SIMILAR PATTERNS OF AMINO ACIDS FOR 3ITA_D_AICD501_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.
1drk D-RIBOSE-BINDING
PROTEIN

(Escherichia
coli) 		PF13407
(Peripla_BP_4) 		3 PRO A 161
PHE A 164
ALA A 138
 None
RIP  A 272 ( 2.8A)
None
 0.65A 3itaD-1drkA:
0.0		 3itaD-1drkA:
25.34
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.
1ftf ACYL CARRIER PROTEIN
SYNTHASE

(Streptococcus
pneumoniae) 		PF01648
(ACPS) 		3 PRO A1088
PHE A1090
ALA A1058
 None
 0.37A 3itaD-1ftfA:
undetectable		 3itaD-1ftfA:
15.86
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.
1i51 CASPASE-7 SUBUNIT
P11

(Homo sapiens) 		PF00656
(Peptidase_C14) 		3 PRO B 289
PHE B 273
ALA B 244
 None
 0.72A 3itaD-1i51B:
undetectable		 3itaD-1i51B:
14.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m72 CASPASE-1

(Spodoptera
frugiperda) 		PF00656
(Peptidase_C14) 		3 PRO A 281
PHE A 264
ALA A 235
 None
 0.72A 3itaD-1m72A:
0.0		 3itaD-1m72A:
23.03
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.
1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE

(Bacillus
subtilis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		3 PRO A 513
PHE A 475
ALA A 528
 None
 0.59A 3itaD-1mdfA:
0.0		 3itaD-1mdfA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1raj GENOME POLYPROTEIN

(Enterovirus C) 		PF00680
(RdRP_1) 		3 PRO A 214
PHE A 373
ALA A 209
 None
 0.72A 3itaD-1rajA:
0.0		 3itaD-1rajA:
23.93
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.
1rdr POLIOVIRUS 3D
POLYMERASE

(Enterovirus C) 		PF00680
(RdRP_1) 		3 PRO A 214
PHE A 373
ALA A 209
 None
 0.66A 3itaD-1rdrA:
0.0		 3itaD-1rdrA:
23.49
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.
1v77 HYPOTHETICAL PROTEIN
PH1877

(Pyrococcus
horikoshii) 		PF01876
(RNase_P_p30) 		3 PRO A 103
PHE A 129
ALA A 152
 None
 0.54A 3itaD-1v77A:
0.0		 3itaD-1v77A:
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.
1xc6 BETA-GALACTOSIDASE

(Penicillium sp.) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		3 PRO A 135
PHE A 233
ALA A 224
 None
 0.63A 3itaD-1xc6A:
0.0		 3itaD-1xc6A:
17.82
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.
1xhe AEROBIC RESPIRATION
CONTROL PROTEIN ARCA

(Escherichia
coli) 		PF00072
(Response_reg) 		3 PRO A   4
PHE A  23
ALA A 114
 None
 0.67A 3itaD-1xheA:
undetectable		 3itaD-1xheA:
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.
1ygp YEAST GLYCOGEN
PHOSPHORYLASE

(Saccharomyces
cerevisiae) 		PF00343
(Phosphorylase) 		3 PRO A 188
PHE A 228
ALA A  94
 None
 0.64A 3itaD-1ygpA:
undetectable		 3itaD-1ygpA:
19.33
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.
2b5d ALPHA-AMYLASE

(Thermotoga
maritima) 		PF03065
(Glyco_hydro_57)
PF09210
(DUF1957) 		3 PRO X 225
PHE X 205
ALA X 382
 None
 0.67A 3itaD-2b5dX:
undetectable		 3itaD-2b5dX:
20.15
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.
2cl2 PUTATIVE
LAMINARINASE

(Phanerochaete
chrysosporium) 		no annotation 3 PRO A  93
PHE A 253
ALA A  56
 None
 0.69A 3itaD-2cl2A:
undetectable		 3itaD-2cl2A:
22.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca sexta) 		PF00135
(COesterase) 		3 PRO A 318
PHE A 259
ALA A 230
 None
TFC  A 600 (-4.0A)
None
 0.73A 3itaD-2fj0A:
undetectable		 3itaD-2fj0A:
22.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2izw RYEGRASS MOTTLE
VIRUS COAT PROTEIN

