SIMILAR PATTERNS OF AMINO ACIDS FOR 3W9T_B_W9TB504_1

List of similar pattern of amino acids derived from ASSAM search

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

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

(Escherichia
coli) 		PF03590
(AsnA) 		4 ASP A 118
GLU A 120
GLY A 293
GLN A 116
 ASN  A 331 (-3.3A)
None
ASN  A 331 (-4.0A)
ASN  A 331 ( 3.5A)
 1.38A 3w9tB-12asA:
0.0		 3w9tB-12asA:
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.
1d5t GUANINE NUCLEOTIDE
DISSOCIATION
INHIBITOR

(Bos taurus) 		PF00996
(GDI) 		4 ASP A 283
GLU A  42
GLY A  41
TYR A 286
 None
 1.23A 3w9tB-1d5tA:
0.0		 3w9tB-1d5tA:
22.78
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.
1hc7 PROLYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		4 ASP A 275
GLU A 340
GLY A 278
GLN A  10
 None
 1.27A 3w9tB-1hc7A:
0.0		 3w9tB-1hc7A:
18.85
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.
1i9s MRNA CAPPING ENZYME

(Mus musculus) 		PF00782
(DSPc) 		4 ASP A 168
GLU A  96
GLY A  95
TYR A 169
 None
 0.95A 3w9tB-1i9sA:
0.0		 3w9tB-1i9sA:
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.
1jdz 5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE

(Sulfolobus
solfataricus) 		PF01048
(PNP_UDP_1) 		4 GLU A  55
GLY A  54
TYR A  52
GLN A  34
 None
 1.21A 3w9tB-1jdzA:
0.0		 3w9tB-1jdzA:
19.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ks5 ENDOGLUCANASE A

(Aspergillus
niger) 		PF01670
(Glyco_hydro_12) 		4 GLU A 116
GLY A 113
TYR A 115
GLN A 194
 None
 1.44A 3w9tB-1ks5A:
0.0		 3w9tB-1ks5A:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qc5 PROTEIN (ALPHA1
BETA1 INTEGRIN)

(Homo sapiens) 		PF00092
(VWA) 		4 ASP B 334
GLU B 426
GLY B 429
GLN B 370
 None
 1.42A 3w9tB-1qc5B:
0.0		 3w9tB-1qc5B:
18.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vcl HEMOLYTIC LECTIN
CEL-III

(Cucumaria
echinata) 		PF00652
(Ricin_B_lectin) 		5 ASP A 121
GLU A 123
GLY A 124
TYR A 134
GLN A 137
 CA  A1002 (-2.8A)
None
CA  A1002 (-4.3A)
None
CA  A1002 ( 4.5A)
 0.75A 3w9tB-1vclA:
31.7		 3w9tB-1vclA:
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.
1w85 PYRUVATE
DEHYDROGENASE E1
COMPONENT, BETA
SUBUNIT

(Geobacillus
stearothermophilus) 		PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 ASP B 130
GLU B 126
TYR B 298
GLN B 263
 None
 1.36A 3w9tB-1w85B:
0.0		 3w9tB-1w85B:
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.
1w8x PROTEIN P31

(Salmonella
virus PRD1) 		PF08948
(DUF1859) 		4 ASP N  48
GLU N  22
GLY N  23
GLN N  25
 None
 1.24A 3w9tB-1w8xN:
undetectable		 3w9tB-1w8xN:
14.58
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.
2c3o PYRUVATE-FERREDOXIN
OXIDOREDUCTASE

(Desulfovibrio
africanus) 		PF01558
(POR)
PF01855
(POR_N)
PF02775
(TPP_enzyme_C)
PF10371
(EKR)
PF13484
(Fer4_16)
PF17147
(PFOR_II) 		4 GLU A 230
GLY A 228
TYR A 225
GLN A 220
 None
 0.84A 3w9tB-2c3oA:
undetectable		 3w9tB-2c3oA:
16.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cuw PURS

