4wuiA:
undetectable		 5dbyA-4wuiA:
15.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x4j PUTATIVE OXYGENASE

(Amycolatopsis
orientalis) 		PF01494
(FAD_binding_3) 		3 TRP A 106
ARG A  57
LEU A  21
 None
 0.98A 5dbyA-4x4jA:
undetectable		 5dbyA-4x4jA:
22.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x8q UNCHARACTERIZED
PROTEIN

(Streptococcus
mutans) 		PF08713
(DNA_alkylation) 		3 TRP A 132
ARG A 148
LEU A 152
 None
 0.85A 5dbyA-4x8qA:
undetectable		 5dbyA-4x8qA:
16.35
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.
4ycz FUSION PROTEIN OF
SEC13 AND NUP145C

(Thermothelomyces
thermophila) 		PF00400
(WD40)
PF12110
(Nup96) 		3 TRP A  70
ARG A  32
LEU A  58
 None
 0.76A 5dbyA-4yczA:
undetectable		 5dbyA-4yczA:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ady GTPASE HFLX

(Escherichia
coli) 		PF01926
(MMR_HSR1)
PF13167
(GTP-bdg_N)
PF16360
(GTP-bdg_M) 		3 TRP 6 341
ARG 6 339
LEU 6 322
 None
 0.83A 5dbyA-5ady6:
undetectable		 5dbyA-5ady6:
23.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cxc RIBOSOME BIOGENESIS
PROTEIN ERB1

(Chaetomium
thermophilum) 		PF00400
(WD40) 		3 TRP B 596
ARG B 505
LEU B 583
 None
 0.88A 5dbyA-5cxcB:
undetectable		 5dbyA-5cxcB:
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.
5cyr RNA-DEPENDENT RNA
POLYMERASE

(Thosea asigna
virus) 		no annotation 3 TRP B 158
ARG B 120
LEU B 165
 None
 0.91A 5dbyA-5cyrB:
0.0		 5dbyA-5cyrB:
21.82
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.
5czc MALONYL-COA-[ACYL-CA
RRIER-PROTEIN]
TRANSACYLASE

(Streptomyces
halstedii) 		no annotation 3 TRP A 195
ARG A 199
LEU A 186
 None
 0.92A 5dbyA-5czcA:
1.0		 5dbyA-5czcA:
19.89
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.
5dfa BETA-GALACTOSIDASE

(Geobacillus
stearothermophilus) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		3 TRP A 176
ARG A 227
LEU A 188
 None
 1.00A 5dbyA-5dfaA:
undetectable		 5dbyA-5dfaA:
22.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dqf SERUM ALBUMIN

(Equus caballus) 		PF00273
(Serum_albumin) 		3 TRP A 213
ARG A 217
LEU A 237
 None
CL  A 617 ( 4.6A)
PG4  A 602 (-4.7A)
 0.16A 5dbyA-5dqfA:
54.7		 5dbyA-5dqfA:
99.48
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.
5e04 NUCLEOPROTEIN

(Andes
orthohantavirus) 		PF00846
(Hanta_nucleocap) 		3 TRP A 232
ARG A 235
LEU A 240
 None
 0.96A 5dbyA-5e04A:
undetectable		 5dbyA-5e04A:
17.75
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.
5fdn PHOSPHOENOLPYRUVATE
CARBOXYLASE 3

(Arabidopsis
thaliana) 		PF00311
(PEPcase) 		3 TRP A 583
ARG A 587
LEU A 578
 None
 0.68A 5dbyA-5fdnA:
undetectable		 5dbyA-5fdnA:
20.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ghk SERUM ALBUMIN

(Canis lupus) 		PF00273
(Serum_albumin) 		3 TRP A 214
ARG A 218
LEU A 238
 None
 0.56A 5dbyA-5ghkA:
47.6		 5dbyA-5ghkA:
76.20
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.
5i35 ATYPICAL KINASE
ADCK3, MITOCHONDRIAL

(Homo sapiens) 		PF03109
(ABC1) 		3 TRP A 324
ARG A 325
LEU A 309
 None
 0.57A 5dbyA-5i35A:
undetectable		 5dbyA-5i35A:
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.
5i6h ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01039
(Carboxyl_trans)
PF08326
(ACC_central) 		3 TRP A1846
ARG A1785
LEU A1911
 None
 0.93A 5dbyA-5i6hA:
undetectable		 5dbyA-5i6hA:
17.29
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.
5i6i ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN,ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN,ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01039
(Carboxyl_trans)
PF08326
(ACC_central) 		3 TRP A1846
ARG A1785
LEU A1911
 None
 0.98A 5dbyA-5i6iA:
undetectable		 5dbyA-5i6iA:
14.24
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.
5jlw HOMEOTIC PROTEIN
ANTENNAPEDIA

(Drosophila
melanogaster) 		PF00046
(Homeobox) 		3 TRP A  48
ARG A  52
LEU A  26
 None
 0.92A 5dbyA-5jlwA:
2.0		 5dbyA-5jlwA:
6.92
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.
5lv9 THERMOPHILIC
TRYPTOPHAN
HALOGENASE

(Streptomyces
violaceusniger) 		PF04820
(Trp_halogenase) 		3 TRP A 439
ARG A 435
LEU A 456
 None
 0.98A 5dbyA-5lv9A:
undetectable		 5dbyA-5lv9A:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nx2 GLUCAGON-LIKE
PEPTIDE 1 RECEPTOR

(Homo sapiens) 		PF00002
(7tm_2)
PF02793
(HRM) 		3 TRP A  39
ARG A  40
LEU A 218
 None
 0.92A 5dbyA-5nx2A:
undetectable		 5dbyA-5nx2A:
21.67
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.
5yxe SERUM ALBUMIN

(Felis catus) 		no annotation 3 TRP A 214
ARG A 218
LEU A 238
 None
 0.43A 5dbyA-5yxeA:
46.0		 5dbyA-5yxeA:
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.
6bq9 DNA TOPOISOMERASE 4
SUBUNIT A

(Pseudomonas
putida) 		no annotation 3 TRP A 357
ARG A 361
LEU A 203
 None
 0.94A 5dbyA-6bq9A:
undetectable		 5dbyA-6bq9A:
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.
6brs PUTATIVE ZINC
PROTEASE

(Pectobacterium
atrosepticum) 		no annotation 3 TRP A 412
ARG A  61
LEU A 141
 None
 0.88A 5dbyA-6brsA:
undetectable		 5dbyA-6brsA:
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.
6dbf INLB SPECIFIC VHH
R303

(Camelus
dromedarius) 		no annotation 3 TRP B 105
ARG B  50
LEU B  81
 None
 0.86A 5dbyA-6dbfB:
undetectable		 5dbyA-6dbfB:
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.
6f3m -

(-) 		no annotation 3 TRP B 337
ARG B 351
LEU B 367
 None
 0.98A 5dbyA-6f3mB:
undetectable		 5dbyA-6f3mB:
undetectable