(Ryegrass mottle
virus) 		PF00729
(Viral_coat) 		3 PRO A 174
PHE A 199
ALA A 116
 None
 0.65A 3itaD-2izwA:
undetectable		 3itaD-2izwA:
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.
2jk1 HYDROGENASE
TRANSCRIPTIONAL
REGULATORY PROTEIN
HUPR1

(Rhodobacter
capsulatus) 		PF00072
(Response_reg) 		3 PRO A   6
PHE A  29
ALA A 121
 None
 0.62A 3itaD-2jk1A:
undetectable		 3itaD-2jk1A:
17.77
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.
2qdj RETINOBLASTOMA-ASSOC
IATED PROTEIN

(Homo sapiens) 		PF11934
(DUF3452) 		3 PRO A  67
PHE A 115
ALA A 107
 None
 0.56A 3itaD-2qdjA:
undetectable		 3itaD-2qdjA:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qjj MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Novosphingobium
aromaticivorans) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 PRO A 333
PHE A 328
ALA A 299
 None
 0.56A 3itaD-2qjjA:
undetectable		 3itaD-2qjjA:
21.31
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.
2qk7 GAMMA-HEMOLYSIN
COMPONENT A

(Staphylococcus
aureus) 		PF07968
(Leukocidin) 		3 PRO A 182
PHE A 191
ALA A 238
 None
 0.54A 3itaD-2qk7A:
undetectable		 3itaD-2qk7A:
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.
2vvd SPIKE PROTEIN P1

(Pseudoalteromonas
virus PM2) 		no annotation 3 PRO A 237
PHE A 239
ALA A 215
 None
 0.45A 3itaD-2vvdA:
undetectable		 3itaD-2vvdA:
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.
2vve SPIKE PROTEIN P1

(Pseudoalteromonas
virus PM2) 		no annotation 3 PRO A 236
PHE A 238
ALA A 214
 None
 0.50A 3itaD-2vveA:
undetectable		 3itaD-2vveA:
22.03
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.
2w0c PROTEIN 2

(Pseudoalteromonas
virus PM2) 		no annotation 3 PRO L 236
PHE L 238
ALA L 214
 None
 0.53A 3itaD-2w0cL:
undetectable		 3itaD-2w0cL:
22.94
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.
3a2l HALOALKANE
DEHALOGENASE

(Bradyrhizobium
japonicum) 		PF00561
(Abhydrolase_1) 		3 PRO A 218
PHE A  78
ALA A 107
 None
 0.69A 3itaD-3a2lA:
undetectable		 3itaD-3a2lA:
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.
3b5q PUTATIVE SULFATASE
YIDJ

(Bacteroides
thetaiotaomicron) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		3 PRO A 169
PHE A 105
ALA A 342
 PEG  A 516 (-4.6A)
None
None
 0.67A 3itaD-3b5qA:
undetectable		 3itaD-3b5qA:
20.57
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.
3c1a PUTATIVE
OXIDOREDUCTASE

(Magnetospirillum
magnetotacticum) 		PF01408
(GFO_IDH_MocA) 		3 PRO A 293
PHE A 286
ALA A  94
 None
 0.68A 3itaD-3c1aA:
undetectable		 3itaD-3c1aA:
22.74
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.
3cwu DNA-3-METHYLADENINE
GLYCOSYLASE 2

(Escherichia
coli) 		PF00730
(HhH-GPD)
PF06029
(AlkA_N) 		3 PRO A 236
PHE A 245
ALA A 257
 None
 0.71A 3itaD-3cwuA:
undetectable		 3itaD-3cwuA:
22.41
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.
3e13 PUTATIVE IRON-UPTAKE
ABC TRANSPORT
SYSTEM,PERIPLASMIC
IRON-BINDING PROTEIN

(Campylobacter
jejuni) 		PF13343
(SBP_bac_6) 		3 PRO X 227
PHE X 294
ALA X 106
 None
 0.69A 3itaD-3e13X:
undetectable		 3itaD-3e13X:
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.
3fxg RHAMNONATE
DEHYDRATASE

