SIMILAR PATTERNS OF AMINO ACIDS FOR 3U9F_G_CLMG221

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.
1dmw PHENYLALANINE
HYDROXYLASE

(Homo sapiens) 		PF00351
(Biopterin_H) 		5 THR A 238
SER A 295
LEU A 213
VAL A 291
CYH A 217
 None
 1.27A 3u9fG-1dmwA:
0.0
3u9fH-1dmwA:
0.0		 3u9fG-1dmwA:
19.63
3u9fH-1dmwA:
19.63
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.
1gng GLYCOGEN SYNTHASE
KINASE-3 BETA

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A 247
PHE A 339
VAL A 158
PHE A 305
CYH A 317
 None
 1.49A 3u9fG-1gngA:
0.0
3u9fH-1gngA:
0.0		 3u9fG-1gngA:
16.62
3u9fH-1gngA:
16.62
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.
1lnl HEMOCYANIN

(Rapana venosa) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 PHE A 219
TYR A 170
LEU A 247
VAL A  60
PHE A 272
 None
 1.21A 3u9fG-1lnlA:
0.0
3u9fH-1lnlA:
0.0		 3u9fG-1lnlA:
19.21
3u9fH-1lnlA:
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.
1lrh AUXIN-BINDING
PROTEIN 1

(Zea mays) 		PF02041
(Auxin_BP) 		5 THR A  54
VAL A 121
ALA A 128
CYH A  61
HIS A  59
 NLA  A5190 (-4.2A)
None
None
None
ZN  A 180 ( 3.5A)
 1.24A 3u9fG-1lrhA:
0.0
3u9fH-1lrhA:
0.0		 3u9fG-1lrhA:
18.92
3u9fH-1lrhA:
18.92
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.
1m54 CYSTATHIONINE
BETA-SYNTHASE

(Homo sapiens) 		PF00291
(PALP) 		5 SER A 326
SER A 254
LEU A 374
ALA A 335
CYH A 346
 None
PLP  A1110 ( 4.3A)
None
None
None
 1.29A 3u9fG-1m54A:
0.0
3u9fH-1m54A:
0.0		 3u9fG-1m54A:
19.73
3u9fH-1m54A:
19.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pd5 CHLORAMPHENICOL
ACETYLTRANSFERASE

(Escherichia
coli) 		PF00302
(CAT) 		8 THR A  93
PHE A 102
SER A 104
TYR A 133
SER A 146
LEU A 158
PHE A 166
VAL A 170
 None
 0.66A 3u9fG-1pd5A:
34.3
3u9fH-1pd5A:
34.3		 3u9fG-1pd5A:
100.00
3u9fH-1pd5A:
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.
1thg LIPASE 2

(Galactomyces
candidus) 		PF00135
(COesterase) 		5 PHE A 358
LEU A 467
VAL A 134
ALA A 218
HIS A 463
 None
 1.46A 3u9fG-1thgA:
0.0
3u9fH-1thgA:
0.0		 3u9fG-1thgA:
17.57
3u9fH-1thgA:
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.
1u08 HYPOTHETICAL
AMINOTRANSFERASE
YBDL

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		5 THR A 171
SER A 201
LEU A 224
VAL A 199
ALA A 187
 None
 1.34A 3u9fG-1u08A:
1.5
3u9fH-1u08A:
0.0		 3u9fG-1u08A:
20.78
3u9fH-1u08A:
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.
1vpa 2-C-METHYL-D-ERYTHRI
TOL 4-PHOSPHATE
CYTIDYLYLTRANSFERASE

(Thermotoga
maritima) 		PF01128
(IspD) 		5 THR A  38
PHE A  39
SER A  42
LEU A 128
ALA A 160
 None
 1.40A 3u9fG-1vpaA:
0.0
3u9fH-1vpaA:
0.0		 3u9fG-1vpaA:
19.28
3u9fH-1vpaA:
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.
1zgd CHALCONE REDUCTASE

