SIMILAR PATTERNS OF AMINO ACIDS FOR 4QOI_B_ML1B303_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.
13pk 3-PHOSPHOGLYCERATE
KINASE

(Trypanosoma
brucei) 		PF00162
(PGK) 		5 GLY A 216
GLY A 240
ILE A 214
GLY A 375
PHE A 344
 None
None
None
ADP  A 421 (-3.3A)
None
 1.13A 4qoiA-13pkA:
3.3
4qoiB-13pkA:
3.3		 4qoiA-13pkA:
21.18
4qoiB-13pkA:
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.
1cov COXSACKIEVIRUS COAT
PROTEIN

(Enterovirus B) 		PF00073
(Rhv) 		5 GLY 3 187
GLY 3 188
GLY 3 112
ILE 3 168
PHE 3  95
 None
 1.02A 4qoiA-1cov3:
undetectable
4qoiB-1cov3:
undetectable		 4qoiA-1cov3:
24.54
4qoiB-1cov3:
24.54
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.
1gvz KALLIKREIN-1E2

(Equus caballus) 		PF00089
(Trypsin) 		5 GLY A 196
GLY A 197
GLY A 216
ILE A 190
PHE A 228
 None
 1.14A 4qoiA-1gvzA:
undetectable
4qoiB-1gvzA:
undetectable		 4qoiA-1gvzA:
22.10
4qoiB-1gvzA:
22.10
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.
1itk CATALASE-PEROXIDASE

(Haloarcula
marismortui) 		PF00141
(peroxidase) 		5 GLY A 258
GLY A 257
GLY A  87
ILE A 161
PHE A 166
 HEM  A 800 (-3.6A)
None
None
None
None
 0.78A 4qoiA-1itkA:
undetectable
4qoiB-1itkA:
undetectable		 4qoiA-1itkA:
16.33
4qoiB-1itkA:
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.
1iwp GLYCEROL DEHYDRATASE
ALPHA SUBUNIT

(Klebsiella
pneumoniae) 		PF02286
(Dehydratase_LU) 		5 GLY A 400
GLY A 399
MET A 354
ILE A 542
PHE A 385
 None
 1.18A 4qoiA-1iwpA:
undetectable
4qoiB-1iwpA:
undetectable		 4qoiA-1iwpA:
19.18
4qoiB-1iwpA:
19.18
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.
1j93 UROPORPHYRINOGEN
DECARBOXYLASE

(Nicotiana
tabacum) 		PF01208
(URO-D) 		5 GLY A  76
ILE A  78
GLY A 293
PHE A 343
PHE A 344
 None
 1.18A 4qoiA-1j93A:
undetectable
4qoiB-1j93A:
undetectable		 4qoiA-1j93A:
21.33
4qoiB-1j93A:
21.33
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.
1jmm PROTEIN I/II
V-REGION

(Streptococcus
mutans) 		PF08363
(GbpC) 		5 GLY A 821
GLY A 620
ILE A 623
PHE A 678
PHE A 688
 None
 0.98A 4qoiA-1jmmA:
undetectable
4qoiB-1jmmA:
undetectable		 4qoiA-1jmmA:
21.04
4qoiB-1jmmA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jsw L-ASPARTATE
AMMONIA-LYASE

(Escherichia
coli) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		5 GLY A 201
ILE A 184
GLY A 393
ILE A 312
PHE A 207
 None
 1.16A 4qoiA-1jswA:
undetectable
4qoiB-1jswA:
undetectable		 4qoiA-1jswA:
18.69
4qoiB-1jswA:
18.69
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.
1k77 HYPOTHETICAL PROTEIN
YGBM

(Escherichia
coli) 		PF01261
(AP_endonuc_2) 		5 GLY A 238
MET A  11
ILE A 205
GLY A 235
PHE A  29
 None
 1.13A 4qoiA-1k77A:
undetectable
4qoiB-1k77A:
undetectable		 4qoiA-1k77A:
21.45
4qoiB-1k77A:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1miq PLASMEPSIN

(Plasmodium
vivax) 		PF00026
(Asp) 		5 GLY A 216
MET A 306
ILE A 300
PHE A 313
PHE A 154
 None
 1.10A 4qoiA-1miqA:
undetectable
4qoiB-1miqA:
undetectable		 4qoiA-1miqA:
20.11
4qoiB-1miqA:
20.11
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.
1ng0 COAT PROTEIN

(Cocksfoot
mottle virus) 		PF00729
(Viral_coat) 		5 GLY A 161
GLY A 162
GLY A 127
PHE A  76
ILE A 129
 GLY  A 161 ( 0.0A)
GLY  A 162 ( 0.0A)
GLY  A 127 ( 0.0A)
PHE  A  76 ( 1.3A)
ILE  A 129 ( 0.7A)
 1.16A 4qoiA-1ng0A:
undetectable
4qoiB-1ng0A:
undetectable		 4qoiA-1ng0A:
20.99
4qoiB-1ng0A:
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.
1txz HYPOTHETICAL 32.1
KDA PROTEIN IN
ADH3-RCA1 INTERGENIC
REGION

(Saccharomyces
cerevisiae) 		PF14519
(Macro_2) 		5 ILE A 189
GLY A  79
PHE A 106
ILE A 143
PHE A 102
 None
APR  A 285 (-3.6A)
None
None
None
 1.01A 4qoiA-1txzA:
undetectable
4qoiB-1txzA:
undetectable		 4qoiA-1txzA:
21.33
4qoiB-1txzA:
21.33
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.
1uhw PLECKSTRIN

