SIMILAR PATTERNS OF AMINO ACIDS FOR 4XEY_B_1N1B601_2

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.
1bt2 PROTEIN (CATECHOL
OXIDASE)

(Ipomoea batatas) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		3 MET A 329
ASP A 278
PHE A 142
 None
 0.98A 4xeyB-1bt2A:
undetectable		 4xeyB-1bt2A:
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.
1ea9 CYCLOMALTODEXTRINASE

(Bacillus sp.
(in: Bacteria)) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16657
(Malt_amylase_C) 		3 MET C 372
ASP C 238
PHE C 191
 None
 1.07A 4xeyB-1ea9C:
0.0		 4xeyB-1ea9C:
20.83
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.
1fez PHOSPHONOACETALDEHYD
E HYDROLASE

(Bacillus cereus) 		PF13419
(HAD_2) 		3 MET A 165
ASP A  12
PHE A  11
 None
MG  A 801 (-3.7A)
None
 0.92A 4xeyB-1fezA:
undetectable		 4xeyB-1fezA:
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.
1hpl LIPASE

(Equus caballus) 		PF00151
(Lipase)
PF01477
(PLAT) 		3 MET A 234
ASP A 176
PHE A 215
 None
 1.07A 4xeyB-1hplA:
0.0		 4xeyB-1hplA:
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.
1lqt FPRA

(Mycobacterium
tuberculosis) 		PF07992
(Pyr_redox_2) 		3 MET A 111
ASP A 127
PHE A 128
 None
 0.88A 4xeyB-1lqtA:
0.0		 4xeyB-1lqtA:
22.52
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.
1mh6 BLEOMYCIN RESISTANCE
PROTEIN

(Klebsiella
pneumoniae) 		no annotation 3 MET A 236
ASP A 310
PHE A 260
 None
 0.95A 4xeyB-1mh6A:
0.2		 4xeyB-1mh6A:
14.90
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.
1nq7 NUCLEAR RECEPTOR
ROR-BETA

(Rattus
norvegicus) 		PF00104
(Hormone_recep) 		3 MET A 327
ASP A 344
PHE A 345
 None
 1.02A 4xeyB-1nq7A:
undetectable		 4xeyB-1nq7A:
19.23
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.
1okc ADP, ATP CARRIER
PROTEIN HEART
ISOFORM T1

(Bos taurus) 		PF00153
(Mito_carr) 		3 MET A 238
ASP A 231
PHE A 230
 None
CXT  A 401 (-3.6A)
LDM  A 904 ( 4.7A)
 1.06A 4xeyB-1okcA:
undetectable		 4xeyB-1okcA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qq6 PROTEIN
(L-2-HALOACID
DEHALOGENASE)

(Xanthobacter
autotrophicus) 		PF00702
(Hydrolase) 		3 MET A 218
ASP A  15
PHE A  14
 None
 0.81A 4xeyB-1qq6A:
0.0		 4xeyB-1qq6A:
19.42
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.
1s5t DIHYDRODIPICOLINATE
SYNTHASE

(Escherichia
coli) 		PF00701
(DHDPS) 		3 MET A 237
ASP A 193
PHE A 194
 None
 1.06A 4xeyB-1s5tA:
0.0		 4xeyB-1s5tA:
20.87
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.
1tq4 INTERFERON-INDUCIBLE
GTPASE

(Mus musculus) 		PF05049
(IIGP) 		3 MET A 144
ASP A 126
PHE A 124
 None
MG  A 501 (-2.8A)
None
 1.02A 4xeyB-1tq4A:
undetectable		 4xeyB-1tq4A:
22.87
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.
1vbj PROSTAGLANDIN F
SYNTHASE

(Trypanosoma
brucei) 		PF00248
(Aldo_ket_red) 		3 MET A  15
ASP A  47
PHE A  20
 None
NAP  A3001 (-3.6A)
None
 1.05A 4xeyB-1vbjA:
undetectable		 4xeyB-1vbjA:
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.
1vzo RIBOSOMAL PROTEIN S6
KINASE ALPHA 5

