SIMILAR PATTERNS OF AMINO ACIDS FOR 5I8F_A_ML1A210_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.
1bdg HEXOKINASE

(Schistosoma
mansoni) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		5 LEU A 443
VAL A 408
VAL A 236
TYR A 293
GLY A 389
 None
 1.27A 5i8fA-1bdgA:
0.0		 5i8fA-1bdgA:
15.79
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.
1c0i D-AMINO ACID OXIDASE

(Rhodotorula
toruloides) 		PF01266
(DAO) 		5 GLN A1253
VAL A1252
HIS A1280
VAL A1204
GLY A1274
 None
 1.24A 5i8fA-1c0iA:
0.0		 5i8fA-1c0iA:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cle CHOLESTEROL ESTERASE

([Candida]
cylindracea) 		PF00135
(COesterase) 		5 LEU A 302
VAL A 344
PHE A 345
TYR A 156
GLY A 122
 CLL  A 801 (-4.0A)
None
CLL  A 801 ( 4.9A)
None
CLL  A 801 (-4.3A)
 1.40A 5i8fA-1cleA:
0.0		 5i8fA-1cleA:
15.04
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.
1ehk BA3-TYPE
CYTOCHROME-C OXIDASE

(Thermus
thermophilus) 		PF00115
(COX1) 		5 LEU A 125
GLN A  67
VAL A  62
PHE A  61
GLY A  35
 None
 1.30A 5i8fA-1ehkA:
undetectable		 5i8fA-1ehkA:
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.
1ggv DIENELACTONE
HYDROLASE

(Pseudomonas
putida) 		PF01738
(DLH) 		5 ARG A 105
VAL A  59
LEU A 119
VAL A 132
GLY A  98
 None
 1.31A 5i8fA-1ggvA:
0.0		 5i8fA-1ggvA:
23.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jqb NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Clostridium
beijerinckii) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ARG A1301
LEU A1305
VAL A1314
VAL A1178
GLY A1158
 None
 1.21A 5i8fA-1jqbA:
0.0		 5i8fA-1jqbA:
19.61
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.
1sqi 4-HYDROXYPHENYLPYRUV
IC ACID DIOXYGENASE

(Rattus
norvegicus) 		PF00903
(Glyoxalase) 		5 PHE A  19
HIS A 144
VAL A  93
TYR A 255
GLY A 186
 None
 1.39A 5i8fA-1sqiA:
0.0		 5i8fA-1sqiA:
19.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t71 PHOSPHATASE

(Mycoplasma
pneumoniae) 		PF13277
(YmdB) 		5 ARG A  19
VAL A  40
LEU A  89
VAL A  83
GLY A  50
 None
 1.29A 5i8fA-1t71A:
0.0		 5i8fA-1t71A:
20.28
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.
1tex STF0
SULFOTRANSFERASE

(Mycolicibacterium
smegmatis) 		PF09037
(Sulphotransf) 		5 ARG A  26
VAL A 222
LEU A 229
VAL A  96
GLY A  99
 None
 1.41A 5i8fA-1texA:
0.0		 5i8fA-1texA:
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.
1z05 TRANSCRIPTIONAL
REGULATOR, ROK
FAMILY

(Vibrio cholerae) 		PF00480
(ROK) 		5 LEU A 124
GLN A 120
VAL A 171
LEU A 152
GLY A 161
 None
 1.27A 5i8fA-1z05A:
0.0		 5i8fA-1z05A:
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.
2chc PROTEIN RV3472

(Mycobacterium
tuberculosis) 		PF13577
(SnoaL_4) 		5 VAL A  66
LEU A 104
VAL A  93
TYR A  21
TYR A 109
 None
 1.45A 5i8fA-2chcA:
undetectable		 5i8fA-2chcA:
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.
2e7z ACETYLENE HYDRATASE
AHY

(Pelobacter
acetylenicus) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 LEU A 186
GLN A 182
LEU A 168
GLY A 171
LYS A 172
 None
None
None
MGD  A 802 (-3.5A)
None
 1.17A 5i8fA-2e7zA:
undetectable		 5i8fA-2e7zA:
12.30
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.
2ef4 ARGINASE