(Medicago sativa) 		PF00248
(Aldo_ket_red) 		5 SER A  27
SER A  86
LEU A 111
VAL A  84
ALA A  67
 NAP  A 755 (-4.9A)
None
None
None
None
 1.05A 3u9fG-1zgdA:
undetectable
3u9fH-1zgdA:
undetectable		 3u9fG-1zgdA:
20.70
3u9fH-1zgdA:
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.
2erv HYPOTHETICAL PROTEIN
PAER03002360

(Pseudomonas
aeruginosa) 		PF09411
(PagL) 		5 THR A  10
SER A 141
LEU A  98
VAL A  93
ALA A  86
 None
 1.46A 3u9fG-2ervA:
undetectable
3u9fH-2ervA:
undetectable		 3u9fG-2ervA:
20.71
3u9fH-2ervA:
20.71
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.
2f2a GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Staphylococcus
aureus) 		PF01425
(Amidase) 		5 THR A 106
PHE A 201
SER A 105
TYR A 103
SER A 199
 None
 1.48A 3u9fG-2f2aA:
undetectable
3u9fH-2f2aA:
undetectable		 3u9fG-2f2aA:
16.46
3u9fH-2f2aA:
16.46
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.
2f3o PYRUVATE
FORMATE-LYASE 2

(Archaeoglobus
fulgidus) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 THR A 437
PHE A 537
SER A 435
TYR A 535
ALA A 418
 None
 1.39A 3u9fG-2f3oA:
undetectable
3u9fH-2f3oA:
undetectable		 3u9fG-2f3oA:
15.08
3u9fH-2f3oA:
15.08
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.
2k3d LIN0334 PROTEIN

(Listeria
innocua) 		PF07252
(DUF1433) 		5 PHE A  80
PHE A  37
VAL A  35
PHE A  70
ALA A  63
 None
 1.43A 3u9fG-2k3dA:
undetectable
3u9fH-2k3dA:
undetectable		 3u9fG-2k3dA:
15.07
3u9fH-2k3dA:
15.07
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.
2k78 IRON-REGULATED
SURFACE DETERMINANT
PROTEIN C

(Staphylococcus
aureus) 		PF05031
(NEAT) 		5 SER A  82
TYR A 140
VAL A 119
PHE A  53
ALA A  49
 None
None
None
ZNH  A 151 (-3.6A)
ZNH  A 151 (-3.9A)
 1.15A 3u9fG-2k78A:
undetectable
3u9fH-2k78A:
undetectable		 3u9fG-2k78A:
20.64
3u9fH-2k78A:
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.
2oew PROGRAMMED CELL
DEATH 6-INTERACTING
PROTEIN

(Homo sapiens) 		PF03097
(BRO1) 		5 SER A 132
LEU A 237
VAL A 241
PHE A 125
ALA A  98
 None
 1.41A 3u9fG-2oewA:
undetectable
3u9fH-2oewA:
undetectable		 3u9fG-2oewA:
16.15
3u9fH-2oewA:
16.15
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.
2ogr FLUORESCENT PROTEIN
FP538

(Zoanthus sp.) 		PF01353
(GFP) 		5 THR A 142
SER A  57
PHE A  99
ALA A 103
CYH A 105
 None
 1.22A 3u9fG-2ogrA:
undetectable
3u9fH-2ogrA:
undetectable		 3u9fG-2ogrA:
20.86
3u9fH-2ogrA:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qma DIAMINOBUTYRATE-PYRU
VATE TRANSAMINASE
AND
L-2,4-DIAMINOBUTYRAT
E DECARBOXYLASE

(Vibrio
parahaemolyticus) 		PF00282
(Pyridoxal_deC) 		5 THR A 675
SER A 679
LEU A 797
ALA A 639
HIS A 753
 None
 1.44A 3u9fG-2qmaA:
1.6
3u9fH-2qmaA:
1.5		 3u9fG-2qmaA:
18.38
3u9fH-2qmaA:
18.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r05 PROGRAMMED CELL
DEATH 6-INTERACTING
PROTEIN