(Homo sapiens) 		PF00069
(Pkinase) 		3 MET A 295
ASP A 288
PHE A 317
 None
 0.97A 4xeyB-1vzoA:
19.6		 4xeyB-1vzoA:
24.53
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.
2dg6 PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF13411
(MerR_1) 		3 MET A 161
ASP A 169
PHE A 170
 None
 1.02A 4xeyB-2dg6A:
undetectable		 4xeyB-2dg6A:
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.
2ebn ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE F1

(Elizabethkingia
meningoseptica) 		PF00704
(Glyco_hydro_18) 		3 MET A 247
ASP A 130
PHE A 129
 None
 1.00A 4xeyB-2ebnA:
undetectable		 4xeyB-2ebnA:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f1z UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 7

(Homo sapiens) 		PF00443
(UCH)
PF00917
(MATH) 		3 MET A 328
ASP A 349
PHE A 324
 None
 0.97A 4xeyB-2f1zA:
undetectable		 4xeyB-2f1zA:
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.
2gsj PROTEIN PPL-2

(Parkia
platycephala) 		PF00704
(Glyco_hydro_18) 		3 MET A 251
ASP A 125
PHE A 124
 None
 0.86A 4xeyB-2gsjA:
undetectable		 4xeyB-2gsjA:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hi0 PUTATIVE
PHOSPHOGLYCOLATE
PHOSPHATASE

(Lactobacillus
delbrueckii) 		PF13419
(HAD_2) 		3 MET A 169
ASP A   9
PHE A   8
 None
NA  A 240 (-2.9A)
None
 0.90A 4xeyB-2hi0A:
undetectable		 4xeyB-2hi0A:
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.
2hjj HYPOTHETICAL PROTEIN
YKFF

(Escherichia
coli) 		PF06006
(DUF905) 		3 MET A  48
ASP A  31
PHE A  37
 None
 0.99A 4xeyB-2hjjA:
undetectable		 4xeyB-2hjjA:
11.98
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.
2l9w U4/U6
SNRNA-ASSOCIATED-SPL
ICING FACTOR PRP24

(Saccharomyces
cerevisiae) 		PF16842
(RRM_occluded) 		3 MET A 370
ASP A 389
PHE A 317
 None
 1.06A 4xeyB-2l9wA:
undetectable		 4xeyB-2l9wA:
15.69
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.
2ldy ORF1 CODES FOR A 40
KDA PRODUCT

(Homo sapiens) 		PF02994
(Transposase_22)
PF17490
(Tnp_22_dsRBD) 		3 MET A 323
ASP A 305
PHE A 306
 None
 0.92A 4xeyB-2ldyA:
undetectable		 4xeyB-2ldyA:
19.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2mzb ADENOSYLCOBINAMIDE-P
HOSPHATE
GUANYLYLTRANSFERASE

(Methanocaldococcus
jannaschii) 		PF12804
(NTP_transf_3) 		3 MET A  14
ASP A 183
PHE A 176
 None
 0.98A 4xeyB-2mzbA:
undetectable		 4xeyB-2mzbA:
18.66
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.
2o3l HYPOTHETICAL PROTEIN

(Bacillus cereus) 		PF06304
(DUF1048) 		3 MET A  17
ASP A  60
PHE A  62
 None
 0.84A 4xeyB-2o3lA:
undetectable		 4xeyB-2o3lA:
10.57
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.
2obb HYPOTHETICAL PROTEIN

(Bacteroides
thetaiotaomicron) 		no annotation 3 MET A 109
ASP A 102
PHE A  25
 None
 1.02A 4xeyB-2obbA:
undetectable		 4xeyB-2obbA:
16.96
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.
2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF06471
(NSP11) 		3 MET A 251
ASP A 267
PHE A 268
 None
 1.04A 4xeyB-2ozkA:
undetectable		 4xeyB-2ozkA:
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.
2p0r CALPAIN-9