(Thermus
thermophilus) 		PF00491
(Arginase) 		5 LEU A 208
VAL A 115
LEU A 165
VAL A 186
GLY A 183
 None
 1.47A 5i8fA-2ef4A:
undetectable		 5i8fA-2ef4A:
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.
2ejb PROBABLE AROMATIC
ACID DECARBOXYLASE

(Aquifex
aeolicus) 		PF02441
(Flavoprotein) 		5 LEU A 177
VAL A  85
LEU A 123
VAL A 148
GLY A 145
 None
 1.49A 5i8fA-2ejbA:
undetectable		 5i8fA-2ejbA:
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.
2f5x BUGD

(Bordetella
pertussis) 		PF03401
(TctC) 		5 ARG A 259
LEU A 263
VAL A  99
HIS A 227
GLY A  16
 None
 1.39A 5i8fA-2f5xA:
undetectable		 5i8fA-2f5xA:
22.33
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.
2f8a GLUTATHIONE
PEROXIDASE 1

(Homo sapiens) 		PF00255
(GSHPx) 		5 PHE A 110
HIS A 121
LEU A 123
VAL A  14
GLY A  31
 None
 1.41A 5i8fA-2f8aA:
undetectable		 5i8fA-2f8aA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jgd 2-OXOGLUTARATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli) 		PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF16870
(OxoGdeHyase_C) 		5 LEU A 642
VAL A 611
PHE A 652
TYR A 578
GLY A 594
 None
 1.41A 5i8fA-2jgdA:
undetectable		 5i8fA-2jgdA:
12.62
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.
2o3e NEUROLYSIN

(Rattus
norvegicus) 		PF01432
(Peptidase_M3) 		5 LEU A 380
PHE A 382
LEU A 370
TYR A 642
GLY A 477
 None
 1.18A 5i8fA-2o3eA:
undetectable		 5i8fA-2o3eA:
12.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o3e NEUROLYSIN

(Rattus
norvegicus) 		PF01432
(Peptidase_M3) 		5 LEU A 397
VAL A 395
LEU A 449
VAL A 479
GLY A 430
 None
 1.40A 5i8fA-2o3eA:
undetectable		 5i8fA-2o3eA:
12.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ob1 LEUCINE CARBOXYL
METHYLTRANSFERASE 1

(Saccharomyces
cerevisiae) 		PF04072
(LCM) 		5 GLN A 306
VAL A  22
LEU A  25
TYR A 231
GLY A  77
 None
 1.34A 5i8fA-2ob1A:
undetectable		 5i8fA-2ob1A:
18.27
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.
2pgs PUTATIVE
DEOXYGUANOSINETRIPHO
SPHATE
TRIPHOSPHOHYDROLASE

(Pseudomonas
savastanoi) 		PF01966
(HD) 		5 LEU A 252
VAL A 342
LEU A 273
VAL A 274
GLY A 300
 None
 1.44A 5i8fA-2pgsA:
undetectable		 5i8fA-2pgsA:
19.13
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.
2qma DIAMINOBUTYRATE-PYRU
VATE TRANSAMINASE
AND
L-2,4-DIAMINOBUTYRAT
E DECARBOXYLASE

(Vibrio
parahaemolyticus) 		PF00282
(Pyridoxal_deC) 		5 ARG A 665
PHE A 721
LEU A 636
VAL A 676
GLY A 686
 None
 1.47A 5i8fA-2qmaA:
undetectable		 5i8fA-2qmaA:
15.79
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.
2qua EXTRACELLULAR LIPASE

(Serratia
marcescens) 		no annotation 5 LEU A  97
GLN A  96
PHE A 190
LEU A 196
GLY A 137
 None
 1.43A 5i8fA-2quaA:
undetectable		 5i8fA-2quaA:
13.56
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.
2r3s UNCHARACTERIZED
PROTEIN

(Nostoc
punctiforme) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		5 LEU A 252
GLN A 251
PHE A 224
LEU A 129
TYR A 305
 None
 1.41A 5i8fA-2r3sA:
undetectable		 5i8fA-2r3sA:
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.
2v6e PROTELEMORASE