(Homo sapiens) 		PF03097
(BRO1)
PF13949
(ALIX_LYPXL_bnd) 		5 SER A 132
LEU A 237
VAL A 241
PHE A 125
ALA A  98
 None
 1.37A 3u9fG-2r05A:
undetectable
3u9fH-2r05A:
undetectable		 3u9fG-2r05A:
14.59
3u9fH-2r05A:
14.59
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.
2ra1 SURFACE LAYER
PROTEIN

(Geobacillus
stearothermophilus) 		PF13205
(Big_5) 		5 SER A 350
PHE A 275
VAL A 334
PHE A 279
ALA A 318
 None
 1.31A 3u9fG-2ra1A:
undetectable
3u9fH-2ra1A:
undetectable		 3u9fG-2ra1A:
20.19
3u9fH-2ra1A:
20.19
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.
2rjt BETA-KETOACYL-ACP
SYNTHASE II

(Streptococcus
pneumoniae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 THR A  14
PHE A  57
SER A 235
PHE A 151
PHE A  63
 None
 1.33A 3u9fG-2rjtA:
undetectable
3u9fH-2rjtA:
undetectable		 3u9fG-2rjtA:
18.18
3u9fH-2rjtA:
18.18
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.
2wqd PHOSPHOENOLPYRUVATE-
PROTEIN
PHOSPHOTRANSFERASE

(Staphylococcus
aureus) 		PF00391
(PEP-utilizers)
PF02896
(PEP-utilizers_C)
PF05524
(PEP-utilisers_N) 		5 THR A 110
LEU A  82
VAL A 135
PHE A  45
ALA A  48
 None
 1.37A 3u9fG-2wqdA:
undetectable
3u9fH-2wqdA:
undetectable		 3u9fG-2wqdA:
18.15
3u9fH-2wqdA:
18.15
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.
2zyg 6-PHOSPHOGLUCONATE
DEHYDROGENASE,
DECARBOXYLATING

(Klebsiella
pneumoniae) 		PF00393
(6PGD)
PF03446
(NAD_binding_2) 		5 THR A 218
LEU A 203
PHE A 421
VAL A 321
ALA A 198
 None
 1.37A 3u9fG-2zygA:
undetectable
3u9fH-2zygA:
undetectable		 3u9fG-2zygA:
16.77
3u9fH-2zygA:
16.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ezs AMINOTRANSFERASE
ASPB

(Helicobacter
pylori) 		PF00155
(Aminotran_1_2) 		5 PHE A  70
PHE A 219
PHE A 241
ALA A 243
HIS A 226
 None
 1.40A 3u9fG-3ezsA:
1.3
3u9fH-3ezsA:
1.2		 3u9fG-3ezsA:
20.63
3u9fH-3ezsA:
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.
3g0i EPOXIDE HYDROLASE

(Aspergillus
niger) 		PF06441
(EHN) 		5 TYR A 251
LEU A 215
PHE A 196
PHE A 244
CYH A 350
 VPR  A   1 (-4.2A)
VPR  A   1 ( 4.4A)
VPR  A   1 (-4.3A)
VPR  A   1 ( 4.7A)
VPR  A   1 ( 4.4A)
 1.36A 3u9fG-3g0iA:
undetectable
3u9fH-3g0iA:
undetectable		 3u9fG-3g0iA:
19.89
3u9fH-3g0iA:
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.
3h14 AMINOTRANSFERASE,
CLASSES I AND II

(Ruegeria
pomeroyi) 		PF00155
(Aminotran_1_2) 		5 THR A 144
LEU A 178
PHE A 197
VAL A 167
ALA A 185
 None
None
None
GOL  A 502 (-3.9A)
None
 1.37A 3u9fG-3h14A:
1.2
3u9fH-3h14A:
undetectable		 3u9fG-3h14A:
20.72
3u9fH-3h14A:
20.72
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.
3lp8 PHOSPHORIBOSYLAMINE-
GLYCINE LIGASE