(Mus musculus) 		PF00610
(DEP) 		5 GLY A  42
GLY A  40
ILE A  44
GLY A  21
PHE A 101
 None
 1.13A 4qoiA-1uhwA:
undetectable
4qoiB-1uhwA:
undetectable		 4qoiA-1uhwA:
18.34
4qoiB-1uhwA:
18.34
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.
1v19 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Thermus
thermophilus) 		PF00294
(PfkB) 		5 GLY A  33
GLY A  34
GLY A  62
PHE A  79
PHE A  52
 None
 1.17A 4qoiA-1v19A:
4.4
4qoiB-1v19A:
4.4		 4qoiA-1v19A:
25.55
4qoiB-1v19A:
25.55
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.
1vbl PECTATE LYASE 47

(Bacillus sp.
TS-47) 		PF00544
(Pec_lyase_C) 		5 GLY A 147
GLY A 148
MET A 127
ILE A 145
GLY A 210
 None
 1.16A 4qoiA-1vblA:
undetectable
4qoiB-1vblA:
undetectable		 4qoiA-1vblA:
21.39
4qoiB-1vblA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w61 B-CELL MITOGEN

(Trypanosoma
cruzi) 		PF05544
(Pro_racemase) 		5 GLY A 301
GLY A 303
GLY A 367
GLN A 334
PHE A 323
 PYC  A 700 (-3.7A)
None
None
None
None
 1.14A 4qoiA-1w61A:
undetectable
4qoiB-1w61A:
undetectable		 4qoiA-1w61A:
20.43
4qoiB-1w61A:
20.43
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.
1xvt CROTONOBETAINYL-COA:
CARNITINE
COA-TRANSFERASE

(Escherichia
coli) 		PF02515
(CoA_transf_3) 		5 GLY A 173
ILE A 198
GLY A  21
ILE A  93
PHE A  33
 None
 0.82A 4qoiA-1xvtA:
4.4
4qoiB-1xvtA:
4.4		 4qoiA-1xvtA:
22.60
4qoiB-1xvtA:
22.60
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.
1z81 CYCLOPHILIN

(Plasmodium
yoelii) 		PF00160
(Pro_isomerase) 		5 GLY A 106
GLY A 107
ILE A  94
PHE A  59
PHE A  73
 None
 1.06A 4qoiA-1z81A:
undetectable
4qoiB-1z81A:
undetectable		 4qoiA-1z81A:
20.49
4qoiB-1z81A:
20.49
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.
2b5m DAMAGE-SPECIFIC DNA
BINDING PROTEIN 1

(Homo sapiens) 		PF03178
(CPSF_A)
PF10433
(MMS1_N) 		5 GLY A 132
MET A 130
ILE A 178
GLY A 138
PHE A 155
 None
 1.09A 4qoiA-2b5mA:
undetectable
4qoiB-2b5mA:
undetectable		 4qoiA-2b5mA:
11.32
4qoiB-2b5mA:
11.32
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.
2b5m DAMAGE-SPECIFIC DNA
BINDING PROTEIN 1

(Homo sapiens) 		PF03178
(CPSF_A)
PF10433
(MMS1_N) 		5 MET A 130
ILE A 178
GLY A 138
ILE A 157
PHE A 155
 None
 0.97A 4qoiA-2b5mA:
undetectable
4qoiB-2b5mA:
undetectable		 4qoiA-2b5mA:
11.32
4qoiB-2b5mA:
11.32
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.
2epk N-ACETYL-BETA-D-GLUC
OSAMINIDASE

(Streptococcus
gordonii) 		PF00728
(Glyco_hydro_20) 		5 GLY X 378
GLY X 379
ILE X 559
PHE X 543
PHE X 343
 None
 1.08A 4qoiA-2epkX:
undetectable
4qoiB-2epkX:
undetectable		 4qoiA-2epkX:
16.69
4qoiB-2epkX:
16.69
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.
2g39 ACETYL-COA HYDROLASE

(Pseudomonas
aeruginosa) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		5 GLY A 382
GLY A 381
GLN A 291
ILE A 264
PHE A  36
 ACY  A 901 (-3.8A)
ACY  A 901 (-3.5A)
None
ACY  A 901 (-4.1A)
None
 1.15A 4qoiA-2g39A:
undetectable
4qoiB-2g39A:
undetectable		 4qoiA-2g39A:
18.46
4qoiB-2g39A:
18.46
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.
2gq3 MALATE SYNTHASE G

(Mycobacterium
tuberculosis) 		PF01274
(Malate_synthase) 		5 GLY A 500
ILE A 456
GLY A 507
ILE A 100
PHE A  98
 None
 0.94A 4qoiA-2gq3A:
undetectable
4qoiB-2gq3A:
undetectable		 4qoiA-2gq3A:
15.31
4qoiB-2gq3A:
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.
2i14 NICOTINATE-NUCLEOTID
E PYROPHOSPHORYLASE

(Pyrococcus
furiosus) 		PF01729
(QRPTase_C)
PF02749
(QRPTase_N) 		5 GLY A 289
GLY A 290
ILE A 292
GLY A 161
ILE A 147
 PCP  A 392 (-3.3A)
PCP  A 392 (-3.6A)
None
None
None
 1.09A 4qoiA-2i14A:
undetectable
4qoiB-2i14A:
undetectable		 4qoiA-2i14A:
20.65
4qoiB-2i14A:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jty TYPE-1 FIMBRIAL
PROTEIN, A CHAIN

(Escherichia
coli) 		PF00419
(Fimbrial) 		5 GLY A 172
GLY A 173
PHE A 133
ILE A  56
PHE A  73
 None
 0.97A 4qoiA-2jtyA:
undetectable
4qoiB-2jtyA:
undetectable		 4qoiA-2jtyA:
24.76
4qoiB-2jtyA:
24.76
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.
2lbp LEUCINE-BINDING
PROTEIN