(Klebsiella
phage phiKO2) 		PF16684
(Telomere_res) 		5 GLN A 427
VAL A 231
PHE A 428
LEU A 372
VAL A 368
 None
 1.27A 5i8fA-2v6eA:
undetectable		 5i8fA-2v6eA:
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.
2vca ALPHA-N-ACETYLGLUCOS
AMINIDASE

(Clostridium
perfringens) 		PF00754
(F5_F8_type_C)
PF05089
(NAGLU)
PF12971
(NAGLU_N)
PF12972
(NAGLU_C) 		5 LEU A 563
VAL A 544
PHE A 541
TYR A 825
GLY A 686
 None
None
None
NAG  A1912 (-3.8A)
None
 1.28A 5i8fA-2vcaA:
undetectable		 5i8fA-2vcaA:
10.53
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.
2w1z ROP2

(Toxoplasma
gondii) 		PF14531
(Kinase-like) 		5 LEU A 321
PHE A 323
HIS A 407
LEU A 431
GLY A 404
 None
 1.48A 5i8fA-2w1zA:
undetectable		 5i8fA-2w1zA:
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.
2wnb -

(Sus scrofa) 		PF00777
(Glyco_transf_29) 		5 LEU A 331
LEU A 263
VAL A 258
TYR A 250
GLY A 273
 None
None
None
None
C5P  A1344 (-3.2A)
 1.42A 5i8fA-2wnbA:
undetectable		 5i8fA-2wnbA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wu0 PHYTASE

(Klebsiella
pneumoniae) 		PF00328
(His_Phos_2) 		5 ARG A  76
LEU A  81
VAL A  19
LEU A 286
GLY A  68
 None
 1.17A 5i8fA-2wu0A:
undetectable		 5i8fA-2wu0A:
17.56
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.
2x7j 2-SUCCINYL-5-ENOLPYR
UVYL-6-HYDROXY-3-CYC
LOHEXENE
-1-CARBOXYLATE
SYNTHASE

(Bacillus
subtilis) 		PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
PF16582
(TPP_enzyme_M_2) 		5 VAL A 436
PHE A 401
LEU A  62
VAL A  97
GLY A 429
 None
 1.36A 5i8fA-2x7jA:
undetectable		 5i8fA-2x7jA:
13.81
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.
2xpp CHROMATIN STRUCTURE
MODULATOR
IWS1

(Encephalitozoon
cuniculi) 		PF08711
(Med26)
no annotation 		5 LEU A 141
VAL A 143
LEU A 116
TYR B  63
GLY A 121
 None
 1.31A 5i8fA-2xppA:
undetectable		 5i8fA-2xppA:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z8z LIPASE

(Pseudomonas sp.
MIS38) 		PF00353
(HemolysinCabind) 		5 LEU A  97
GLN A  96
PHE A 190
LEU A 196
GLY A 137
 None
 1.44A 5i8fA-2z8zA:
undetectable		 5i8fA-2z8zA:
14.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zsu SPERMIDINE SYNTHASE

(Pyrococcus
horikoshii) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLN A  32
LEU A 172
VAL A 160
TYR A  62
GLY A  85
 None
None
None
AG3  A1001 (-4.5A)
AG3  A1001 ( 4.9A)
 1.35A 5i8fA-2zsuA:
undetectable		 5i8fA-2zsuA:
22.42
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.
3a5i FLAGELLAR
BIOSYNTHESIS PROTEIN
FLHA

(Salmonella
enterica) 		PF00771
(FHIPEP) 		5 LEU A 628
GLN A 631
LEU A 669
VAL A 671
GLY A 601
 None
 1.38A 5i8fA-3a5iA:
undetectable		 5i8fA-3a5iA:
17.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3byv RHOPTRY KINASE

(Toxoplasma
gondii) 		PF14531
(Kinase-like) 		5 LEU A 410
VAL A 493
VAL A 429
TYR A 370
GLY A 440
 None
None
None
EDO  A 602 (-4.2A)
MG  A 601 ( 4.5A)
 1.44A 5i8fA-3byvA:
undetectable		 5i8fA-3byvA:
16.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e8p UNCHARACTERIZED
PROTEIN

