SIMILAR PATTERNS OF AMINO ACIDS FOR 4IAQ_A_2GMA2001

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.
1ae9 LAMBDA INTEGRASE

(Escherichia
virus Lambda) 		PF00589
(Phage_integrase) 		5 LEU A 266
CYH A 217
ALA A 206
PHE A 307
THR A 284
 None
 1.41A 4iaqA-1ae9A:
undetectable		 4iaqA-1ae9A:
17.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gzv GLUCOSE-6-PHOSPHATE
ISOMERASE

(Sus scrofa) 		PF00342
(PGI) 		5 ASP A 355
ALA A 320
TRP A 504
MET A  83
PHE A 509
 None
 1.33A 4iaqA-1gzvA:
undetectable		 4iaqA-1gzvA:
22.38
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.
1l1e MYCOLIC ACID
SYNTHASE

(Mycobacterium
tuberculosis) 		PF02353
(CMAS) 		5 LEU A 165
PHE A 150
PHE A 142
PHE A 151
THR A 154
 None
None
SAH  A 900 ( 4.7A)
None
None
 1.17A 4iaqA-1l1eA:
undetectable		 4iaqA-1l1eA:
19.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mb9 BETA-LACTAM
SYNTHETASE

(Streptomyces
clavuligerus) 		PF00733
(Asn_synthase)
PF13537
(GATase_7) 		5 LEU A 337
ALA A  53
PHE A  10
LEU A 327
THR A 395
 None
 1.43A 4iaqA-1mb9A:
undetectable		 4iaqA-1mb9A:
21.28
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.
1p7d INTEGRASE

(Escherichia
virus Lambda) 		PF00589
(Phage_integrase)
PF02899
(Phage_int_SAM_1) 		5 LEU A 266
CYH A 217
ALA A 206
PHE A 307
THR A 284
 None
 1.44A 4iaqA-1p7dA:
undetectable		 4iaqA-1p7dA:
22.36
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.
1qaf PROTEIN (COPPER
AMINE OXIDASE)

(Escherichia
coli) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3)
PF07833
(Cu_amine_oxidN1) 		5 LEU A 534
VAL A 681
PHE A 580
LEU A 362
THR A 706
 None
 1.38A 4iaqA-1qafA:
undetectable		 4iaqA-1qafA:
19.23
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.
1rh9 ENDO-BETA-MANNANASE

(Solanum
lycopersicum) 		PF00150
(Cellulase) 		5 ALA A 348
PHE A  40
LEU A 236
PHE A 273
THR A  35
 None
 1.45A 4iaqA-1rh9A:
undetectable		 4iaqA-1rh9A:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t34 ATRIAL NATRIURETIC
PEPTIDE RECEPTOR A

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		5 LEU A 151
VAL A 203
ALA A 277
PHE A 219
PHE A 188
 None
 1.40A 4iaqA-1t34A:
undetectable		 4iaqA-1t34A:
22.84
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.
1tnu GERANYLGERANYL
TRANSFERASE TYPE I
BETA SUBUNIT

(Rattus
norvegicus) 		PF00432
(Prenyltrans) 		5 CYH B 225
ALA B 278
PHE B 274
LEU B  48
PHE B  52
 MGM  B 379 ( 3.9A)
None
None
None
None
 1.43A 4iaqA-1tnuB:
undetectable		 4iaqA-1tnuB:
20.05
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.
1wuu GALACTOKINASE

(Homo sapiens) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg) 		5 LEU A 333
VAL A 338
PHE A 378
LEU A  40
THR A 352
 None
 1.42A 4iaqA-1wuuA:
2.0		 4iaqA-1wuuA:
19.86
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.
1xec DECORIN

(Bos taurus) 		PF01462
(LRRNT)
PF13855
(LRR_8) 		5 LEU A 112
VAL A 128
PHE A 141
PHE A 167
LEU A 102
 None
 1.26A 4iaqA-1xecA:
undetectable		 4iaqA-1xecA:
20.29
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.
1yvl SIGNAL TRANSDUCER
AND ACTIVATOR OF
TRANSCRIPTION
1-ALPHA/BETA

(Homo sapiens) 		PF00017
(SH2)
PF01017
(STAT_alpha)
PF02864
(STAT_bind)
PF02865
(STAT_int) 		5 LEU A 464
CYH A 543
VAL A 334
PHE A 487
THR A 427
 None
 1.31A 4iaqA-1yvlA:
undetectable		 4iaqA-1yvlA:
20.23
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.
2b8n GLYCERATE KINASE,
PUTATIVE

(Thermotoga
maritima) 		PF05161
(MOFRL)
PF13660
(DUF4147) 		5 LEU A  42
ALA A 180
PHE A 173
LEU A 128
PHE A 129
 None
 1.18A 4iaqA-2b8nA:
undetectable		 4iaqA-2b8nA:
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.
2bi7 UDP-GALACTOPYRANOSE
MUTASE