(Escherichia
coli) 		PF13458
(Peripla_BP_6) 		5 GLY A 161
ILE A 132
GLY A 200
PHE A 172
ILE A 143
 None
 1.17A 4qoiA-2lbpA:
4.3
4qoiB-2lbpA:
4.4		 4qoiA-2lbpA:
21.94
4qoiB-2lbpA:
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.
2pbi GUANINE
NUCLEOTIDE-BINDING
PROTEIN SUBUNIT BETA
5
REGULATOR OF
G-PROTEIN SIGNALING
9

(Mus musculus) 		PF00400
(WD40)
PF00610
(DEP)
PF00615
(RGS)
PF00631
(G-gamma) 		5 GLY A  74
ILE A  83
PHE A  16
ILE A  20
PHE B 284
 None
 1.17A 4qoiA-2pbiA:
undetectable
4qoiB-2pbiA:
undetectable		 4qoiA-2pbiA:
19.11
4qoiB-2pbiA:
19.11
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.
2phc UNCHARACTERIZED
PROTEIN PH0987

(Pyrococcus
horikoshii) 		PF02682
(CT_C_D) 		5 GLY B  97
GLY B  94
ILE B 100
GLY B 159
PHE B 216
 None
 1.15A 4qoiA-2phcB:
undetectable
4qoiB-2phcB:
undetectable		 4qoiA-2phcB:
22.99
4qoiB-2phcB:
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.
2qw8 EUGENOL SYNTHASE 1

(Ocimum
basilicum) 		PF05368
(NmrA) 		5 GLY A  15
GLY A  14
GLY A  26
ILE A  80
PHE A 112
 None
NAP  A 401 ( 3.7A)
None
None
None
 0.97A 4qoiA-2qw8A:
7.5
4qoiB-2qw8A:
8.0		 4qoiA-2qw8A:
22.53
4qoiB-2qw8A:
22.53
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.
2ri6 2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE

(Paraburkholderia
xenovorans) 		PF12697
(Abhydrolase_6) 		5 GLY A  42
GLY A  43
GLY A 139
ILE A 153
PHE A 239
 MLI  A   2 (-3.5A)
MLI  A   2 (-3.5A)
None
None
None
 1.10A 4qoiA-2ri6A:
2.6
4qoiB-2ri6A:
4.1		 4qoiA-2ri6A:
21.93
4qoiB-2ri6A:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v7z HEAT SHOCK COGNATE
71 KDA PROTEIN

(Rattus
norvegicus) 		PF00012
(HSP70) 		5 GLY A 229
GLY A 230
GLY A 312
PHE A 198
ILE A 346
 None
ADP  A1383 (-3.6A)
None
None
None
 1.18A 4qoiA-2v7zA:
undetectable
4qoiB-2v7zA:
undetectable		 4qoiA-2v7zA:
18.57
4qoiB-2v7zA:
18.57
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.
2vvx PROTEIN A52

(Vaccinia virus) 		PF06227
(Poxvirus) 		5 TRP A 148
GLY A 139
ILE A  83
GLY A  68
PHE A 115
 None
 1.18A 4qoiA-2vvxA:
undetectable
4qoiB-2vvxA:
undetectable		 4qoiA-2vvxA:
21.03
4qoiB-2vvxA:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ys6 PHOSPHORIBOSYLGLYCIN
AMIDE SYNTHETASE

(Geobacillus
kaustophilus) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 GLY A  10
GLY A   9
ILE A  37
PHE A 288
ILE A  15
 None
 1.14A 4qoiA-2ys6A:
2.7
4qoiB-2ys6A:
3.0		 4qoiA-2ys6A:
18.70
4qoiB-2ys6A:
18.70
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.
2zl5 58 KD CAPSID PROTEIN

(Norwalk virus) 		PF00915
(Calici_coat)
PF08435
(Calici_coat_C) 		5 GLY A 325
GLY A 324
ILE A 376
GLY A 384
GLN A 386
 ACT  A 521 (-3.3A)
ACT  A 521 (-3.4A)
None
None
None
 1.15A 4qoiA-2zl5A:
undetectable
4qoiB-2zl5A:
undetectable		 4qoiA-2zl5A:
20.54
4qoiB-2zl5A:
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.
3ayd GALECTIN-3

(Homo sapiens) 		PF00337
(Gal-bind_lectin) 		5 GLY A 125
MET A 130
GLY A 152
GLN A 150
PHE A 149
 None
 1.15A 4qoiA-3aydA:
undetectable
4qoiB-3aydA:
undetectable		 4qoiA-3aydA:
16.32
4qoiB-3aydA:
16.32
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.
3bhn THIJ/PFPI DOMAIN
PROTEIN

(Shewanella
loihica) 		PF01965
(DJ-1_PfpI) 		5 GLY A 102
ILE A  99
GLY A   5
PHE A   9
PHE A  83
 None
None
None
None
EDO  A 219 ( 4.2A)
 0.99A 4qoiA-3bhnA:
5.3
4qoiB-3bhnA:
5.2		 4qoiA-3bhnA:
22.96
4qoiB-3bhnA:
22.96
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.
3cgd PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE,
CLASS I

(Bacillus
anthracis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A 159
GLY A 158
MET A 178
GLY A 328
PHE A 332
 NAD  A 818 (-3.2A)
NAD  A 818 ( 4.3A)
None
NAD  A 818 ( 4.7A)
None
 1.04A 4qoiA-3cgdA:
undetectable
4qoiB-3cgdA:
undetectable		 4qoiA-3cgdA:
18.28
4qoiB-3cgdA:
18.28
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.
3fk3 PROTEIN AF-9 HOMOLOG