(Shewanella
oneidensis) 		PF03061
(4HBT) 		5 VAL A  31
HIS A  34
LEU A  39
VAL A  51
GLY A  81
 None
 1.43A 5i8fA-3e8pA:
undetectable		 5i8fA-3e8pA:
19.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f8t PREDICTED ATPASE
INVOLVED IN
REPLICATION CONTROL,
CDC46/MCM FAMILY

(Methanopyrus
kandleri) 		PF00493
(MCM) 		5 LEU A  46
GLN A  43
PHE A  42
LEU A  33
VAL A  22
 None
 1.23A 5i8fA-3f8tA:
undetectable		 5i8fA-3f8tA:
18.45
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.
3few COLICIN S4

(Escherichia
coli) 		PF01024
(Colicin) 		5 LEU X 474
VAL X 477
LEU X 482
VAL X 340
GLY X 447
 None
 1.15A 5i8fA-3fewX:
undetectable		 5i8fA-3fewX:
14.81
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.
3fpc NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Entamoeba
histolytica;
Thermoanaerobacter
brockii) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ARG A 301
LEU A 305
VAL A 314
VAL A 178
GLY A 158
 None
 1.07A 5i8fA-3fpcA:
undetectable		 5i8fA-3fpcA:
20.34
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.
3fpl NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Clostridium
beijerinckii;
Thermoanaerobacter
brockii) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ARG A 301
LEU A 305
VAL A 314
VAL A 178
GLY A 158
 None
None
None
CL  A 354 (-4.0A)
None
 1.18A 5i8fA-3fplA:
undetectable		 5i8fA-3fplA:
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.
3fsr NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Clostridium
beijerinckii;
Thermoanaerobacter
brockii) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ARG A 301
LEU A 305
VAL A 314
VAL A 178
GLY A 158
 None
 1.18A 5i8fA-3fsrA:
undetectable		 5i8fA-3fsrA:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hiq VACUOLAR SAPORIN

(Saponaria
officinalis) 		PF00161
(RIP) 		5 LEU A  20
PHE A  19
LEU A  65
VAL A  74
TYR A 123
 None
 1.38A 5i8fA-3hiqA:
undetectable		 5i8fA-3hiqA:
20.12
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.
3hzu THIOSULFATE
SULFURTRANSFERASE
SSEA

(Mycobacterium
tuberculosis) 		PF00581
(Rhodanese) 		5 LEU A  64
LEU A 108
VAL A 119
TYR A 148
GLY A 115
 None
 0.98A 5i8fA-3hzuA:
undetectable		 5i8fA-3hzuA:
18.67
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.
3i2t EPIDERMAL GROWTH
FACTOR RECEPTOR,
ISOFORM A

(Drosophila
melanogaster) 		PF00757
(Furin-like)
PF01030
(Recep_L_domain)
PF14843
(GF_recep_IV) 		5 LEU A 359
VAL A 361
PHE A 362
VAL A 307
GLY A 313
 None
 1.44A 5i8fA-3i2tA:
undetectable		 5i8fA-3i2tA:
14.39
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.
3ibr BACTERIOPHYTOCHROME

(Pseudomonas
aeruginosa) 		PF00360
(PHY)
PF01590
(GAF)
PF08446
(PAS_2) 		5 GLN A  24
VAL A 243
HIS A 247
LEU A 251
VAL A 256
 None
BLA  A 900 ( 3.8A)
BLA  A 900 (-3.8A)
None
None
 1.22A 5i8fA-3ibrA:
undetectable		 5i8fA-3ibrA:
13.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ie5 PHENOLIC OXIDATIVE
COUPLING PROTEIN
HYP-1

(Hypericum
perforatum) 		PF00407
(Bet_v_1) 		7 ARG A  27
VAL A  38
HIS A  63
LEU A  65
VAL A  91
TYR A 101
TYR A 120
 PG4  A 502 (-4.6A)
None
None
None
PG4  A 502 ( 4.7A)
None
PG4  A 502 (-4.8A)
 1.31A 5i8fA-3ie5A:
26.8		 5i8fA-3ie5A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ie5 PHENOLIC OXIDATIVE
COUPLING PROTEIN
HYP-1