(Thermus
thermophilus) 		PF02700
(PurS) 		4 ASP A  18
GLU A  11
GLY A  41
GLN A  20
 None
 1.32A 3w9tB-2cuwA:
undetectable		 3w9tB-2cuwA:
14.53
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.
2d5l DIPEPTIDYL
AMINOPEPTIDASE IV,
PUTATIVE

(Porphyromonas
gingivalis) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 ASP A 358
GLU A 380
GLY A 379
GLN A 375
 None
 1.21A 3w9tB-2d5lA:
undetectable		 3w9tB-2d5lA:
19.21
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.
2d7n FILAMIN-C

(Homo sapiens) 		PF00630
(Filamin) 		4 ASP A  42
GLU A  23
GLY A  22
GLN A  20
 None
 1.47A 3w9tB-2d7nA:
undetectable		 3w9tB-2d7nA:
12.63
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.
2jb1 L-AMINO ACID OXIDASE

(Rhodococcus
opacus) 		PF01593
(Amino_oxidase) 		4 ASP A 358
GLY A 237
TYR A 357
GLN A 103
 None
 1.15A 3w9tB-2jb1A:
undetectable		 3w9tB-2jb1A:
20.70
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.
2jf4 PERIPLASMIC
TREHALASE

(Escherichia
coli) 		PF01204
(Trehalase) 		4 ASP A 160
GLU A 496
TYR A 157
GLN A 207
 VDM  A1548 (-3.0A)
None
VDM  A1548 (-3.7A)
VDM  A1548 (-3.3A)
 1.02A 3w9tB-2jf4A:
undetectable		 3w9tB-2jf4A:
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.
2nrk HYPOTHETICAL PROTEIN
GRPB

(Enterococcus
faecalis) 		PF04229
(GrpB) 		4 ASP A  64
GLU A  80
GLY A  79
GLN A  67
 None
 1.29A 3w9tB-2nrkA:
undetectable		 3w9tB-2nrkA:
18.06
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.
2oby PUTATIVE QUINONE
OXIDOREDUCTASE

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 ASP A  43
GLU A  64
GLY A  62
GLN A  46
 None
 1.21A 3w9tB-2obyA:
undetectable		 3w9tB-2obyA:
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.
2oqc PENICILLIN V ACYLASE

(Bacillus
subtilis) 		PF02275
(CBAH) 		4 GLU A  28
GLY A  26
TYR A 278
GLN A 277
 None
 1.15A 3w9tB-2oqcA:
undetectable		 3w9tB-2oqcA:
20.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pbl PUTATIVE
ESTERASE/LIPASE/THIO
ESTERASE

(Ruegeria sp.
TM1040) 		PF07859
(Abhydrolase_3) 		4 GLU A  46
GLY A  47
TYR A  44
GLN A 114
 None
 1.49A 3w9tB-2pblA:
undetectable		 3w9tB-2pblA:
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.
2xe5 OUTER MEMBRANE PORIN
C

(Escherichia
coli) 		PF00267
(Porin_1) 		4 ASP A 202
GLU A 159
GLY A 160
GLN A 172
 None
 1.35A 3w9tB-2xe5A:
undetectable		 3w9tB-2xe5A:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z1a 5'-NUCLEOTIDASE

(Thermus
thermophilus) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		4 GLU A 220
GLY A 217
TYR A 218
GLN A 273
 None
 1.29A 3w9tB-2z1aA:
undetectable		 3w9tB-2z1aA:
22.13
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.
3a18 ALDOXIME DEHYDRATASE

(Rhodococcus
erythropolis) 		PF13816
(Dehydratase_hem) 		4 ASP A  86
GLY A 340
TYR A  90
GLN A  49
 None
 1.13A 3w9tB-3a18A:
undetectable		 3w9tB-3a18A:
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.
3dwb ENDOTHELIN-CONVERTIN
G ENZYME 1

(Homo sapiens) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		4 ASP A 371
GLU A 373
TYR A 374
GLN A 257
 None
 1.44A 3w9tB-3dwbA:
undetectable		 3w9tB-3dwbA:
19.38
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.
3h4h COPPER-CONTAINING
NITRITE REDUCTASE