(Homo sapiens) 		PF00648
(Peptidase_C2) 		3 MET A  32
ASP A  47
PHE A  48
 None
 1.03A 4xeyB-2p0rA:
undetectable		 4xeyB-2p0rA:
21.75
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.
2p3x POLYPHENOL OXIDASE,
CHLOROPLAST

(Vitis vinifera) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		3 MET A 152
ASP A 265
PHE A 268
 None
None
C2O  A 340 ( 4.7A)
 0.87A 4xeyB-2p3xA:
undetectable		 4xeyB-2p3xA:
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.
2v5q DESIGN ANKYRIN
REPEAT PROTEIN

(unidentified) 		PF12796
(Ank_2)
PF13637
(Ank_4) 		3 MET C  89
ASP C 110
PHE C 109
 None
 1.01A 4xeyB-2v5qC:
undetectable		 4xeyB-2v5qC:
18.36
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.
2vvt GLUTAMATE RACEMASE

(Enterococcus
faecalis) 		PF01177
(Asp_Glu_race) 		3 MET A   1
ASP A 224
PHE A 223
 None
 1.00A 4xeyB-2vvtA:
undetectable		 4xeyB-2vvtA:
22.62
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.
2xvn ASPERGILLUS
FUMIGATUS CHITINASE
A1

(Aspergillus
fumigatus) 		PF00704
(Glyco_hydro_18) 		3 MET A 310
ASP A 172
PHE A 171
 KLS  A1338 ( 4.9A)
KLS  A1338 (-2.8A)
None
 0.85A 4xeyB-2xvnA:
undetectable		 4xeyB-2xvnA:
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.
2ybu ACIDIC MAMMALIAN
CHITINASE

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		3 MET A 358
ASP A 138
PHE A 137
 None
CX9  A1398 (-3.0A)
None
 0.80A 4xeyB-2ybuA:
undetectable		 4xeyB-2ybuA:
22.85
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.
2zfu CEREBRAL PROTEIN 1

(Homo sapiens) 		PF05148
(Methyltransf_8) 		3 MET A 367
ASP A 334
PHE A 333
 SAH  A 900 ( 3.7A)
SAH  A 900 (-2.7A)
None
 0.69A 4xeyB-2zfuA:
1.1		 4xeyB-2zfuA:
19.02
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.
2zxq ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Bifidobacterium
longum) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		3 MET A1102
ASP A1248
PHE A1247
 None
MN  A   3 (-2.2A)
None
 1.04A 4xeyB-2zxqA:
undetectable		 4xeyB-2zxqA:
15.35
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.
2zzw ABC TRANSPORTER,
SOLUTE-BINDING
PROTEIN

(Thermus
thermophilus) 		PF03480
(DctP) 		3 MET A 106
ASP A 253
PHE A  98
 None
None
LAC  A 401 (-4.0A)
 0.99A 4xeyB-2zzwA:
undetectable		 4xeyB-2zzwA:
23.73
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.
3cb5 FACT COMPLEX SUBUNIT
SPT16

(Schizosaccharomyces
pombe) 		PF00557
(Peptidase_M24)
PF14826
(FACT-Spt16_Nlob) 		3 MET A 195
ASP A 413
PHE A 425
 None
 1.05A 4xeyB-3cb5A:
undetectable		 4xeyB-3cb5A:
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.
3cq5 HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE

(Corynebacterium
glutamicum) 		PF00155
(Aminotran_1_2) 		3 MET A 150
ASP A 176
PHE A 146
 None
 0.96A 4xeyB-3cq5A:
undetectable		 4xeyB-3cq5A:
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.
3edl KINESIN13 MOTOR
DOMAIN

(Drosophila
melanogaster) 		PF00225
(Kinesin) 		3 MET D 265
ASP D 225
PHE D 224
 None
 0.97A 4xeyB-3edlD:
undetectable		 4xeyB-3edlD:
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.
3f7s UNCHARACTERIZED
NTF2-LIKE PROTEIN