(Hypericum
perforatum) 		PF00407
(Bet_v_1) 		9 GLN A  35
VAL A  38
PHE A  39
HIS A  63
LEU A  65
VAL A  91
TYR A 101
TYR A 120
GLY A 136
 None
None
PG4  A 502 (-4.8A)
None
None
PG4  A 502 ( 4.7A)
None
PG4  A 502 (-4.8A)
PG4  A 502 ( 4.1A)
 0.88A 5i8fA-3ie5A:
26.8		 5i8fA-3ie5A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ie5 PHENOLIC OXIDATIVE
COUPLING PROTEIN
HYP-1

(Hypericum
perforatum) 		PF00407
(Bet_v_1) 		5 GLN A  35
VAL A  38
PHE A  39
HIS A  63
TYR A  84
 None
None
PG4  A 502 (-4.8A)
None
None
 0.89A 5i8fA-3ie5A:
26.8		 5i8fA-3ie5A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ie5 PHENOLIC OXIDATIVE
COUPLING PROTEIN
HYP-1

(Hypericum
perforatum) 		PF00407
(Bet_v_1) 		5 LEU A  31
VAL A  38
PHE A  39
HIS A  63
LEU A  65
 None
None
PG4  A 502 (-4.8A)
None
None
 1.03A 5i8fA-3ie5A:
26.8		 5i8fA-3ie5A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ie5 PHENOLIC OXIDATIVE
COUPLING PROTEIN
HYP-1

(Hypericum
perforatum) 		PF00407
(Bet_v_1) 		5 LEU A  31
VAL A  38
PHE A  39
HIS A  63
TYR A  84
 None
None
PG4  A 502 (-4.8A)
None
None
 1.23A 5i8fA-3ie5A:
26.8		 5i8fA-3ie5A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ie5 PHENOLIC OXIDATIVE
COUPLING PROTEIN
HYP-1

(Hypericum
perforatum) 		PF00407
(Bet_v_1) 		8 VAL A  38
HIS A  63
LEU A  65
VAL A  91
TYR A 101
TYR A 120
GLY A 136
LYS A 139
 None
None
None
PG4  A 502 ( 4.7A)
None
PG4  A 502 (-4.8A)
PG4  A 502 ( 4.1A)
None
 1.16A 5i8fA-3ie5A:
26.8		 5i8fA-3ie5A:
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.
3kbg 30S RIBOSOMAL
PROTEIN S4E

(Thermoplasma
acidophilum) 		PF00900
(Ribosomal_S4e)
PF01479
(S4) 		5 ARG A 139
VAL A  95
LEU A  40
VAL A  73
GLY A  70
 None
 1.42A 5i8fA-3kbgA:
undetectable		 5i8fA-3kbgA:
17.89
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.
3kfg MAJOR URINARY
PROTEIN 4

(Mus musculus) 		PF00061
(Lipocalin) 		5 LEU A 116
VAL A  40
LEU A  69
VAL A  82
GLY A  86
 2EH  A 301 (-4.9A)
2EH  A 301 (-4.2A)
None
None
None
 1.40A 5i8fA-3kfgA:
undetectable		 5i8fA-3kfgA:
24.04
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.
3kv6 JMJC
DOMAIN-CONTAINING
HISTONE
DEMETHYLATION
PROTEIN 1D

(Homo sapiens) 		PF00628
(PHD)
PF02373
(JmjC) 		5 VAL A 294
HIS A 293
LEU A 172
VAL A 239
GLY A 367
 None
None
None
None
OXY  A 492 ( 4.7A)
 1.46A 5i8fA-3kv6A:
undetectable		 5i8fA-3kv6A:
16.90
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.
3lku UPF0363 PROTEIN
YOR164C

(Saccharomyces
cerevisiae) 		PF04190
(DUF410) 		5 LEU A 245
GLN A 249
VAL A 237
PHE A 239
LYS A 211
 None
 1.27A 5i8fA-3lkuA:
undetectable		 5i8fA-3lkuA:
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.
3msg INTRA-CELLULAR
XYLANASE IXT6

(Geobacillus
stearothermophilus) 		PF00331
(Glyco_hydro_10) 		5 VAL A 288
PHE A  16
LEU A   8
VAL A 329
GLY A 272
 None
None
None
None
GOL  A 475 (-3.4A)
 1.37A 5i8fA-3msgA:
undetectable		 5i8fA-3msgA:
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.
3q98 TRANSCARBAMYLASE