(Ehrlichia
chaffeensis) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 THR A 311
PHE A  90
LEU A 300
VAL A 321
PHE A 288
 None
 1.10A 3u9fG-3lp8A:
undetectable
3u9fH-3lp8A:
undetectable		 3u9fG-3lp8A:
17.42
3u9fH-3lp8A:
17.42
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.
3mc2 INHIBITOR OF
CARBONIC ANHYDRASE

(Mus musculus) 		PF00405
(Transferrin) 		5 THR A 375
SER A 592
LEU A 604
PHE A 633
VAL A 590
 None
 1.06A 3u9fG-3mc2A:
undetectable
3u9fH-3mc2A:
undetectable		 3u9fG-3mc2A:
14.91
3u9fH-3mc2A:
14.91
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.
3o82 PEPTIDE ARYLATION
ENZYME

(Acinetobacter
baumannii) 		PF00501
(AMP-binding) 		5 PHE A 272
LEU A 310
PHE A 317
VAL A 325
ALA A 289
 None
 1.22A 3u9fG-3o82A:
undetectable
3u9fH-3o82A:
undetectable		 3u9fG-3o82A:
17.72
3u9fH-3o82A:
17.72
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.
3rmh YEAST CDC13 OB4

([Candida]
glabrata) 		no annotation 5 PHE A 696
LEU A 706
VAL A 655
PHE A 685
CYH A 726
 None
 1.26A 3u9fG-3rmhA:
undetectable
3u9fH-3rmhA:
undetectable		 3u9fG-3rmhA:
20.56
3u9fH-3rmhA:
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.
3tlm SARCOPLASMIC/ENDOPLA
SMIC RETICULUM
CALCIUM ATPASE 1

(Bos taurus) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF08282
(Hydrolase_3)
PF13246
(Cation_ATPase) 		5 LEU A 690
VAL A 347
PHE A 675
ALA A 672
CYH A 669
 None
 1.50A 3u9fG-3tlmA:
undetectable
3u9fH-3tlmA:
undetectable		 3u9fG-3tlmA:
11.85
3u9fH-3tlmA:
11.85
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.
3wew HTDX DEHYDRATASE

(Mycobacterium
tuberculosis) 		PF01575
(MaoC_dehydratas) 		5 PHE A  37
PHE A  55
VAL A  97
ALA A  60
HIS A  62
 None
 1.38A 3u9fG-3wewA:
undetectable
3u9fH-3wewA:
undetectable		 3u9fG-3wewA:
19.77
3u9fH-3wewA:
19.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4boc DNA-DIRECTED RNA
POLYMERASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00940
(RNA_pol)
PF14700
(RPOL_N) 		5 SER A 924
PHE A1217
VAL A1222
ALA A 932
HIS A 930
 None
 0.89A 3u9fG-4bocA:
undetectable
3u9fH-4bocA:
undetectable		 3u9fG-4bocA:
10.89
3u9fH-4bocA:
10.89
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.
4br6 SUPEROXIDE DISMUTASE

(Chaetomium
thermophilum) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		5 SER A 135
LEU A 129
PHE A 104
PHE A 194
ALA A  99
 None
 1.21A 3u9fG-4br6A:
undetectable
3u9fH-4br6A:
undetectable		 3u9fG-4br6A:
21.70
3u9fH-4br6A:
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.
4ch7 NIRD-LIKE PROTEIN

(Hydrogenobacter
thermophilus) 		no annotation 5 SER A 268
LEU A 306
VAL A 238
PHE A 101
ALA A  70
 None
 1.34A 3u9fG-4ch7A:
undetectable
3u9fH-4ch7A:
undetectable		 3u9fG-4ch7A:
19.94
3u9fH-4ch7A:
19.94
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.
4cvu BETA-MANNOSIDASE

(Trichoderma
harzianum) 		PF00703
(Glyco_hydro_2) 		5 SER A 424
LEU A 516
PHE A 460
VAL A 464
PHE A 490
 None
 1.44A 3u9fG-4cvuA:
undetectable
3u9fH-4cvuA:
undetectable		 3u9fG-4cvuA:
12.82
3u9fH-4cvuA:
12.82
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.
4eys MCCC FAMILY PROTEIN