(Pseudomonas
putida) 		PF13474
(SnoaL_3) 		3 MET A 104
ASP A  40
PHE A  39
 UNL  A 142 ( 4.9A)
UNL  A 142 (-3.1A)
None
 1.02A 4xeyB-3f7sA:
undetectable		 4xeyB-3f7sA:
16.13
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.
3gw4 UNCHARACTERIZED
PROTEIN

(Deinococcus
radiodurans) 		PF13424
(TPR_12) 		3 MET A 191
ASP A 176
PHE A 151
 None
 1.02A 4xeyB-3gw4A:
undetectable		 4xeyB-3gw4A:
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.
3h4q PUTATIVE
ACETYLTRANSFERASE

(Staphylococcus
aureus) 		PF00583
(Acetyltransf_1) 		3 MET A   1
ASP A   9
PHE A  63
 None
 0.86A 4xeyB-3h4qA:
undetectable		 4xeyB-3h4qA:
19.31
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.
3h9c METHIONYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF09334
(tRNA-synt_1g) 		3 MET A 184
ASP A 138
PHE A 140
 None
 0.72A 4xeyB-3h9cA:
undetectable		 4xeyB-3h9cA:
21.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hjz TRANSALDOLASE B

(Prochlorococcus
marinus) 		PF00923
(TAL_FSA) 		3 MET A 226
ASP A  17
PHE A 251
 None
 1.00A 4xeyB-3hjzA:
undetectable		 4xeyB-3hjzA:
24.71
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.
3hq0 CATECHOL
2,3-DIOXYGENASE

(Pseudomonas
alkylphenolica) 		PF00903
(Glyoxalase) 		3 MET A   3
ASP A 202
PHE A 169
 None
 1.07A 4xeyB-3hq0A:
undetectable		 4xeyB-3hq0A:
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.
3i1c DIISOPROPYL-FLUOROPH
OSPHATASE

(Loligo vulgaris) 		PF08450
(SGL) 		3 MET A 261
ASP A 234
PHE A 233
 None
 1.06A 4xeyB-3i1cA:
undetectable		 4xeyB-3i1cA:
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.
3ihk THIAMIN
PYROPHOSPHOKINASE

(Streptococcus
mutans) 		PF04263
(TPK_catalytic)
PF04265
(TPK_B1_binding) 		3 MET A 105
ASP A 128
PHE A  95
 None
 1.01A 4xeyB-3ihkA:
undetectable		 4xeyB-3ihkA:
20.54
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.
3iru PHOSHONOACETALDEHYDE
HYDROLASE LIKE
PROTEIN

(Oleispira
antarctica) 		PF13419
(HAD_2) 		3 MET A  55
ASP A  25
PHE A  26
 None
 1.07A 4xeyB-3iruA:
undetectable		 4xeyB-3iruA:
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.
3l7i TEICHOIC ACID
BIOSYNTHESIS PROTEIN
F

(Staphylococcus
epidermidis) 		PF04464
(Glyphos_transf) 		3 MET A 460
ASP A 549
PHE A 552
 None
 0.98A 4xeyB-3l7iA:
undetectable		 4xeyB-3l7iA:
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.
3lg3 ISOCITRATE LYASE

(Yersinia pestis) 		PF00463
(ICL) 		3 MET A 199
ASP A 257
PHE A 264
 None
 1.01A 4xeyB-3lg3A:
undetectable		 4xeyB-3lg3A:
22.32
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.
3m0o MONOMERIC SARCOSINE
OXIDASE

(Bacillus sp.
B-0618) 		PF01266
(DAO) 		3 MET A  16
ASP A  36
PHE A  35
 None
None
FAD  A 400 (-4.7A)
 1.00A 4xeyB-3m0oA:
undetectable		 4xeyB-3m0oA:
24.12
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.
3mlx HUMAN MONOCLONAL
ANTI-HIV-1 GP120 V3
ANTIBODY 3074 FAB
HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		3 MET H  69
ASP H  95
PHE H  32
 None
 0.91A 4xeyB-3mlxH:
undetectable		 4xeyB-3mlxH:
19.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n0a TYROSINE-PROTEIN
PHOSPHATASE AUXILIN