(Saccharomyces
cerevisiae) 		PF03366
(YEATS) 		5 ILE A  96
GLY A  49
ILE A  59
PHE A 100
PHE A 155
 None
 1.17A 4qoiA-3fk3A:
undetectable
4qoiB-3fk3A:
undetectable		 4qoiA-3fk3A:
19.41
4qoiB-3fk3A:
19.41
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.
3fk3 PROTEIN AF-9 HOMOLOG

(Saccharomyces
cerevisiae) 		PF03366
(YEATS) 		5 ILE A  96
GLY A  49
PHE A  58
ILE A  59
PHE A 155
 None
 1.07A 4qoiA-3fk3A:
undetectable
4qoiB-3fk3A:
undetectable		 4qoiA-3fk3A:
19.41
4qoiB-3fk3A:
19.41
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.
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus dulcis) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 GLY A 506
ILE A 254
GLY A 472
PHE A 490
PHE A 501
 None
None
None
MXN  A 531 (-3.7A)
MXN  A 531 (-3.8A)
 1.11A 4qoiA-3gdnA:
undetectable
4qoiB-3gdnA:
2.5		 4qoiA-3gdnA:
18.60
4qoiB-3gdnA:
18.60
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.
3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT

(Eubacterium
barkeri) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 GLY A 240
GLY A 241
GLY B 288
GLN B  47
ILE B  45
 MOS  B 920 ( 3.3A)
None
MCN  B 921 (-3.6A)
MCN  B 921 (-3.8A)
MCN  B 921 (-3.9A)
 1.19A 4qoiA-3hrdA:
undetectable
4qoiB-3hrdA:
undetectable		 4qoiA-3hrdA:
21.41
4qoiB-3hrdA:
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.
3hrd NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT

(Eubacterium
barkeri) 		PF02738
(Ald_Xan_dh_C2) 		5 GLY B  81
GLY B  82
ILE B  92
GLY B  50
GLN B  47
 None
None
None
None
MCN  B 921 (-3.8A)
 1.18A 4qoiA-3hrdB:
undetectable
4qoiB-3hrdB:
undetectable		 4qoiA-3hrdB:
20.90
4qoiB-3hrdB:
20.90
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.
3ht4 ALUMINUM RESISTANCE
PROTEIN

(Bacillus cereus) 		PF06838
(Met_gamma_lyase) 		5 GLY A 236
GLY A 237
ILE A 378
GLY A 229
PHE A  78
 None
 1.13A 4qoiA-3ht4A:
2.1
4qoiB-3ht4A:
2.2		 4qoiA-3ht4A:
21.43
4qoiB-3ht4A:
21.43
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.
3iox AGI/II

(Streptococcus
mutans) 		PF06696
(Strep_SA_rep)
PF08363
(GbpC) 		5 GLY A 821
GLY A 620
ILE A 623
PHE A 678
PHE A 688
 None
 1.00A 4qoiA-3ioxA:
undetectable
4qoiB-3ioxA:
undetectable		 4qoiA-3ioxA:
17.76
4qoiB-3ioxA:
17.76
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.
3j5y EUKARYOTIC PEPTIDE
CHAIN RELEASE FACTOR
SUBUNIT 1

(Homo sapiens) 		PF03463
(eRF1_1)
PF03464
(eRF1_2)
PF03465
(eRF1_3) 		5 GLY A 410
GLY A 411
GLY A 405
PHE A 291
ILE A 294
 None
 1.01A 4qoiA-3j5yA:
undetectable
4qoiB-3j5yA:
undetectable		 4qoiA-3j5yA:
20.14
4qoiB-3j5yA:
20.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m0z PUTATIVE ALDOLASE

(Klebsiella
pneumoniae) 		PF07071
(KDGP_aldolase) 		5 GLY A 192
GLY A 191
ILE A 217
ILE A 201
PHE A 173
 SO4  A 301 (-3.7A)
SO4  A 301 (-3.6A)
None
None
None
 1.04A 4qoiA-3m0zA:
undetectable
4qoiB-3m0zA:
undetectable		 4qoiA-3m0zA:
20.83
4qoiB-3m0zA:
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.
3n2z LYSOSOMAL PRO-X
CARBOXYPEPTIDASE

(Homo sapiens) 		PF05577
(Peptidase_S28) 		5 GLY B 413
GLY B 412
ILE B 407
GLY B 435
ILE B 206
 None
 1.14A 4qoiA-3n2zB:
3.5
4qoiB-3n2zB:
3.6		 4qoiA-3n2zB:
19.65
4qoiB-3n2zB:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ngf AP ENDONUCLEASE,
FAMILY 2

(Brucella
abortus) 		PF01261
(AP_endonuc_2) 		5 GLY A 237
MET A  11
ILE A 204
GLY A 234
PHE A  29
 None
 1.10A 4qoiA-3ngfA:
undetectable
4qoiB-3ngfA:
undetectable		 4qoiA-3ngfA:
20.36
4qoiB-3ngfA:
20.36
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.
3o7t CYCLOPHILIN A

(Moniliophthora
perniciosa) 		PF00160
(Pro_isomerase) 		5 GLY A  62
GLY A  63
ILE A  50
PHE A  20
PHE A  34
 None
 0.95A 4qoiA-3o7tA:
undetectable
4qoiB-3o7tA:
undetectable		 4qoiA-3o7tA:
23.61
4qoiB-3o7tA:
23.61
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.
3ov3 CURCUMIN SYNTHASE

(Curcuma longa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 GLY A 256
GLY A 255
GLY A 262
ILE A 132
PHE A 215
 None
None
None
MLI  A 396 (-2.9A)
None
 1.17A 4qoiA-3ov3A:
undetectable
4qoiB-3ov3A:
undetectable		 4qoiA-3ov3A:
20.54
4qoiB-3ov3A:
20.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3te7 RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE]