(Streptococcus
pneumoniae) 		PF02016
(Peptidase_S66) 		5 LEU A 280
PHE A 201
VAL A 308
PHE A 339
ALA A 328
 None
 1.37A 3u9fG-4eysA:
undetectable
3u9fH-4eysA:
undetectable		 3u9fG-4eysA:
21.19
3u9fH-4eysA:
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.
4eyu LYSINE-SPECIFIC
DEMETHYLASE 6B

(Mus musculus) 		PF02373
(JmjC) 		5 SER A1398
PHE A1454
VAL A1462
ALA A1412
HIS A1390
 OGA  A1700 (-2.8A)
None
None
None
NI  A1701 ( 3.3A)
 1.32A 3u9fG-4eyuA:
undetectable
3u9fH-4eyuA:
undetectable		 3u9fG-4eyuA:
16.46
3u9fH-4eyuA:
16.46
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.
4j38 OUTER SURFACE
PROTEIN E

(Borreliella
burgdorferi) 		PF02471
(OspE) 		5 THR A  74
LEU A 166
VAL A  46
PHE A 144
ALA A 160
 None
 1.46A 3u9fG-4j38A:
undetectable
3u9fH-4j38A:
undetectable		 3u9fG-4j38A:
21.76
3u9fH-4j38A:
21.76
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.
4j7m PROTEIN DOM3Z

(Mus musculus) 		PF08652
(RAI1) 		5 LEU A 160
PHE A 353
VAL A 342
PHE A 373
ALA A 152
 None
 1.27A 3u9fG-4j7mA:
undetectable
3u9fH-4j7mA:
undetectable		 3u9fG-4j7mA:
17.59
3u9fH-4j7mA:
17.59
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.
4l27 CYSTATHIONINE
BETA-SYNTHASE

(Homo sapiens) 		no annotation 5 SER B 254
LEU B 374
VAL B 372
ALA B 335
CYH B 346
 PLP  B 601 ( 3.9A)
None
None
None
None
 1.48A 3u9fG-4l27B:
undetectable
3u9fH-4l27B:
undetectable		 3u9fG-4l27B:
16.33
3u9fH-4l27B:
16.33
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.
4lg6 ANKYRIN REPEAT
FAMILY A PROTEIN 2

(Homo sapiens) 		PF12796
(Ank_2) 		5 SER A 270
LEU A 219
VAL A 241
ALA A 255
CYH A 223
 None
 1.27A 3u9fG-4lg6A:
undetectable
3u9fH-4lg6A:
undetectable		 3u9fG-4lg6A:
22.17
3u9fH-4lg6A:
22.17
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.
4m5d RIBOSOMAL
RNA-PROCESSING
PROTEIN 7

(Saccharomyces
cerevisiae) 		PF12923
(RRP7) 		5 LEU B 141
PHE B  70
VAL B  16
PHE B 128
CYH B 137
 None
 1.50A 3u9fG-4m5dB:
undetectable
3u9fH-4m5dB:
undetectable		 3u9fG-4m5dB:
22.15
3u9fH-4m5dB:
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.
4mn0 BEROVIN

(Beroe
abyssicola) 		PF10591
(SPARC_Ca_bdg) 		5 PHE A 188
SER A 132
VAL A 136
PHE A 157
ALA A 156
 None
 1.22A 3u9fG-4mn0A:
undetectable
3u9fH-4mn0A:
undetectable		 3u9fG-4mn0A:
20.73
3u9fH-4mn0A:
20.73
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.
4p72 PHENYLALANINE--TRNA
LIGASE BETA SUBUNIT

(Pseudomonas
aeruginosa) 		PF01588
(tRNA_bind)
PF03147
(FDX-ACB)
PF03483
(B3_4)
PF03484
(B5) 		5 LEU A 206
VAL A 204
PHE A 337
ALA A 335
CYH A 212
 None
 1.27A 3u9fG-4p72A:
3.8
3u9fH-4p72A:
3.7		 3u9fG-4p72A:
13.31
3u9fH-4p72A:
13.31
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.
4uj6 SURFACE LAYER
PROTEIN