(Bos taurus) 		PF10409
(PTEN_C2) 		3 MET A 212
ASP A 292
PHE A 322
 None
 0.74A 4xeyB-3n0aA:
undetectable		 4xeyB-3n0aA:
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.
3n5f N-CARBAMOYL-L-AMINO
ACID HYDROLASE

(Geobacillus
stearothermophilus) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		3 MET A 369
ASP A  90
PHE A  89
 None
CO  A 410 (-2.8A)
None
 0.92A 4xeyB-3n5fA:
1.4		 4xeyB-3n5fA:
23.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli) 		PF00342
(PGI) 		3 MET A  49
ASP A 402
PHE A 403
 None
 1.03A 4xeyB-3nbuA:
undetectable		 4xeyB-3nbuA:
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.
3q3u LIGNIN PEROXIDASE

(Trametopsis
cervina) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		3 MET A 259
ASP A 193
PHE A 192
 None
CA  A 341 (-2.2A)
HEM  A 338 (-4.8A)
 1.08A 4xeyB-3q3uA:
undetectable		 4xeyB-3q3uA:
19.90
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.
3s7w EIGHT-HEME NITRITE
REDUCTASE

(Thioalkalivibrio
nitratireducens) 		PF02335
(Cytochrom_C552) 		3 MET A  99
ASP A 450
PHE A 452
 None
 1.00A 4xeyB-3s7wA:
undetectable		 4xeyB-3s7wA:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ssz MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
N-TERMINAL DOMAIN
PROTEIN

(Rhodobacteraceae
bacterium KLH11) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 MET A 343
ASP A 389
PHE A 387
 None
 0.99A 4xeyB-3sszA:
undetectable		 4xeyB-3sszA:
22.99
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.
3ut3 PLASMINOGEN
ACTIVATOR INHIBITOR
1

(Homo sapiens) 		PF00079
(Serpin) 		3 MET A  83
ASP A  95
PHE A 117
 None
 0.82A 4xeyB-3ut3A:
undetectable		 4xeyB-3ut3A:
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.
3vfd SPASTIN

(Homo sapiens) 		PF00004
(AAA)
PF09336
(Vps4_C) 		3 MET A 390
ASP A 334
PHE A 404
 None
 0.99A 4xeyB-3vfdA:
undetectable		 4xeyB-3vfdA:
23.20
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.
4a0l CULLIN-4B

(Homo sapiens) 		PF00888
(Cullin)
PF10557
(Cullin_Nedd8) 		3 MET E 586
ASP E 521
PHE E 522
 None
 0.90A 4xeyB-4a0lE:
undetectable		 4xeyB-4a0lE:
19.30
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.
4g7e UREASE

(Cajanus cajan) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		3 MET B 376
ASP B 356
PHE B 306
 None
 1.03A 4xeyB-4g7eB:
undetectable		 4xeyB-4g7eB:
18.09
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.
4gwn MEPRIN A SUBUNIT
BETA

(Homo sapiens) 		PF00629
(MAM)
PF01400
(Astacin) 		3 MET A 302
ASP A 578
PHE A 437
 None
 0.98A 4xeyB-4gwnA:
undetectable		 4xeyB-4gwnA:
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.
4ijr D-ARABINOSE
DEHYDROGENASE
[NAD(P)+] HEAVY
CHAIN

(Saccharomyces
cerevisiae) 		PF00248
(Aldo_ket_red) 		3 MET A 224
ASP A 311
PHE A 312
 None
 1.04A 4xeyB-4ijrA:
undetectable		 4xeyB-4ijrA:
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.
4mup AMIDOHYDROLASE

(Agrobacterium
fabrum) 		PF04909
(Amidohydro_2) 		3 MET A 145
ASP A 172
PHE A 171
 None
 0.90A 4xeyB-4mupA:
undetectable		 4xeyB-4mupA:
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.
4my5 PUTATIVE AMINO ACID
AMINOTRANSFERASE