(Homo sapiens) 		PF02525
(Flavodoxin_2) 		5 GLN A 122
PHE A 126
ILE A 128
PHE A 131
PHE A 178
 TE7  A   1 ( 4.3A)
TE7  A   1 (-4.3A)
None
None
TE7  A   1 (-3.6A)
 0.61A 4qoiA-3te7A:
39.7
4qoiB-3te7A:
39.0		 4qoiA-3te7A:
100.00
4qoiB-3te7A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3te7 RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE]

(Homo sapiens) 		PF02525
(Flavodoxin_2) 		5 GLY A  68
GLN A 122
PHE A 126
PHE A 131
PHE A 178
 TE7  A   1 ( 4.1A)
TE7  A   1 ( 4.3A)
TE7  A   1 (-4.3A)
None
TE7  A   1 (-3.6A)
 0.61A 4qoiA-3te7A:
39.7
4qoiB-3te7A:
39.0		 4qoiA-3te7A:
100.00
4qoiB-3te7A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3te7 RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE]

(Homo sapiens) 		PF02525
(Flavodoxin_2) 		5 TRP A 105
GLY A 149
GLY A 150
MET A 154
ILE A 194
 FAD  A 232 ( 4.3A)
FAD  A 232 (-3.6A)
FAD  A 232 (-3.6A)
None
None
 0.25A 4qoiA-3te7A:
39.7
4qoiB-3te7A:
39.0		 4qoiA-3te7A:
100.00
4qoiB-3te7A:
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.
3vb0 GLYOXALASE/BLEOMYCIN
RESISTANCE
PROTEIN/DIOXYGENASE

(Sphingomonas
wittichii) 		PF00903
(Glyoxalase) 		5 GLY A 144
GLY A 136
ILE A 142
GLY A  66
PHE A 123
 None
SO4  A 303 (-3.6A)
None
None
SO4  A 303 (-4.7A)
 1.10A 4qoiA-3vb0A:
undetectable
4qoiB-3vb0A:
undetectable		 4qoiA-3vb0A:
23.08
4qoiB-3vb0A:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vss BETA-FRUCTOFURANOSID
ASE

(Microbacterium
saccharophilum) 		PF02435
(Glyco_hydro_68) 		5 GLY A 413
ILE A 363
GLY A 408
ILE A 378
PHE A 380
 None
 1.12A 4qoiA-3vssA:
undetectable
4qoiB-3vssA:
undetectable		 4qoiA-3vssA:
16.70
4qoiB-3vssA:
16.70
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.
3wd7 TYPE III POLYKETIDE
SYNTHASES ACRIDONE
SYNTHASE

(Citrus x
microcarpa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 GLY A 305
GLY A 306
GLY A 163
ILE A 254
PHE A 275
 GLY  A 305 (-0.0A)
GLY  A 306 (-0.0A)
GLY  A 163 ( 0.0A)
ILE  A 254 ( 0.7A)
PHE  A 275 ( 1.3A)
 1.09A 4qoiA-3wd7A:
undetectable
4qoiB-3wd7A:
undetectable		 4qoiA-3wd7A:
22.31
4qoiB-3wd7A:
22.31
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.
4be9 STEROL ESTERASE

(Ophiostoma
piceae) 		PF00135
(COesterase) 		5 GLY A 134
GLY A 135
GLY A 218
ILE A 224
PHE A 427
 PGE  A1554 ( 4.7A)
1PE  A1553 (-3.3A)
None
None
1PE  A1553 (-4.7A)
 1.15A 4qoiA-4be9A:
undetectable
4qoiB-4be9A:
2.2		 4qoiA-4be9A:
16.76
4qoiB-4be9A:
16.76
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.
4ex4 MALATE SYNTHASE G

(Mycobacterium
leprae) 		PF01274
(Malate_synthase) 		5 GLY A 505
ILE A 461
GLY A 512
ILE A 100
PHE A  98
 None
 0.90A 4qoiA-4ex4A:
undetectable
4qoiB-4ex4A:
undetectable		 4qoiA-4ex4A:
17.32
4qoiB-4ex4A:
17.32
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.
4f4f THREONINE SYNTHASE

(Brucella
melitensis) 		PF00291
(PALP)
PF14821
(Thr_synth_N) 		5 GLY A 343
GLY A 342
GLY A 293
PHE A 316
ILE A 285
 None
 0.99A 4qoiA-4f4fA:
undetectable
4qoiB-4f4fA:
undetectable		 4qoiA-4f4fA:
16.18
4qoiB-4f4fA:
16.18
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.
4gxh PYRROLIDONE-CARBOXYL
ATE PEPTIDASE

(Xenorhabdus
bovienii) 		PF01470
(Peptidase_C15) 		5 GLY A  13
GLY A  14
GLY A  96
PHE A 141
ILE A  91
 None
 1.11A 4qoiA-4gxhA:
3.8
4qoiB-4gxhA:
3.6		 4qoiA-4gxhA:
23.14
4qoiB-4gxhA:
23.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hum MULTIDRUG EFFLUX
PROTEIN

(Neisseria
gonorrhoeae) 		PF01554
(MatE) 		5 GLY A  97
GLY A  94
ILE A  81
GLY A 104
PHE A 244
 None
 1.19A 4qoiA-4humA:
undetectable
4qoiB-4humA:
undetectable		 4qoiA-4humA:
20.72
4qoiB-4humA:
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.
4iv9 TRYPTOPHAN
2-MONOOXYGENASE