(Escherichia
coli) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 LEU A 224
GLN A 253
VAL A 237
LEU A 205
GLY A 229
 None
 1.38A 5i8fA-3q98A:
undetectable		 5i8fA-3q98A:
18.45
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.
3r3c 4-HYDROXYBENZOYL-COA
THIOESTERASE

(Arthrobacter
sp.) 		PF03061
(4HBT) 		5 LEU A 129
VAL A 104
LEU A  56
VAL A  34
TYR A  26
 None
 1.49A 5i8fA-3r3cA:
undetectable		 5i8fA-3r3cA:
20.00
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.
3ulp SINGLE-STRAND
BINDING PROTEIN

(Plasmodium
falciparum) 		PF00436
(SSB) 		5 LEU A  82
HIS A 162
TYR A 156
GLY A 188
LYS A 187
 None
 1.48A 5i8fA-3ulpA:
undetectable		 5i8fA-3ulpA:
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.
3vor CFA/III PILIN

(Escherichia
coli) 		PF05946
(TcpA) 		5 LEU A 101
GLN A 105
VAL A   7
TYR A 130
GLY A  74
 None
 1.44A 5i8fA-3vorA:
undetectable		 5i8fA-3vorA:
24.02
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.
4ayg GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70) 		5 LEU A1230
LEU A1499
TYR A1209
TYR A1215
GLY A1408
 None
 1.33A 5i8fA-4aygA:
undetectable		 5i8fA-4aygA:
10.32
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.
4bxj AMPDH3

(Pseudomonas
aeruginosa) 		PF01510
(Amidase_2) 		5 LEU A  38
VAL A  71
HIS A  46
VAL A  23
GLY A  81
 None
 1.21A 5i8fA-4bxjA:
undetectable		 5i8fA-4bxjA:
22.18
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.
4dgk PHYTOENE
DEHYDROGENASE

(Pantoea
ananatis) 		PF01593
(Amino_oxidase) 		5 PHE A 185
LEU A 151
TYR A 405
TYR A 400
GLY A 328
 None
None
EDO  A 604 (-4.9A)
None
None
 1.45A 5i8fA-4dgkA:
undetectable		 5i8fA-4dgkA:
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.
4dnv AT5G63860/MGI19_6

(Arabidopsis
thaliana) 		PF00415
(RCC1) 		5 LEU A 133
VAL A 135
VAL A 229
TYR A 248
GLY A 195
 None
 1.38A 5i8fA-4dnvA:
undetectable		 5i8fA-4dnvA:
19.08
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.
4edp ABC TRANSPORTER,
SUBSTRATE-BINDING
PROTEIN

(Clostridium
perfringens) 		PF13416
(SBP_bac_8) 		5 LEU A 156
VAL A 209
LEU A 202
TYR A 258
GLY A 175
 None
 1.47A 5i8fA-4edpA:
undetectable		 5i8fA-4edpA:
19.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4evq PUTATIVE ABC
TRANSPORTER SUBUNIT,
SUBSTRATE-BINDING
COMPONENT

(Rhodopseudomonas
palustris) 		PF13458
(Peripla_BP_6) 		5 LEU A  49
VAL A 305
PHE A 306
HIS A 278
TYR A 178
 None
None
PHB  A 406 (-4.4A)
None
PHB  A 406 ( 4.3A)
 1.26A 5i8fA-4evqA:
undetectable		 5i8fA-4evqA:
19.09
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.
4fxd DNA POLYMERASE ALPHA
CATALYTIC SUBUNIT A

(Saccharomyces
cerevisiae) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 LEU A 466
PHE A 471
LEU A 446
VAL A 448
TYR A 418
 None
 1.34A 5i8fA-4fxdA:
undetectable		 5i8fA-4fxdA:
11.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gl2 INTERFERON-INDUCED
HELICASE C
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00271
(Helicase_C)
PF04851
(ResIII)
PF11648
(RIG-I_C-RD) 		5 LEU A 372
VAL A 340
PHE A 377
TYR A 454
GLY A 486
 None
 1.49A 5i8fA-4gl2A:
undetectable		 5i8fA-4gl2A:
13.72
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.
4jro FABG PROTEIN