(Streptococcus
mutans) 		PF00155
(Aminotran_1_2) 		3 MET A  18
ASP A 334
PHE A 338
 None
 0.77A 4xeyB-4my5A:
undetectable		 4xeyB-4my5A:
24.39
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.
4ny4 CYTOCHROME P450 3A4

(Homo sapiens) 		PF00067
(p450) 		3 MET A 371
ASP A 214
PHE A 213
 None
None
2QH  A 602 (-4.2A)
 0.97A 4xeyB-4ny4A:
undetectable		 4xeyB-4ny4A:
21.66
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.
4toq CLASS III CHITINASE

(Punica granatum) 		PF00704
(Glyco_hydro_18) 		3 MET A 255
ASP A 125
PHE A 124
 None
 0.84A 4xeyB-4toqA:
undetectable		 4xeyB-4toqA:
22.34
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.
4u14 MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M3,ENDOLYSIN,MUSCARI
NIC ACETYLCHOLINE
RECEPTOR M3

(Escherichia
virus T4;
Rattus
norvegicus) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		3 MET A1001
ASP A 164
PHE A 163
 None
 0.98A 4xeyB-4u14A:
2.7		 4xeyB-4u14A:
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.
4wgx MOLINATE HYDROLASE

(Gulosibacter
molinativorax) 		PF01979
(Amidohydro_1) 		3 MET A 155
ASP A 174
PHE A 177
 None
 0.99A 4xeyB-4wgxA:
undetectable		 4xeyB-4wgxA:
20.64
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.
4xj5 CYCLIC AMP-GMP
SYNTHASE

(Vibrio cholerae) 		no annotation 3 MET A  19
ASP A 118
PHE A 115
 None
EDO  A1008 (-3.7A)
EDO  A1008 (-4.2A)
 1.07A 4xeyB-4xj5A:
undetectable		 4xeyB-4xj5A:
21.75
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.
4xpd N-TERMINAL
ACETYLTRANSFERASE A
COMPLEX SUBUNIT NAT1

(Saccharomyces
cerevisiae) 		PF12569
(NARP1) 		3 MET A 751
ASP A 717
PHE A 720
 None
 0.91A 4xeyB-4xpdA:
undetectable		 4xeyB-4xpdA:
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.
4xsv ETHANOLAMINE-PHOSPHA
TE
CYTIDYLYLTRANSFERASE

(Homo sapiens) 		PF01467
(CTP_transf_like) 		3 MET A  33
ASP A 223
PHE A 222
 None
None
C5P  A 401 (-3.9A)
 1.06A 4xeyB-4xsvA:
undetectable		 4xeyB-4xsvA:
23.24
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.
4y05 KINESIN-LIKE PROTEIN
KIF2C

(Homo sapiens) 		PF00225
(Kinesin) 		3 MET A 451
ASP A 411
PHE A 402
 None
 1.04A 4xeyB-4y05A:
undetectable		 4xeyB-4y05A:
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.
4y05 KINESIN-LIKE PROTEIN
KIF2C

(Homo sapiens) 		PF00225
(Kinesin) 		3 MET A 451
ASP A 411
PHE A 410
 None
 1.00A 4xeyB-4y05A:
undetectable		 4xeyB-4y05A:
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.
4z5y COENZYME PQQ
SYNTHESIS PROTEIN B

(Pseudomonas
putida) 		PF12706
(Lactamase_B_2) 		3 MET A 113
ASP A 174
PHE A 173
 None
 1.06A 4xeyB-4z5yA:
undetectable		 4xeyB-4z5yA:
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.
5a3f DYNAMIN 3

(Homo sapiens) 		PF00169
(PH)
PF00350
(Dynamin_N)
PF01031
(Dynamin_M)
PF02212
(GED) 		3 MET A 676
ASP A 685
PHE A 686
 None
 1.04A 4xeyB-5a3fA:
undetectable		 4xeyB-5a3fA:
20.42
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.
5bo1 PROTEIN JAGGED-1