(Geobacillus
stearothermophilus) 		PF13205
(Big_5) 		5 SER A 350
PHE A 275
VAL A 334
PHE A 279
ALA A 318
 None
 1.26A 3u9fG-4uj6A:
undetectable
3u9fH-4uj6A:
undetectable		 3u9fG-4uj6A:
12.90
3u9fH-4uj6A:
12.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uug AMINE TRANSAMINASE

(Aspergillus
fumigatus) 		PF01063
(Aminotran_4) 		5 THR A 238
SER A 241
VAL A 245
ALA A   2
HIS A 309
 PXG  A 401 (-3.5A)
None
None
None
FMT  A 403 (-3.8A)
 1.42A 3u9fG-4uugA:
undetectable
3u9fH-4uugA:
undetectable		 3u9fG-4uugA:
18.79
3u9fH-4uugA:
18.79
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.
4wqm TOLUENE-4-MONOOXYGEN
ASE ELECTRON
TRANSFER COMPONENT

(Pseudomonas
mendocina) 		PF00111
(Fer2)
PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 PHE A  32
LEU A  84
VAL A  53
PHE A  13
ALA A  15
 None
 1.37A 3u9fG-4wqmA:
undetectable
3u9fH-4wqmA:
undetectable		 3u9fG-4wqmA:
18.51
3u9fH-4wqmA:
18.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xdt FAD:PROTEIN FMN
TRANSFERASE

(Treponema
pallidum) 		PF02424
(ApbE) 		5 SER A 322
LEU A 302
VAL A 308
ALA A 287
CYH A 290
 None
None
EDO  A 410 ( 4.3A)
MG  A 402 ( 4.8A)
None
 1.35A 3u9fG-4xdtA:
undetectable
3u9fH-4xdtA:
undetectable		 3u9fG-4xdtA:
19.12
3u9fH-4xdtA:
19.12
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.
4ypt REPLICASE
POLYPROTEIN 1AB

(Murine
coronavirus) 		PF08715
(Viral_protease) 		5 THR A1814
LEU A1790
VAL A1835
PHE A1840
CYH A1788
 None
 1.40A 3u9fG-4yptA:
undetectable
3u9fH-4yptA:
undetectable		 3u9fG-4yptA:
18.49
3u9fH-4yptA:
18.49
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.
5ahk ACETOLACTATE
SYNTHASE II, LARGE
SUBUNIT

(Pseudomonas
protegens) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 SER A 284
LEU A 214
VAL A 242
ALA A 299
CYH A 276
 FAD  A 701 (-3.6A)
None
None
None
None
 1.39A 3u9fG-5ahkA:
undetectable
3u9fH-5ahkA:
undetectable		 3u9fG-5ahkA:
15.61
3u9fH-5ahkA:
15.61
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.
5d7z LACTOYLGLUTATHIONE
LYASE

(Zea mays) 		PF00903
(Glyoxalase) 		5 THR A 231
TYR A 198
SER A 237
PHE A 171
VAL A 241
 None
 1.43A 3u9fG-5d7zA:
undetectable
3u9fH-5d7zA:
undetectable		 3u9fG-5d7zA:
21.07
3u9fH-5d7zA:
21.07
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.
5ey9 LONG-CHAIN-FATTY-ACI
D--AMP LIGASE FADD32

(Mycobacterium
marinum) 		PF00501
(AMP-binding) 		5 LEU A 615
VAL A 588
PHE A 518
ALA A 516
CYH A 606
 None
 1.41A 3u9fG-5ey9A:
undetectable
3u9fH-5ey9A:
undetectable		 3u9fG-5ey9A:
15.10
3u9fH-5ey9A:
15.10
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.
5fic SPHINGOMYELIN
PHOSPHODIESTERASE

(Mus musculus) 		PF00149
(Metallophos) 		5 SER A 197
PHE A 452
VAL A 199
ALA A 449
HIS A 507
 None
 1.22A 3u9fG-5ficA:
undetectable
3u9fH-5ficA:
undetectable		 3u9fG-5ficA:
17.51
3u9fH-5ficA:
17.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gs0 TOLL-LIKE RECEPTOR 3