(Pseudomonas
savastanoi) 		PF01593
(Amino_oxidase) 		5 GLY A 164
GLY A 156
ILE A 213
PHE A 201
PHE A 252
 None
 1.19A 4qoiA-4iv9A:
2.5
4qoiB-4iv9A:
2.5		 4qoiA-4iv9A:
18.69
4qoiB-4iv9A:
18.69
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.
4l1f ACYL-COA
DEHYDROGENASE DOMAIN
PROTEIN

(Acidaminococcus
fermentans) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 GLY A 204
GLY A 203
ILE A 358
GLY A  84
ILE A 253
 None
None
FAD  A 401 (-4.6A)
None
None
 1.05A 4qoiA-4l1fA:
undetectable
4qoiB-4l1fA:
undetectable		 4qoiA-4l1fA:
21.08
4qoiB-4l1fA:
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.
4ld8 MATRIX PROTEIN VP40

(Sudan
ebolavirus) 		PF07447
(VP40) 		5 GLY A 206
ILE A 307
GLY A 220
ILE A 240
PHE A 247
 None
 1.12A 4qoiA-4ld8A:
undetectable
4qoiB-4ld8A:
undetectable		 4qoiA-4ld8A:
23.15
4qoiB-4ld8A:
23.15
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.
4m46 LUCIFERASE

(Lampyris
turkestanicus) 		PF00501
(AMP-binding) 		5 GLY A 339
GLY A 316
GLY A 360
ILE A 336
PHE A 292
 None
 1.17A 4qoiA-4m46A:
3.5
4qoiB-4m46A:
3.9		 4qoiA-4m46A:
17.85
4qoiB-4m46A:
17.85
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.
4m46 LUCIFERASE

(Lampyris
turkestanicus) 		PF00501
(AMP-binding) 		5 GLY A 339
GLY A 316
ILE A 351
GLY A 360
PHE A 292
 None
 1.09A 4qoiA-4m46A:
3.5
4qoiB-4m46A:
3.9		 4qoiA-4m46A:
17.85
4qoiB-4m46A:
17.85
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.
4p63 PROBABLE
DEOXYHYPUSINE
SYNTHASE

(Pyrococcus
horikoshii) 		PF01916
(DS) 		5 GLY A 103
GLY A 104
GLY A 218
PHE A 176
ILE A 212
 NAD  A 401 (-3.6A)
None
None
None
None
 1.16A 4qoiA-4p63A:
2.6
4qoiB-4p63A:
3.2		 4qoiA-4p63A:
20.93
4qoiB-4p63A:
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.
4p8b TRAP-TYPE
TRANSPORTER,
PERIPLASMIC
COMPONENT

(Cupriavidus
necator) 		PF03480
(DctP) 		5 GLY A  46
MET A  35
GLN A 274
ILE A  51
PHE A 246
 None
 1.14A 4qoiA-4p8bA:
3.0
4qoiB-4p8bA:
undetectable		 4qoiA-4p8bA:
22.25
4qoiB-4p8bA:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pj1 60 KDA HEAT SHOCK
PROTEIN,
MITOCHONDRIAL

(Homo sapiens) 		PF00118
(Cpn60_TCP1) 		5 GLY A 416
GLY A 415
GLY A 463
PHE A 486
ILE A 470
 ADP  A 601 (-3.2A)
ADP  A 601 (-3.5A)
None
None
None
 1.12A 4qoiA-4pj1A:
undetectable
4qoiB-4pj1A:
undetectable		 4qoiA-4pj1A:
19.14
4qoiB-4pj1A:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qma CYSTEINE DIOXYGENASE
TYPE I

(Cupriavidus
pinatubonensis) 		PF05995
(CDO_I) 		5 GLY A 169
GLY A 188
ILE A 186
GLY A 165
PHE A  83
 None
None
None
EDO  A 308 ( 3.8A)
OXY  A 302 (-4.5A)
 1.14A 4qoiA-4qmaA:
undetectable
4qoiB-4qmaA:
undetectable		 4qoiA-4qmaA:
19.65
4qoiB-4qmaA:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u1r ATP-DEPENDENT
6-PHOSPHOFRUCTOKINAS
E, PLATELET TYPE

(Homo sapiens) 		PF00365
(PFK) 		5 GLY A 449
GLY A 452
ILE A 446
GLY A 514
ILE A 491
 None
 1.13A 4qoiA-4u1rA:
5.2
4qoiB-4u1rA:
5.6		 4qoiA-4u1rA:
16.71
4qoiB-4u1rA:
16.71
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.
4w5w RIBULOSE
BISPHOSPHATE
CARBOXYLASE/OXYGENAS
E ACTIVASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00004
(AAA) 		5 GLY A 256
ILE A 272
GLY A  72
PHE A 115
ILE A 261
 None
 1.19A 4qoiA-4w5wA:
undetectable
4qoiB-4w5wA:
undetectable		 4qoiA-4w5wA:
19.80
4qoiB-4w5wA:
19.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wwv AMINOPEPTIDASE FROM
FAMILY M42

(Desulfurococcus
amylolyticus) 		PF05343
(Peptidase_M42) 		5 GLY A 319
ILE A 309
GLY A 188
ILE A  67
PHE A 350
 None
 1.03A 4qoiA-4wwvA:
2.2
4qoiB-4wwvA:
2.6		 4qoiA-4wwvA:
21.46
4qoiB-4wwvA:
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.
4xoq COENZYME
F420:L-GLUTAMATE
LIGASE

(Mycobacterium
tuberculosis) 		PF00881
(Nitroreductase) 		5 GLY A 422
ILE A 398
GLY A 378
PHE A 297
ILE A 424
 None
F42  A 501 (-4.5A)
None
None
None
 1.11A 4qoiA-4xoqA:
undetectable
4qoiB-4xoqA:
undetectable		 4qoiA-4xoqA:
22.55
4qoiB-4xoqA:
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.
4ywo MERCURIC REDUCTASE