(Alcaligenes
faecalis) 		PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3) 		4 GLU A 239
GLY A 238
TYR A 293
GLN A 296
 None
 1.43A 3w9tB-3h4hA:
undetectable		 3w9tB-3h4hA:
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.
3hbu SECRETED PROTEASE C

(Dickeya
chrysanthemi) 		PF00353
(HemolysinCabind)
PF00413
(Peptidase_M10)
PF08548
(Peptidase_M10_C) 		4 GLU P 179
GLY P 182
TYR P 242
GLN P 184
 None
 1.44A 3w9tB-3hbuP:
undetectable		 3w9tB-3hbuP:
22.55
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.
3kh8 MAOC-LIKE
DEHYDRATASE

(Phytophthora
capsici) 		PF01575
(MaoC_dehydratas)
PF13452
(MaoC_dehydrat_N) 		4 GLU A 264
GLY A 265
TYR A 290
GLN A 292
 None
 1.24A 3w9tB-3kh8A:
undetectable		 3w9tB-3kh8A:
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.
3m50 N.PLUMBAGINIFOLIA
H+-TRANSLOCATING
ATPASE MRNA

(Nicotiana
plumbaginifolia) 		no annotation 4 GLU P 928
GLY P 934
TYR P 954
GLN P 952
 None
 1.35A 3w9tB-3m50P:
undetectable		 3w9tB-3m50P:
5.60
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.
3o0t SERINE/THREONINE-PRO
TEIN PHOSPHATASE
PGAM5, MITOCHONDRIAL

(Homo sapiens) 		PF00300
(His_Phos_1) 		4 ASP A 200
GLU A 177
TYR A 197
GLN A 196
 None
PO4  A   1 (-3.4A)
None
None
 0.96A 3w9tB-3o0tA:
undetectable		 3w9tB-3o0tA:
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.
3t2c FRUCTOSE-1,6-BISPHOS
PHATE
ALDOLASE/PHOSPHATASE

(Pyrobaculum
neutrophilum) 		PF01950
(FBPase_3) 		4 ASP A  44
GLU A 315
TYR A 313
GLN A  37
 None
 1.44A 3w9tB-3t2cA:
undetectable		 3w9tB-3t2cA:
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.
3tef IRON(III) ABC
TRANSPORTER,
PERIPLASMIC
IRON-COMPOUND-BINDIN
G PROTEIN

(Vibrio cholerae) 		PF01497
(Peripla_BP_2) 		4 ASP A 233
GLU A 164
GLY A 161
TYR A 162
 None
 1.21A 3w9tB-3tefA:
undetectable		 3w9tB-3tefA:
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.
3trb VIRULENCE-ASSOCIATED
PROTEIN I

(Coxiella
burnetii) 		PF01381
(HTH_3) 		4 GLU A  13
GLY A  12
TYR A  77
GLN A  74
 None
 1.19A 3w9tB-3trbA:
undetectable		 3w9tB-3trbA:
12.98
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.
3u0f BETA-KETOACYL
SYNTHASE

(Brucella
abortus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 ASP A 263
GLU A 273
GLY A 272
TYR A 265
 None
 1.33A 3w9tB-3u0fA:
undetectable		 3w9tB-3u0fA:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ua4 PROTEIN ARGININE
N-METHYLTRANSFERASE
5

(Caenorhabditis
elegans) 		PF05185
(PRMT5)
PF17285
(PRMT5_TIM)
PF17286
(PRMT5_C) 		4 GLU A 728
GLY A 564
TYR A 580
GLN A 578
 None
 1.45A 3w9tB-3ua4A:
undetectable		 3w9tB-3ua4A:
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.
4amc GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70) 		4 ASP A1477
GLU A1482
GLY A1479
TYR A1556
 None
 1.18A 3w9tB-4amcA:
undetectable		 3w9tB-4amcA:
16.99
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.
4bi9 3-KETOACYL-COA
THIOLASE, PUTATIVE