(Fusarium
graminearum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 PRO A 338
PHE A 333
ALA A 311
 None
 0.63A 3itaD-3fxgA:
0.7		 3itaD-3fxgA:
22.83
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.
3gg7 UNCHARACTERIZED
METALLOPROTEIN

(Deinococcus
radiodurans) 		PF01026
(TatD_DNase) 		3 PRO A 143
PHE A 165
ALA A 158
 None
 0.64A 3itaD-3gg7A:
undetectable		 3itaD-3gg7A:
23.31
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.
3ide CAPSID PROTEIN VP2

(Infectious
pancreatic
necrosis virus) 		PF01766
(Birna_VP2) 		3 PRO A  25
PHE A 170
ALA A 399
 None
 0.68A 3itaD-3ideA:
undetectable		 3itaD-3ideA:
23.62
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.
3io1 AMINOBENZOYL-GLUTAMA
TE UTILIZATION
PROTEIN

(Klebsiella
pneumoniae) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		3 PRO A  84
PHE A  91
ALA A  40
 None
 0.60A 3itaD-3io1A:
undetectable		 3itaD-3io1A:
23.64
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.
3l84 TRANSKETOLASE

(Campylobacter
jejuni) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		3 PRO A 492
PHE A 462
ALA A 425
 None
 0.71A 3itaD-3l84A:
undetectable		 3itaD-3l84A:
22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3li9 HYPOTHETICAL SENSORY
TRANSDUCTION
HISTIDINE KINASE

(Methanosarcina
mazei) 		PF02743
(dCache_1) 		3 PRO A 134
PHE A 113
ALA A  87
 None
 0.65A 3itaD-3li9A:
2.3		 3itaD-3li9A:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lib HYPOTHETICAL SENSORY
TRANSDUCTION
HISTIDINE KINASE

(Methanosarcina
mazei) 		PF02743
(dCache_1) 		3 PRO A 133
PHE A 112
ALA A  86
 None
 0.73A 3itaD-3libA:
2.1		 3itaD-3libA:
23.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis) 		PF13561
(adh_short_C2) 		3 PRO A 210
PHE A 233
ALA A 432
 None
 0.71A 3itaD-3m1lA:
undetectable		 3itaD-3m1lA:
23.70
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.
3m8u HEME-BINDING PROTEIN
A

(Glaesserella
parasuis) 		PF00496
(SBP_bac_5) 		3 PRO A 383
PHE A 504
ALA A 326
 None
 0.58A 3itaD-3m8uA:
undetectable		 3itaD-3m8uA:
25.25
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.
3nlc UNCHARACTERIZED
PROTEIN VP0956

(Vibrio
parahaemolyticus) 		no annotation 3 PRO A 409
PHE A 290
ALA A 444
 None
 0.64A 3itaD-3nlcA:
undetectable		 3itaD-3nlcA:
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.
3npk GERANYLTRANSTRANSFER
ASE

(Campylobacter
jejuni) 		PF00348
(polyprenyl_synt) 		3 PRO A  16
PHE A  25
ALA A 110
 None
 0.52A 3itaD-3npkA:
undetectable		 3itaD-3npkA:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3quf EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, FAMILY 1

(Bifidobacterium
longum) 		PF13416
(SBP_bac_8) 		3 PRO A  92
PHE A  96
ALA A 111
 None
 0.70A 3itaD-3qufA:
undetectable		 3itaD-3qufA:
23.28
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.
3roh LEUCOTOXIN LUKEV

(Staphylococcus
aureus) 		PF07968
(Leukocidin) 		3 PRO A 212
PHE A 223
ALA A 270
 None
 0.68A 3itaD-3rohA:
undetectable		 3itaD-3rohA:
23.69
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.
3s9j MEMBER OF DUF4221
FAMILY

(Bacteroides
vulgatus) 		PF13970
(DUF4221) 		3 PRO A 146
PHE A 143
ALA A 193
 FMT  A 410 ( 3.8A)
None
None
 0.68A 3itaD-3s9jA:
undetectable		 3itaD-3s9jA:
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.
3sim PROTEIN, FAMILY 18
CHITINASE