(Metallosphaera
sedula) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  31
GLY A 104
ILE A 102
GLY A  13
ILE A   7
 FAD  A 501 (-3.5A)
None
None
None
FAD  A 501 ( 4.9A)
 1.02A 4qoiA-4ywoA:
undetectable
4qoiB-4ywoA:
undetectable		 4qoiA-4ywoA:
19.38
4qoiB-4ywoA:
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.
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacterium
smegmatis) 		PF00933
(Glyco_hydro_3) 		5 GLY A 302
GLY A 301
MET A 251
GLY A 306
PHE A 227
 None
 1.14A 4qoiA-4yyfA:
undetectable
4qoiB-4yyfA:
undetectable		 4qoiA-4yyfA:
22.99
4qoiB-4yyfA:
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.
4zmu DIGUANYLATE CYCLASE

(Pseudomonas
aeruginosa) 		PF00990
(GGDEF)
PF01590
(GAF) 		5 GLY A 235
ILE A 226
GLY A 261
PHE A 264
ILE A 220
 None
 1.19A 4qoiA-4zmuA:
undetectable
4qoiB-4zmuA:
undetectable		 4qoiA-4zmuA:
20.86
4qoiB-4zmuA:
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.
5b47 2-OXOACID--FERREDOXI
N OXIDOREDUCTASE
ALPHA SUBUNIT

(Sulfurisphaera
tokodaii) 		PF01558
(POR)
PF01855
(POR_N)
PF17147
(PFOR_II) 		5 GLY A 317
GLY A 319
MET A 323
ILE A 256
GLY A 356
 None
TPP  B 402 ( 4.6A)
None
TPP  B 402 (-3.9A)
None
 1.19A 4qoiA-5b47A:
4.4
4qoiB-5b47A:
4.8		 4qoiA-5b47A:
16.72
4qoiB-5b47A:
16.72
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.
5c70 GLUCURONIDASE

(Aspergillus
oryzae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		5 GLY A 245
PHE A 290
ILE A 285
PHE A 283
PHE A 292
 None
 1.16A 4qoiA-5c70A:
undetectable
4qoiB-5c70A:
undetectable		 4qoiA-5c70A:
17.97
4qoiB-5c70A:
17.97
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.
5cfa BONE
SIALOPROTEIN-BINDING
PROTEIN

(Staphylococcus
aureus) 		PF10425
(SdrG_C_C) 		5 GLY A 321
GLY A 320
GLY A 324
ILE A  82
PHE A  40
 None
 1.13A 4qoiA-5cfaA:
undetectable
4qoiB-5cfaA:
undetectable		 4qoiA-5cfaA:
21.79
4qoiB-5cfaA:
21.79
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.
5cuw SRTE1

(Streptomyces
coelicolor) 		PF04203
(Sortase) 		5 GLY A 247
ILE A 315
GLY A 250
ILE A 211
PHE A 197
 None
 1.13A 4qoiA-5cuwA:
undetectable
4qoiB-5cuwA:
undetectable		 4qoiA-5cuwA:
19.66
4qoiB-5cuwA:
19.66
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.
5d6o HOMOSERINE
O-ACETYLTRANSFERASE

(Corynebacterium
glutamicum) 		PF00561
(Abhydrolase_1) 		5 TRP A 214
ILE A 115
GLY A  60
PHE A 299
PHE A 298
 GOL  A 407 (-4.4A)
None
CL  A 402 ( 3.7A)
None
None
 1.13A 4qoiA-5d6oA:
3.0
4qoiB-5d6oA:
3.1		 4qoiA-5d6oA:
21.94
4qoiB-5d6oA:
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.
5ehf LACCASE

(Antrodiella
faginea) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 MET A 465
ILE A 437
GLY A 388
PHE A 461
ILE A 397
 None
None
None
CU  A 510 ( 4.5A)
None
 0.98A 4qoiA-5ehfA:
undetectable
4qoiB-5ehfA:
undetectable		 4qoiA-5ehfA:
18.06
4qoiB-5ehfA:
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.
5exe OXALATE
OXIDOREDUCTASE
SUBUNIT BETA

(Moorella
thermoacetica) 		PF02775
(TPP_enzyme_C) 		5 GLY C  77
GLY C  78
MET C 124
ILE C  47
GLY C  51
 None
None
None
None
5SR  C 402 (-3.3A)
 0.95A 4qoiA-5exeC:
undetectable
4qoiB-5exeC:
undetectable		 4qoiA-5exeC:
20.86
4qoiB-5exeC:
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.
5fqd DNA DAMAGE-BINDING
PROTEIN 1

(Homo sapiens) 		PF03178
(CPSF_A)
PF10433
(MMS1_N) 		6 GLY A 132
MET A 130
ILE A 178
GLY A 138
ILE A 157
PHE A 155
 None
 1.08A 4qoiA-5fqdA:
undetectable
4qoiB-5fqdA:
undetectable		 4qoiA-5fqdA:
13.87
4qoiB-5fqdA:
13.87
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.
5hy5 TRYPTOPHAN
6-HALOGENASE

(Streptomyces
toxytricini) 		PF04820
(Trp_halogenase) 		5 GLY A 296
ILE A 298
GLN A 512
PHE A 516
ILE A 275
 None
 1.12A 4qoiA-5hy5A:
2.8
4qoiB-5hy5A:
2.8		 4qoiA-5hy5A:
17.65
4qoiB-5hy5A:
17.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jse PHIAB6 TAILSPIKE