(Homo sapiens) 		PF00008
(EGF)
PF01414
(DSL) 		3 MET A 221
ASP A 205
PHE A 206
 None
 1.07A 4xeyB-5bo1A:
undetectable		 4xeyB-5bo1A:
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.
5e24 SUPPRESSOR OF
HAIRLESS PROTEIN

(Drosophila
melanogaster) 		PF09270
(BTD)
PF09271
(LAG1-DNAbind) 		3 MET E 110
ASP E 119
PHE E 414
 None
 1.02A 4xeyB-5e24E:
undetectable		 4xeyB-5e24E:
19.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fku DNA POLYMERASE III
SUBUNIT ALPHA

(Escherichia
coli) 		PF01336
(tRNA_anti-codon)
PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		3 MET A 469
ASP A1058
PHE A1059
 None
 1.03A 4xeyB-5fkuA:
0.2		 4xeyB-5fkuA:
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.
5h3x FIBRONECTIN/FIBRINOG
EN BINDING PROTEIN

(Streptococcus
suis) 		PF05833
(FbpA) 		3 MET A  11
ASP A 262
PHE A 263
 None
 1.01A 4xeyB-5h3xA:
undetectable		 4xeyB-5h3xA:
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.
5hyd PROTEIN S100-Z

(Homo sapiens) 		PF01023
(S_100) 		3 MET A  78
ASP A  71
PHE A  27
 None
 0.81A 4xeyB-5hydA:
undetectable		 4xeyB-5hydA:
13.75
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.
5i6h ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01039
(Carboxyl_trans)
PF08326
(ACC_central) 		3 MET A1174
ASP A1164
PHE A1165
 None
 1.04A 4xeyB-5i6hA:
1.2		 4xeyB-5i6hA:
13.76
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.
5jqk PEPTIDASE, PUTATIVE

(Plasmodium
falciparum) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N)
PF16188
(Peptidase_M24_C)
PF16189
(Creatinase_N_2) 		3 MET A 714
ASP A 710
PHE A 709
 None
 0.92A 4xeyB-5jqkA:
undetectable		 4xeyB-5jqkA:
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.
5k9t PROTEIN TRANSLOCASE
SUBUNIT SECA

(Escherichia
coli) 		PF01043
(SecA_PP_bind)
PF07517
(SecA_DEAD) 		3 MET A  92
ASP A  85
PHE A  84
 None
None
ADP  A 901 (-3.4A)
 0.99A 4xeyB-5k9tA:
undetectable		 4xeyB-5k9tA:
22.43
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.
5m8h ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Psychrobacter
arcticus) 		PF13393
(tRNA-synt_His) 		3 MET A 367
ASP A 329
PHE A 333
 None
 1.05A 4xeyB-5m8hA:
1.2		 4xeyB-5m8hA:
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.
5men PROTEIN TRAV22,HUMAN
NKT TCR ALPHA CHAIN

(Homo sapiens) 		PF07686
(V-set)
PF09291
(DUF1968) 		3 MET D 163
ASP D 138
PHE D 139
 None
 1.05A 4xeyB-5menD:
undetectable		 4xeyB-5menD:
19.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mio KINESIN-LIKE PROTEIN
KIF2C,KIF2C FUSED TO
A DARPIN,KIF2C FUSED
TO A DARPIN

(Homo sapiens) 		PF00023
(Ank)
PF00225
(Kinesin)
PF12796
(Ank_2) 		3 MET C 451
ASP C 411
PHE C 402
 None
 0.95A 4xeyB-5mioC:
undetectable		 4xeyB-5mioC:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mio KINESIN-LIKE PROTEIN
KIF2C,KIF2C FUSED TO
A DARPIN,KIF2C FUSED
TO A DARPIN