(Trypanosoma
brucei) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		4 GLU A 408
GLY A 407
TYR A 409
GLN A 401
 None
 1.35A 3w9tB-4bi9A:
undetectable		 3w9tB-4bi9A:
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.
4bkx HISTONE DEACETYLASE
1

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		4 GLU B 184
GLY B 180
TYR B 172
GLN B 260
 None
 1.49A 3w9tB-4bkxB:
undetectable		 3w9tB-4bkxB:
20.39
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.
4fuw PROTEIN SLM4

(Saccharomyces
cerevisiae) 		PF16818
(SLM4) 		4 ASP A 117
GLU A 155
GLY A 153
TYR A 150
 None
 1.30A 3w9tB-4fuwA:
undetectable		 3w9tB-4fuwA:
15.31
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.
4g76 PHOSPHODIESTERASE

(Pseudomonas
aeruginosa) 		PF14859
(Colicin_M) 		4 ASP A  96
GLY A 140
TYR A 142
GLN A  99
 None
 1.22A 3w9tB-4g76A:
undetectable		 3w9tB-4g76A:
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.
4ohn ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Streptococcus
pneumoniae) 		PF00497
(SBP_bac_3) 		4 GLU A  74
GLY A  77
TYR A  76
GLN A  36
 None
 1.45A 3w9tB-4ohnA:
undetectable		 3w9tB-4ohnA:
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.
4pic ARGININE PHOSPHATASE
YWLE

(Geobacillus
stearothermophilus) 		PF01451
(LMWPc) 		4 GLU A  31
GLY A  29
TYR A   2
GLN A 147
 None
 1.34A 3w9tB-4picA:
undetectable		 3w9tB-4picA:
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.
4xox 3-OXOACYL-ACP
SYNTHASE

(Vibrio cholerae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 ASP A 263
GLU A 273
GLY A 272
TYR A 265
 None
 1.22A 3w9tB-4xoxA:
undetectable		 3w9tB-4xoxA:
23.92
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.
4yte H(2)-FORMING
METHYLENETETRAHYDROM
ETHANOPTERIN
DEHYDROGENASE-RELATE
D PROTEIN MJ0715

(Methanocaldococcus
jannaschii) 		no annotation 4 GLU A  38
GLY A  34
TYR A  30
GLN A  11
 None
 1.34A 3w9tB-4yteA:
undetectable		 3w9tB-4yteA:
16.74
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.
4ywe PUTATIVE ALDEHYDE
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00171
(Aldedh) 		4 GLU A 445
GLY A 443
TYR A 109
GLN A 154
 None
 1.41A 3w9tB-4yweA:
undetectable		 3w9tB-4yweA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c2v HYDRAZINE SYNTHASE
ALPHA SUBUNIT

(Candidatus
Kuenenia
stuttgartiensis) 		no annotation 4 GLU A 381
GLY A 361
TYR A 364
GLN A 339
 None
 0.87A 3w9tB-5c2vA:
undetectable		 3w9tB-5c2vA:
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.
5d7w SERRALYSIN

(Serratia
marcescens) 		PF00353
(HemolysinCabind)
PF00413
(Peptidase_M10)
PF08548
(Peptidase_M10_C) 		4 ASP A 168
GLU A 167
GLY A 170
TYR A 230
 ASP  A 168 (-0.6A)
GLU  A 167 ( 0.6A)
GLY  A 170 ( 0.0A)
TYR  A 230 (-1.3A)
 1.21A 3w9tB-5d7wA:
undetectable		 3w9tB-5d7wA:
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.
5d7w SERRALYSIN

(Serratia
marcescens) 		PF00353
(HemolysinCabind)
PF00413
(Peptidase_M10)
PF08548
(Peptidase_M10_C) 		4 GLU A 167
GLY A 170
TYR A 230
GLN A 172
 GLU  A 167 ( 0.6A)
GLY  A 170 ( 0.0A)
TYR  A 230 (-1.3A)
GLN  A 172 ( 0.6A)
 1.46A 3w9tB-5d7wA:
undetectable		 3w9tB-5d7wA:
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.
5dqf SERUM ALBUMIN