(Crocus vernus) 		PF00704
(Glyco_hydro_18) 		3 PRO A 161
PHE A 187
ALA A 206
 None
 0.65A 3itaD-3simA:
undetectable		 3itaD-3simA:
22.75
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.
3tat TYROSINE
AMINOTRANSFERASE

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		3 PRO A  93
PHE A  88
ALA A 244
 None
 0.67A 3itaD-3tatA:
undetectable		 3itaD-3tatA:
25.06
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.
3thu MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME FAMILY
PROTEIN

(Sphingomonas
sp. SKA58) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 PRO A 334
PHE A 329
ALA A 300
 None
 0.65A 3itaD-3thuA:
1.2		 3itaD-3thuA:
22.47
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.
3v4b STARVATION SENSING
PROTEIN RSPA

(Cellvibrio
japonicus) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 PRO A 333
PHE A 328
ALA A 299
 None
 0.68A 3itaD-3v4bA:
undetectable		 3itaD-3v4bA:
23.35
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.
3v4p INTEGRIN ALPHA-4

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		3 PRO A 149
PHE A 162
ALA A 204
 None
 0.61A 3itaD-3v4pA:
undetectable		 3itaD-3v4pA:
18.98
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.
3v9e LACCASE

(Botrytis aclada) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		3 PRO A 460
PHE A 435
ALA A 465
 None
 0.70A 3itaD-3v9eA:
undetectable		 3itaD-3v9eA:
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.
3w6q TYROSINASE

(Aspergillus
oryzae) 		PF00264
(Tyrosinase) 		3 PRO A 265
PHE A 490
ALA A 541
 None
 0.69A 3itaD-3w6qA:
undetectable		 3itaD-3w6qA:
21.11
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.
4a8j ELONGATOR COMPLEX
PROTEIN 4

(Saccharomyces
cerevisiae) 		PF05625
(PAXNEB) 		3 PRO A 251
PHE A 160
ALA A 127
 None
 0.70A 3itaD-4a8jA:
undetectable		 3itaD-4a8jA:
22.56
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.
4dpk MALONYL-COA/SUCCINYL
-COA REDUCTASE

(Sulfurisphaera
tokodaii) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		3 PRO A 105
PHE A  84
ALA A 348
 None
 0.71A 3itaD-4dpkA:
undetectable		 3itaD-4dpkA:
23.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4drt DE NOVO DESIGNED
SERINE HYDROLASE,
OR89

(synthetic
construct) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		3 PRO A 269
PHE A 276
ALA A 311
 None
 0.24A 3itaD-4drtA:
41.7		 3itaD-4drtA:
60.72
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.
4e4f MANNONATE
DEHYDRATASE

(Pectobacterium
carotovorum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 PRO A 335
PHE A 330
ALA A 301
 None
 0.69A 3itaD-4e4fA:
0.8		 3itaD-4e4fA:
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.
4e4t PHOSPHORIBOSYLAMINOI
MIDAZOLE
CARBOXYLASE, ATPASE
SUBUNIT

(Burkholderia
ambifaria) 		PF02222
(ATP-grasp) 		3 PRO A 342
PHE A 331
ALA A 363
 None
 0.70A 3itaD-4e4tA:
undetectable		 3itaD-4e4tA:
23.41
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.
4ecd CHORISMATE SYNTHASE

(Bifidobacterium
longum) 		PF01264
(Chorismate_synt) 		3 PRO A 317
PHE A 258
ALA A 351
 None
 0.69A 3itaD-4ecdA:
undetectable		 3itaD-4ecdA:
23.28
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.
4elj RETINOBLASTOMA-ASSOC
IATED PROTEIN

(Homo sapiens) 		PF01857
(RB_B)
PF01858
(RB_A)
PF11934
(DUF3452) 		3 PRO A  67
PHE A 115
ALA A 107
 None
 0.58A 3itaD-4eljA:
1.5		 3itaD-4eljA:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4evz HISF-LUCA

(synthetic
construct) 		PF00977
(His_biosynth) 		3 PRO A   8
PHE A  49
ALA A  36
 None
 0.66A 3itaD-4evzA:
undetectable		 3itaD-4evzA:
23.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fvf STOMATIN