(Homo sapiens) 		PF00023
(Ank)
PF00225
(Kinesin)
PF12796
(Ank_2) 		3 MET C 451
ASP C 411
PHE C 410
 None
 0.96A 4xeyB-5mioC:
undetectable		 4xeyB-5mioC:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mju EXCITATORY AMINO
ACID TRANSPORTER
1,NEUTRAL AMINO ACID
TRANSPORTER
B(0),EXCITATORY
AMINO ACID
TRANSPORTER 1

(Homo sapiens) 		PF00375
(SDF) 		3 MET A 379
ASP A 456
PHE A 458
 7O9  A 602 (-4.3A)
7O9  A 602 (-3.5A)
None
 1.01A 4xeyB-5mjuA:
undetectable		 4xeyB-5mjuA:
22.81
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.
5n4l CERULOPLASMIN

(Rattus
norvegicus) 		no annotation 3 MET A 728
ASP A 744
PHE A 742
 None
 0.92A 4xeyB-5n4lA:
undetectable		 4xeyB-5n4lA:
12.81
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.
5tz8 GLYCOSYL TRANSFERASE

(Staphylococcus
aureus) 		PF00535
(Glycos_transf_2) 		3 MET A 225
ASP A 178
PHE A 181
 None
 0.93A 4xeyB-5tz8A:
undetectable		 4xeyB-5tz8A:
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.
5tzk GLYCOSYL TRANSFERASE

(Staphylococcus
aureus) 		PF00535
(Glycos_transf_2) 		3 MET C 225
ASP C 178
PHE C 181
 None
SO4  C 406 ( 4.6A)
None
 0.96A 4xeyB-5tzkC:
undetectable		 4xeyB-5tzkC:
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.
5u3c CTP SYNTHASE

(Escherichia
coli) 		PF00117
(GATase)
PF06418
(CTP_synth_N) 		3 MET A  52
ASP A  70
PHE A  61
 None
 0.98A 4xeyB-5u3cA:
undetectable		 4xeyB-5u3cA:
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.
5v54 5-HYDROXYTRYPTAMINE
RECEPTOR 1B,OB-1
FUSED 5-HT1B
RECEPTOR,5-HYDROXYTR
YPTAMINE RECEPTOR 1B

(Homo sapiens;
Spodoptera
frugiperda) 		no annotation 3 MET A 337
ASP A 352
PHE A 353
 None
 1.03A 4xeyB-5v54A:
4.2		 4xeyB-5v54A:
12.37
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.
5vpu 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Acinetobacter
baumannii) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		3 MET A  72
ASP A  83
PHE A  84
 None
None
EDO  A 607 ( 4.7A)
 0.81A 4xeyB-5vpuA:
undetectable		 4xeyB-5vpuA:
21.94
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.
5whs CATALASE-PEROXIDASE

(Neurospora
crassa) 		no annotation 3 MET A 394
ASP A 349
PHE A 348
 None
 0.87A 4xeyB-5whsA:
undetectable		 4xeyB-5whsA:
12.34
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.
5ww1 PULULLANASE

(Paenibacillus
barengoltzii) 		no annotation 3 MET A 406
ASP A 373
PHE A 372
 GLC  A 702 ( 4.0A)
None
None
 1.06A 4xeyB-5ww1A:
undetectable		 4xeyB-5ww1A:
13.32
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.
6cnh SERINE/THREONINE-PRO
TEIN KINASE PRP4
HOMOLOG

(Homo sapiens) 		no annotation 3 MET A 985
ASP A 978
PHE A1002
 None
 1.02A 4xeyB-6cnhA:
20.6		 4xeyB-6cnhA:
13.25
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.
6evj RNA-DIRECTED RNA
POLYMERASE CATALYTIC
SUBUNIT

(Influenza A
virus) 		no annotation 3 MET B 711
ASP B 165
PHE B 166
 None
 0.97A 4xeyB-6evjB:
undetectable		 4xeyB-6evjB:
11.52
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.
6grw -

(-) 		no annotation 3 MET A  89
ASP A 253
PHE A  84
 None
 0.93A 4xeyB-6grwA:
undetectable		 4xeyB-6grwA:
undetectable