(unidentified
phage) 		PF12708
(Pectate_lyase_3) 		5 GLY A 142
GLY A 180
GLY A 145
PHE A 200
ILE A 183
 None
 1.04A 4qoiA-5jseA:
undetectable
4qoiB-5jseA:
undetectable		 4qoiA-5jseA:
16.01
4qoiB-5jseA:
16.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l3s SIGNAL RECOGNITION
PARTICLE 54 KDA
PROTEIN

(Sulfolobus
solfataricus) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		5 GLY A 253
GLY A 254
ILE A 222
GLY A 249
ILE A 244
 None
 1.18A 4qoiA-5l3sA:
3.1
4qoiB-5l3sA:
3.2		 4qoiA-5l3sA:
20.60
4qoiB-5l3sA:
20.60
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.
5l6f FAD LINKED
OXIDASE-LIKE PROTEIN

(Thermothelomyces
thermophila) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 GLY A 167
GLY A 168
GLY A 214
PHE A 223
PHE A 225
 None
FAD  A 501 (-3.5A)
None
None
None
 0.97A 4qoiA-5l6fA:
undetectable
4qoiB-5l6fA:
undetectable		 4qoiA-5l6fA:
19.24
4qoiB-5l6fA:
19.24
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.
5m41 NIGRITOXINE

(Vibrio
nigripulchritudo) 		no annotation 5 GLY A 383
ILE A 307
GLY A 416
ILE A 388
PHE A 251
 None
 1.13A 4qoiA-5m41A:
undetectable
4qoiB-5m41A:
undetectable		 4qoiA-5m41A:
18.47
4qoiB-5m41A:
18.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n6m APOLIPOPROTEIN
N-ACYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00795
(CN_hydrolase) 		5 GLY A  69
GLY A  67
GLY A 415
ILE A  73
PHE A 145
 None
 1.15A 4qoiA-5n6mA:
undetectable
4qoiB-5n6mA:
undetectable		 4qoiA-5n6mA:
15.65
4qoiB-5n6mA:
15.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n9m COBYRIC ACID
SYNTHASE

(Staphylococcus
aureus) 		no annotation 5 GLY A  95
GLY A  96
ILE A  93
GLY A 151
PHE A 120
 None
 1.17A 4qoiA-5n9mA:
3.9
4qoiB-5n9mA:
3.9		 4qoiA-5n9mA:
15.93
4qoiB-5n9mA:
15.93
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.
5tnx ALCOHOL
DEHYDROGENASE
ZINC-BINDING DOMAIN
PROTEIN

(Burkholderia
ambifaria) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 175
ILE A 160
GLY A 183
PHE A 340
PHE A 342
 None
 1.12A 4qoiA-5tnxA:
3.9
4qoiB-5tnxA:
3.9		 4qoiA-5tnxA:
21.99
4qoiB-5tnxA:
21.99
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.
5vve PHOSPHOGLYCERATE
MUTASE

(Naegleria
fowleri) 		PF00300
(His_Phos_1) 		5 GLY A  41
MET A  73
ILE A  43
GLY A  11
ILE A   8
 None
 1.10A 4qoiA-5vveA:
undetectable
4qoiB-5vveA:
undetectable		 4qoiA-5vveA:
24.65
4qoiB-5vveA:
24.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5z9s GLYCOSYL HYDROLASE
FAMILY 3 PROTEIN

(Bifidobacterium
longum) 		no annotation 5 GLY A 602
GLY A 603
ILE A 386
GLY A 420
ILE A 560
 None
 1.01A 4qoiA-5z9sA:
undetectable
4qoiB-5z9sA:
4.0		 4qoiA-5z9sA:
18.75
4qoiB-5z9sA:
18.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6axe MALATE SYNTHASE G

(Mycobacterium
marinum) 		PF01274
(Malate_synthase) 		5 GLY A 504
ILE A 460
GLY A 511
ILE A 100
PHE A  98
 None
 0.92A 4qoiA-6axeA:
undetectable
4qoiB-6axeA:
undetectable		 4qoiA-6axeA:
16.35
4qoiB-6axeA:
16.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c7s PUTATIVE RIFAMPIN
MONOOXYGENASE

(Nocardia
farcinica) 		no annotation 5 GLY A   9
GLY A  10
ILE A   6
GLY A 119
ILE A 116
 FAD  A 501 ( 4.7A)
FAD  A 501 (-3.4A)
None
None
None
 1.01A 4qoiA-6c7sA:
3.3
4qoiB-6c7sA:
undetectable		 4qoiA-6c7sA:
15.17
4qoiB-6c7sA:
15.17
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.
6cg0 V(D)J
RECOMBINATION-ACTIVA
TING PROTEIN 2

(Mus musculus) 		no annotation 5 GLY D  96
GLY D  95
ILE D  93
GLY D  18
PHE D 206
 None
 1.05A 4qoiA-6cg0D:
undetectable
4qoiB-6cg0D:
undetectable		 4qoiA-6cg0D:
18.14
4qoiB-6cg0D:
18.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6dbr -

(-) 		no annotation 5 GLY B  95
GLY B  94
ILE B  92
GLY B  18
PHE B 206
 None
 1.08A 4qoiA-6dbrB:
undetectable
4qoiB-6dbrB:
undetectable		 4qoiA-6dbrB:
undetectable
4qoiB-6dbrB:
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.
6f74 ALCOHOL OXIDASE

(Thermothelomyces
thermophila) 		no annotation 5 GLY A 289
GLY A 488
GLY A 238
GLN A 300
PHE A 284
 None
None
FAD  A 601 (-3.3A)
None
None
 1.11A 4qoiA-6f74A:
undetectable
4qoiB-6f74A:
undetectable		 4qoiA-6f74A:
16.81
4qoiB-6f74A:
16.81