(Mus musculus) 		PF01145
(Band_7) 		3 PRO A 104
PHE A 101
ALA A 147
 None
 0.67A 3itaD-4fvfA:
undetectable		 3itaD-4fvfA:
18.98
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.
4fwb HALOALKANE
DEHALOGENASE

(Rhodococcus
rhodochrous) 		PF00561
(Abhydrolase_1) 		3 PRO A 210
PHE A  81
ALA A 110
 None
 0.64A 3itaD-4fwbA:
undetectable		 3itaD-4fwbA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gt2 PUTATIVE
UNCHARACTERIZED
PROTEIN SCO3963

(Streptomyces
coelicolor) 		no annotation 3 PRO B  88
PHE B 154
ALA B 125
 None
 0.59A 3itaD-4gt2B:
undetectable		 3itaD-4gt2B:
23.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hs4 CHROMATE REDUCTASE

(Komagataeibacter
hansenii) 		PF03358
(FMN_red) 		3 PRO A  34
PHE A   9
ALA A 181
 None
 0.63A 3itaD-4hs4A:
undetectable		 3itaD-4hs4A:
19.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4il2 STARVATION SENSING
PROTEIN RSPA

(Escherichia
coli) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 PRO A 346
PHE A 341
ALA A 312
 None
 0.61A 3itaD-4il2A:
undetectable		 3itaD-4il2A:
22.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iru LEPB

(Legionella
pneumophila) 		no annotation 3 PRO A 529
PHE A 526
ALA A 392
 None
 0.62A 3itaD-4iruA:
undetectable		 3itaD-4iruA:
24.72
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.
4iug BETA-GALACTOSIDASE A

(Aspergillus
oryzae) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		3 PRO A 135
PHE A 232
ALA A 223
 None
 0.59A 3itaD-4iugA:
undetectable		 3itaD-4iugA:
17.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4izo PHOSPHORIBOSYLAMINOI
MIDAZOLE
CARBOXYLASE, ATPASE
SUBUNIT

(Burkholderia
thailandensis) 		PF02222
(ATP-grasp) 		3 PRO A 342
PHE A 331
ALA A 363
 None
 0.64A 3itaD-4izoA:
undetectable		 3itaD-4izoA:
24.32
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.
4k2a HALOALKANE
DEHALOGENASE

(Bradyrhizobium
elkanii) 		PF00561
(Abhydrolase_1) 		3 PRO A 209
PHE A  78
ALA A 107
 None
 0.67A 3itaD-4k2aA:
undetectable		 3itaD-4k2aA:
23.99
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.
4kws D-MANNONATE
DEHYDRATASE

(Chromohalobacter
salexigens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 PRO A 336
PHE A 331
ALA A 302
 None
 0.71A 3itaD-4kwsA:
undetectable		 3itaD-4kwsA:
23.89
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.
4o9x TCDB2, TCCC3

(Photorhabdus
luminescens) 		PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN) 		3 PRO A 122
PHE A 331
ALA A 219
 None
 0.72A 3itaD-4o9xA:
undetectable		 3itaD-4o9xA:
10.02
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.
4rcn LONG-CHAIN ACYL-COA
CARBOXYLASE

(Mycobacterium
avium) 		PF00289
(Biotin_carb_N)
PF01039
(Carboxyl_trans)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		3 PRO A 377
PHE A 374
ALA A 403
 None
 0.67A 3itaD-4rcnA:
undetectable		 3itaD-4rcnA:
16.21
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.
4rl3 CHITINASE A

(Pteris
ryukyuensis) 		PF00704
(Glyco_hydro_18) 		3 PRO A 281
PHE A 307
ALA A 326
 None
 0.59A 3itaD-4rl3A:
undetectable		 3itaD-4rl3A:
22.64
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.
4x90 GROUP XV
PHOSPHOLIPASE A2

(Homo sapiens) 		PF02450
(LCAT) 		3 PRO A 319
PHE A 314
ALA A 208
 None
 0.68A 3itaD-4x90A:
undetectable		 3itaD-4x90A:
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.
4xwh ALPHA-N-ACETYLGLUCOS
AMINIDASE