(Equus caballus) 		PF00273
(Serum_albumin) 		4 GLU A 494
GLY A 495
TYR A 496
GLN A 416
 None
 1.42A 3w9tB-5dqfA:
undetectable		 3w9tB-5dqfA:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gm3 ENDOGLUCANASE-1

(Aspergillus
aculeatus) 		PF01670
(Glyco_hydro_12) 		4 GLU A 118
GLY A 115
TYR A 117
GLN A 192
 None
 1.47A 3w9tB-5gm3A:
undetectable		 3w9tB-5gm3A:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gw7 GLUCOSIDASE YGJK

(Escherichia
coli) 		PF01204
(Trehalase) 		4 GLU A 697
GLY A 700
TYR A 699
GLN A 642
 None
 1.40A 3w9tB-5gw7A:
undetectable		 3w9tB-5gw7A:
19.56
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.
5h83 HETEROYOHIMBINE
SYNTHASE HYS

(Catharanthus
roseus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 ASP A  54
GLU A  74
GLY A  72
TYR A  53
 None
ZN  A 901 (-2.9A)
None
None
 1.23A 3w9tB-5h83A:
undetectable		 3w9tB-5h83A:
19.59
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.
5hmq 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE

(Pseudomonas
putida) 		PF00903
(Glyoxalase)
PF01261
(AP_endonuc_2)
PF14696
(Glyoxalase_5) 		4 ASP A 578
GLU A 583
GLY A 581
GLN A 580
 None
 1.26A 3w9tB-5hmqA:
undetectable		 3w9tB-5hmqA:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i3o BMP-2-INDUCIBLE
PROTEIN KINASE

(Homo sapiens) 		PF00069
(Pkinase) 		4 ASP A 161
GLY A 192
TYR A 194
GLN A 157
 None
 1.17A 3w9tB-5i3oA:
undetectable		 3w9tB-5i3oA:
18.41
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.
5o0s GLUCOSYLCERAMIDASE

(Thermoanaerobacterium
xylanolyticum) 		PF04685
(DUF608)
PF12215
(Glyco_hydr_116N)
PF17168
(DUF5127) 		4 GLU A 132
GLY A 131
TYR A 107
GLN A 110
 None
 1.33A 3w9tB-5o0sA:
undetectable		 3w9tB-5o0sA:
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.
5opj RHAMNOGALACTURONAN
LYASE

(Bacteroides
thetaiotaomicron) 		no annotation 4 ASP A  49
GLU A 423
GLY A 421
GLN A 386
 None
 1.25A 3w9tB-5opjA:
undetectable		 3w9tB-5opjA:
14.97
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.
5v5s OUTER MEMBRANE
PROTEIN TOLC

(Escherichia
coli) 		PF02321
(OEP) 		4 ASP A 101
GLU A  16
TYR A  98
GLN A  94
 None
 1.25A 3w9tB-5v5sA:
undetectable		 3w9tB-5v5sA:
24.19
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.
5y29 INSECT GROUP II
CHITINASE

(Ostrinia
furnacalis) 		no annotation 4 ASP A1886
GLU A1889
GLY A1888
GLN A1808
 None
 1.32A 3w9tB-5y29A:
undetectable		 3w9tB-5y29A:
12.46
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.
5yy3 -

(-) 		no annotation 4 ASP A 171
GLU A 533
GLY A 532
TYR A 170
 None
 1.36A 3w9tB-5yy3A:
undetectable		 3w9tB-5yy3A:
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.
6cv9 SHORT TRANSIENT
RECEPTOR POTENTIAL
CHANNEL 6

(Mus musculus) 		no annotation 4 ASP A 203
GLU A 210
GLY A 212
TYR A 206
 None
 1.08A 3w9tB-6cv9A:
undetectable		 3w9tB-6cv9A:
10.62
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.
6f42 DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC1

(Saccharomyces
cerevisiae) 		no annotation 4 GLU A1084
GLY A1086
TYR A 900
GLN A 899
 None
 0.95A 3w9tB-6f42A:
undetectable		 3w9tB-6f42A:
11.78