(Listeria
monocytogenes) 		PF13561
(adh_short_C2) 		5 GLN A 152
VAL A 156
LEU A 146
VAL A 246
GLY A 186
 None
 1.34A 5i8fA-4jroA:
undetectable		 5i8fA-4jroA:
25.30
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.
4knt MULTICOPPER OXIDASE
TYPE 1

(Nitrosomonas
europaea) 		PF07732
(Cu-oxidase_3) 		5 ARG A 309
LEU A 307
VAL A 183
TYR A  47
GLY A 135
 None
 1.13A 5i8fA-4kntA:
undetectable		 5i8fA-4kntA:
19.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4knt MULTICOPPER OXIDASE
TYPE 1

(Nitrosomonas
europaea) 		PF07732
(Cu-oxidase_3) 		5 ARG A 309
VAL A 216
VAL A 183
TYR A  47
GLY A 135
 None
 1.35A 5i8fA-4kntA:
undetectable		 5i8fA-4kntA:
19.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l22 PHOSPHORYLASE

(Streptococcus
mutans) 		PF00343
(Phosphorylase) 		5 GLN A 593
PHE A 609
VAL A 580
GLY A 534
LYS A 497
 None
 1.41A 5i8fA-4l22A:
undetectable		 5i8fA-4l22A:
12.86
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.
4qc6 BIFUNCTIONAL AAC/APH

(Staphylococcus
warneri) 		PF13523
(Acetyltransf_8) 		5 LEU A 135
VAL A 133
TYR A  34
TYR A  50
GLY A  73
 None
None
KAN  A 201 ( 3.6A)
KAN  A 201 ( 3.9A)
None
 1.42A 5i8fA-4qc6A:
undetectable		 5i8fA-4qc6A:
24.35
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.
4r1i AMINOBENZOYL-GLUTAMA
TE TRANSPORTER

(Neisseria
gonorrhoeae) 		PF03806
(ABG_transport) 		5 LEU A 356
LEU A  29
VAL A 422
TYR A 445
GLY A 414
 None
 1.26A 5i8fA-4r1iA:
undetectable		 5i8fA-4r1iA:
14.82
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.
4v0h METALLO-BETA-LACTAMA
SE DOMAIN-CONTAINING
PROTEIN 1 1

(Homo sapiens) 		PF00753
(Lactamase_B) 		5 ARG A  93
LEU A 128
VAL A 110
PHE A 129
GLY A  98
 None
 1.35A 5i8fA-4v0hA:
undetectable		 5i8fA-4v0hA:
18.96
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.
4wdr HALOALKANE
DEHALOGENASE

(Sphingobium
japonicum) 		PF00561
(Abhydrolase_1) 		5 GLN A 275
HIS A 272
LEU A 248
TYR A 227
GLY A 110
 None
 1.31A 5i8fA-4wdrA:
undetectable		 5i8fA-4wdrA:
20.41
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.
5ah1 TRIACYLGLYCEROL
LIPASE

(Clostridium
botulinum) 		no annotation 5 VAL A 386
PHE A 356
HIS A 426
VAL A 430
GLY A  88
 None
 1.42A 5i8fA-5ah1A:
undetectable		 5i8fA-5ah1A:
14.85
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.
5cad SM80.1 VICILIN

(Solanum
melongena) 		PF00190
(Cupin_1) 		5 LEU A  33
VAL A  53
PHE A  19
VAL A 271
GLY A 336
 None
 1.44A 5i8fA-5cadA:
undetectable		 5i8fA-5cadA:
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.
5cdf ATP SYNTHASE SUBUNIT
BETA

(Paracoccus
denitrificans) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		5 ARG E 291
LEU E 233
VAL E 251
PHE E 249
GLY E 286
 None
 1.48A 5i8fA-5cdfE:
undetectable		 5i8fA-5cdfE:
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.
5dj4 SESTRIN-2

(Homo sapiens) 		PF04636
(PA26) 		5 LEU A  79
VAL A  81
LEU A  85
VAL A 453
TYR A 424
 None
 1.43A 5i8fA-5dj4A:
undetectable		 5i8fA-5dj4A:
15.56
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.
5e9a BETA-GALACTOSIDASE