(Homo sapiens) 		PF05089
(NAGLU)
PF12971
(NAGLU_N)
PF12972
(NAGLU_C) 		3 PRO A 389
PHE A 402
ALA A 430
 None
 0.68A 3itaD-4xwhA:
undetectable		 3itaD-4xwhA:
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.
4z61 PHYTOSULFOKINE
RECEPTOR 1

(Daucus carota) 		PF00560
(LRR_1)
PF13855
(LRR_8) 		3 PRO A 417
PHE A 411
ALA A 392
 None
 0.62A 3itaD-4z61A:
undetectable		 3itaD-4z61A:
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.
4z93 BROMODOMAIN-CONTAINI
NG PROTEIN 4

(Homo sapiens) 		PF00439
(Bromodomain) 		3 PRO A 458
PHE A 454
ALA A 415
 CME  A 356 ( 4.9A)
None
None
 0.62A 3itaD-4z93A:
2.2		 3itaD-4z93A:
16.92
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.
5aem TRANSCRIPTION FACTOR
TAU 131 KDA SUBUNIT

(Saccharomyces
cerevisiae) 		PF13181
(TPR_8)
PF13432
(TPR_16) 		3 PRO A 431
PHE A 406
ALA A 385
 None
 0.57A 3itaD-5aemA:
undetectable		 3itaD-5aemA:
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.
5cmo HOLO-[ACYL-CARRIER-P
ROTEIN] SYNTHASE

(Neisseria
meningitidis) 		PF01648
(ACPS) 		3 PRO A  86
PHE A  88
ALA A  55
 None
 0.72A 3itaD-5cmoA:
undetectable		 3itaD-5cmoA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dje ZUOTIN

(Saccharomyces
cerevisiae) 		no annotation 3 PRO A  13
PHE A  29
ALA A 116
 None
 0.64A 3itaD-5djeA:
undetectable		 3itaD-5djeA:
15.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fg6 BROMODOMAIN-CONTAINI
NG PROTEIN 1

(Homo sapiens) 		PF00439
(Bromodomain) 		3 PRO A 583
PHE A 587
ALA A 651
 None
5XE  A 705 (-4.4A)
None
 0.71A 3itaD-5fg6A:
undetectable		 3itaD-5fg6A:
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.
5h80 CARBOXYLASE

(Deinococcus
radiodurans) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		3 PRO A 367
PHE A 364
ALA A 393
 None
 0.60A 3itaD-5h80A:
undetectable		 3itaD-5h80A:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k6o B-GLUCOSIDASE

(metagenome) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		3 PRO A 585
PHE A 673
ALA A 664
 None
 0.69A 3itaD-5k6oA:
undetectable		 3itaD-5k6oA:
17.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l0v PROTEIN
O-GLUCOSYLTRANSFERAS
E 1

(Homo sapiens) 		PF05686
(Glyco_transf_90) 		3 PRO A 135
PHE A 150
ALA A 275
 None
 0.70A 3itaD-5l0vA:
undetectable		 3itaD-5l0vA:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lc5 NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
4

(Bos taurus) 		PF00361
(Proton_antipo_M)
PF01059
(Oxidored_q5_N) 		3 PRO M 224
PHE M 149
ALA M 233
 None
 0.67A 3itaD-5lc5M:
undetectable		 3itaD-5lc5M:
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.
5lm8 'MULTICOPPER OXIDASE

(Aspergillus
niger) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		3 PRO A 480
PHE A 457
ALA A 485
 None
 0.69A 3itaD-5lm8A:
undetectable		 3itaD-5lm8A:
20.25
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.
5map DTPA

(Streptomyces
lividans) 		PF04261
(Dyp_perox) 		3 PRO A  88
PHE A 154
ALA A 125
 None
 0.56A 3itaD-5mapA:
undetectable		 3itaD-5mapA:
24.38
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.
5n3u PHYCOCYANOBILIN
LYASE SUBUNIT ALPHA

(Nostoc sp. PCC
7120) 		no annotation 3 PRO A 174
PHE A 170
ALA A 135
 None
 0.56A 3itaD-5n3uA:
undetectable		 3itaD-5n3uA:
14.09
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.
5oce PHOSPHATIDYLINOSITOL
MANNOSIDE
ACYLTRANSFERASE