(Homo sapiens) 		PF13516
(LRR_6)
PF13855
(LRR_8) 		5 PHE A 333
SER A 332
SER A 389
LEU A 384
PHE A 351
 None
 1.35A 3u9fG-5gs0A:
undetectable
3u9fH-5gs0A:
undetectable		 3u9fG-5gs0A:
16.09
3u9fH-5gs0A:
16.09
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.
5ijg CYS/MET METABOLISM
PYRIDOXAL-PHOSPHATE-
DEPENDENT ENZYME

(Brucella
melitensis) 		PF01053
(Cys_Met_Meta_PP) 		5 SER A 100
LEU A 234
PHE A 118
VAL A 260
PHE A 104
 None
 1.41A 3u9fG-5ijgA:
undetectable
3u9fH-5ijgA:
undetectable		 3u9fG-5ijgA:
17.95
3u9fH-5ijgA:
17.95
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.
5j84 DIHYDROXY-ACID
DEHYDRATASE

(Rhizobium
leguminosarum) 		PF00920
(ILVD_EDD) 		5 SER A 350
SER A 221
LEU A 333
VAL A 358
ALA A 346
 None
 1.36A 3u9fG-5j84A:
undetectable
3u9fH-5j84A:
undetectable		 3u9fG-5j84A:
16.43
3u9fH-5j84A:
16.43
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.
5nbq OUTER SURFACE
PROTEIN E

(Borreliella
burgdorferi) 		no annotation 5 THR G  74
PHE G  86
LEU G 166
VAL G  46
PHE G 144
 None
 1.28A 3u9fG-5nbqG:
undetectable
3u9fH-5nbqG:
undetectable		 3u9fG-5nbqG:
undetectable
3u9fH-5nbqG:
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.
5v54 5-HYDROXYTRYPTAMINE
RECEPTOR 1B,OB-1
FUSED 5-HT1B
RECEPTOR,5-HYDROXYTR
YPTAMINE RECEPTOR 1B

(Spodoptera
frugiperda;
Homo sapiens) 		no annotation 5 THR A  63
SER A 362
SER A  99
VAL A 102
ALA A 135
 None
 1.43A 3u9fG-5v54A:
undetectable
3u9fH-5v54A:
undetectable		 3u9fG-5v54A:
undetectable
3u9fH-5v54A:
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.
5xzq HYDROXYNITRILE LYASE

(Passiflora
edulis) 		no annotation 5 PHE A  68
SER A  66
PHE A  91
VAL A  99
ALA A  83
 None
 1.17A 3u9fG-5xzqA:
undetectable
3u9fH-5xzqA:
undetectable		 3u9fG-5xzqA:
18.10
3u9fH-5xzqA:
18.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yfb DIPEPTIDYL PEPTIDASE
3

(Armillaria
tabescens) 		no annotation 5 PHE A 399
LEU A 352
VAL A 507
PHE A 363
ALA A 345
 None
 1.16A 3u9fG-5yfbA:
undetectable
3u9fH-5yfbA:
undetectable		 3u9fG-5yfbA:
undetectable
3u9fH-5yfbA:
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.
6coy CHLORIDE CHANNEL
PROTEIN 1

(Homo sapiens) 		no annotation 5 THR A 539
SER A 537
TYR A 578
SER A 541
PHE A 279
 None
 1.36A 3u9fG-6coyA:
undetectable
3u9fH-6coyA:
undetectable		 3u9fG-6coyA:
undetectable
3u9fH-6coyA:
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.
6es1 SYNAPTIC VESICLE
GLYCOPROTEIN 2C

(Homo sapiens) 		no annotation 5 THR B 530
PHE B 507
SER B 527
PHE B 557
PHE B 522
 None
 1.45A 3u9fG-6es1B:
undetectable
3u9fH-6es1B:
undetectable		 3u9fG-6es1B:
undetectable
3u9fH-6es1B:
undetectable