(Rahnella sp. R3) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		5 GLN A 350
VAL A  46
LEU A  76
VAL A  72
GLY A  50
 None
 1.40A 5i8fA-5e9aA:
undetectable		 5i8fA-5e9aA:
13.15
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.
5e9a BETA-GALACTOSIDASE

(Rahnella sp. R3) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		5 VAL A 463
PHE A 489
LEU A 468
VAL A 471
GLY A 474
 None
 1.37A 5i8fA-5e9aA:
undetectable		 5i8fA-5e9aA:
13.15
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.
5h83 HETEROYOHIMBINE
SYNTHASE HYS

(Catharanthus
roseus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ARG A  33
VAL A  95
PHE A  43
VAL A 350
GLY A  72
 None
 1.15A 5i8fA-5h83A:
undetectable		 5i8fA-5h83A:
21.14
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.
5jtv UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 7

(Homo sapiens) 		PF00443
(UCH)
PF14533
(USP7_C2) 		5 LEU A 469
VAL A 485
PHE A 480
LEU A 216
TYR A 243
 None
 1.37A 5i8fA-5jtvA:
undetectable		 5i8fA-5jtvA:
16.73
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.
5khn RND TRANSPORTER

(Burkholderia
multivorans) 		no annotation 5 LEU B 845
PHE B 823
VAL B 385
TYR B 791
GLY B 342
 None
 1.25A 5i8fA-5khnB:
undetectable		 5i8fA-5khnB:
10.83
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.
5vcs ALPHA-1,6-MANNOSYL-G
LYCOPROTEIN
2-BETA-N-ACETYLGLUCO
SAMINYLTRANSFERASE

(Homo sapiens) 		no annotation 5 LEU A 134
VAL A 124
HIS A 153
VAL A 172
GLY A 166
 None
 1.23A 5i8fA-5vcsA:
undetectable		 5i8fA-5vcsA:
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.
5vf5 SM80.1 VICILIN

(Solanum
melongena) 		no annotation 5 LEU A  33
VAL A  53
PHE A  19
VAL A 270
GLY A 341
 None
 1.40A 5i8fA-5vf5A:
undetectable		 5i8fA-5vf5A:
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.
5wrt SOLUBLE INORGANIC
PYROPHOSPHATASE

(Toxoplasma
gondii) 		no annotation 5 ARG A 261
LEU A 218
VAL A 197
VAL A 249
GLY A 255
 None
 1.44A 5i8fA-5wrtA:
undetectable		 5i8fA-5wrtA:
20.09
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.
5yhj CYTOCHROME P450

(Exiguobacterium
sp. AT1b) 		no annotation 5 GLN A   8
PHE A  37
LEU A 311
VAL A 288
GLY A  21
 None
 1.13A 5i8fA-5yhjA:
undetectable		 5i8fA-5yhjA:
23.60
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.
5z5d BETA-XYLOSIDASE

(Geobacillus
thermoleovorans) 		no annotation 5 GLN A  60
VAL A  99
LEU A  77
VAL A  27
GLY A  52
 None
 1.38A 5i8fA-5z5dA:
undetectable		 5i8fA-5z5dA:
19.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6a2f -

(-) 		no annotation 5 ARG A 293
LEU A 328
LEU A 305
VAL A 307
GLY A 284
 None
 1.37A 5i8fA-6a2fA:
undetectable		 5i8fA-6a2fA:
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.
6apg DISD PROTEIN

(Sorangium
cellulosum) 		no annotation 5 GLN A  58
LEU A  35
VAL A  34
TYR A 209
GLY A 104
 MLI  A 301 ( 4.6A)
None
None
None
None
 1.36A 5i8fA-6apgA:
undetectable		 5i8fA-6apgA:
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.
6emk SERINE/THREONINE-PRO
TEIN KINASE TOR2

(Saccharomyces
cerevisiae) 		no annotation 5 LEU A 242
LEU A 280
VAL A 330
GLY A 287
LYS A 288
 None
 1.34A 5i8fA-6emkA:
undetectable		 5i8fA-6emkA:
21.71