(Mycolicibacterium
smegmatis) 		no annotation 3 PRO A 220
PHE A 272
ALA A 123
 None
 0.61A 3itaD-5oceA:
undetectable		 3itaD-5oceA:
15.91
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.
5olp PECTATE LYASE

(Bacteroides
thetaiotaomicron) 		no annotation 3 PRO A  41
PHE A  45
ALA A  74
 None
 0.69A 3itaD-5olpA:
undetectable		 3itaD-5olpA:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oqr CONDENSIN COMPLEX
SUBUNIT 3

(Schizosaccharomyces
pombe) 		no annotation 3 PRO A 334
PHE A 302
ALA A 314
 None
 0.67A 3itaD-5oqrA:
undetectable		 3itaD-5oqrA:
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.
5txf PHOSPHATIDYLCHOLINE-
STEROL
ACYLTRANSFERASE

(Homo sapiens) 		no annotation 3 PRO A 336
PHE A 331
ALA A 224
 None
 0.69A 3itaD-5txfA:
undetectable		 3itaD-5txfA:
21.90
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.
5vl3 B-CELL RECEPTOR CD22

(Homo sapiens) 		no annotation 3 PRO Q 140
PHE Q 165
ALA Q  38
 None
 0.44A 3itaD-5vl3Q:
undetectable		 3itaD-5vl3Q:
23.76
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.
5w57 PERIPLASMIC SOLUTE
BINDING PROTEIN

(Paracoccus
denitrificans) 		PF01297
(ZnuA) 		3 PRO A 271
PHE A 251
ALA A 305
 None
 0.51A 3itaD-5w57A:
undetectable		 3itaD-5w57A:
23.77
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.
5wwo ESSENTIAL NUCLEAR
PROTEIN 1

(Saccharomyces
cerevisiae) 		PF05291
(Bystin) 		3 PRO A 237
PHE A 278
ALA A 262
 None
 0.63A 3itaD-5wwoA:
undetectable		 3itaD-5wwoA:
22.74
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.
5y3b DIXIN

(Mus musculus) 		PF00778
(DIX) 		3 PRO A 457
PHE A 421
ALA A 465
 None
 0.71A 3itaD-5y3bA:
undetectable		 3itaD-5y3bA:
14.94
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.
5y3c DIXIN-A

(Danio rerio) 		PF00778
(DIX) 		3 PRO A 425
PHE A 389
ALA A 433
 None
 0.72A 3itaD-5y3cA:
undetectable		 3itaD-5y3cA:
15.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5z24 PILUS ASSEMBLY
PROTEIN

(Lactobacillus
rhamnosus) 		no annotation 3 PRO A 449
PHE A 379
ALA A 365
 None
 0.73A 3itaD-5z24A:
undetectable		 3itaD-5z24A:
14.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6dd6 PHOTOLYASE PHRB

(Agrobacterium
tumefaciens) 		no annotation 3 PRO A 405
PHE A 418
ALA A 321
 None
 0.72A 3itaD-6dd6A:
undetectable		 3itaD-6dd6A:
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.
6eo5 PPBBE-LIKE 1 D396N

(Physcomitrella
patens) 		no annotation 3 PRO A 106
PHE A 494
ALA A 232
 FAD  A 601 (-4.0A)
FAD  A 601 ( 4.5A)
FAD  A 601 (-3.3A)
 0.68A 3itaD-6eo5A:
undetectable		 3itaD-6eo5A:
14.49
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.
6fai ESSENTIAL NUCLEAR
PROTEIN 1

(Saccharomyces
cerevisiae) 		no annotation 3 PRO i 237
PHE i 278
ALA i 262
 None
 0.62A 3itaD-6faii:
undetectable		 3itaD-6faii:
12.99
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.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Cyanidioschyzon
merolae) 		no annotation 3 PRO B 354
PHE B 259
ALA B 360
 None
 0.68A 3itaD-6fosB:
undetectable		 3itaD-6fosB:
13.74
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.
6grw -

(-) 		no annotation 3 PRO A 134
PHE A 136
ALA A 422
 None
 0.61A 3itaD-6grwA:
undetectable		 3itaD-6grwA:
undetectable