(Klebsiella
pneumoniae) 		PF03275
(GLF)
PF13450
(NAD_binding_8) 		5 LEU A 175
VAL A 177
ALA A 150
PHE A 108
PHE A 107
 None
 1.33A 4iaqA-2bi7A:
undetectable		 4iaqA-2bi7A:
21.05
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.
2c91 AFLATOXIN B1
ALDEHYDE REDUCTASE
MEMBER 2

(Mus musculus) 		PF00248
(Aldo_ket_red) 		5 LEU A  32
VAL A  28
ALA A  71
MET A 285
THR A   8
 None
 1.38A 4iaqA-2c91A:
undetectable		 4iaqA-2c91A:
22.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cxn GLUCOSE-6-PHOSPHATE
ISOMERASE

(Mus musculus) 		PF00342
(PGI) 		5 ASP A 356
ALA A 321
TRP A 505
MET A  84
PHE A 510
 None
 1.27A 4iaqA-2cxnA:
undetectable		 4iaqA-2cxnA:
23.18
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.
2e4u METABOTROPIC
GLUTAMATE RECEPTOR 3

(Rattus
norvegicus) 		PF01094
(ANF_receptor)
PF07562
(NCD3G) 		5 LEU A 161
VAL A 145
MET A  72
PHE A  45
THR A  98
 None
 1.28A 4iaqA-2e4uA:
undetectable		 4iaqA-2e4uA:
19.46
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.
2fja ADENYLYLSULFATE
REDUCTASE, SUBUNIT A

(Archaeoglobus
fulgidus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 LEU A 340
ALA A 284
PHE A 266
LEU A 363
PHE A 362
 None
 1.37A 4iaqA-2fjaA:
2.5		 4iaqA-2fjaA:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hoe N-ACETYLGLUCOSAMINE
KINASE

(Thermotoga
maritima) 		PF00480
(ROK) 		5 VAL A 250
PHE A 312
PHE A 319
PHE A 311
THR A 208
 None
 1.43A 4iaqA-2hoeA:
undetectable		 4iaqA-2hoeA:
21.35
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.
2isb FUMARASE

(Archaeoglobus
fulgidus) 		PF05683
(Fumerase_C) 		5 LEU A  95
VAL A  98
ALA A  42
PHE A  32
PHE A  54
 None
 1.39A 4iaqA-2isbA:
undetectable		 4iaqA-2isbA:
19.85
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.
2jl4 MALEYLPYRUVATE
ISOMERASE

(Ralstonia sp.
U2) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		5 LEU A 162
ASP A 164
CYH A 194
ALA A 199
THR A 159
 None
 1.37A 4iaqA-2jl4A:
2.4		 4iaqA-2jl4A:
19.85
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.
2nya PERIPLASMIC NITRATE
REDUCTASE

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 LEU A 232
ASP A 228
VAL A 351
ALA A 178
LEU A 776
 None
MGD  A4001 (-3.2A)
None
MGD  A4001 ( 4.4A)
None
 1.34A 4iaqA-2nyaA:
undetectable		 4iaqA-2nyaA:
18.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q8h [PYRUVATE
DEHYDROGENASE
[LIPOAMIDE]] KINASE
ISOZYME 1

(Homo sapiens) 		PF02518
(HATPase_c)
PF10436
(BCDHK_Adom3) 		5 LEU A  83
ALA A 129
LEU A 200
PHE A 202
THR A 139
 None
 1.42A 4iaqA-2q8hA:
2.3		 4iaqA-2q8hA:
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.
2vmf BETA-MANNOSIDASE

(Bacteroides
thetaiotaomicron) 		PF00703
(Glyco_hydro_2) 		5 VAL A 187
ALA A 466
PHE A 476
PHE A 472
PHE A 172
 None
 1.37A 4iaqA-2vmfA:
undetectable		 4iaqA-2vmfA:
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.
2wtk STE20-RELATED KINASE
ADAPTER PROTEIN
ALPHA

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU B 390
ALA B 273
PHE B 378
PHE B 352
PHE B 379
 None
 1.41A 4iaqA-2wtkB:
undetectable		 4iaqA-2wtkB:
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.
2z22 PERIPLASMIC
PHOSPHATE-BINDING
PROTEIN

(Yersinia pestis) 		no annotation 5 ALA X  20
PHE X 277
PHE X 276
PHE X  72
THR X  74
 None
 1.38A 4iaqA-2z22X:
undetectable		 4iaqA-2z22X:
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.
2zkt 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Pyrococcus
horikoshii) 		PF01676
(Metalloenzyme)
PF10143
(PhosphMutase) 		5 LEU A  12
ALA A 259
PHE A  68
MET A 400
LEU A 388
 None
 1.39A 4iaqA-2zktA:
undetectable		 4iaqA-2zktA:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a9v 4-COUMARATE--COA
LIGASE

(Populus
tomentosa) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 LEU A 230
CYH A 244
ALA A 250
PHE A 220
LEU A 326
 None
 1.30A 4iaqA-3a9vA:
undetectable		 4iaqA-3a9vA:
24.06
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.
3ak1 SUPEROXIDE DISMUTASE
[MN/FE]

(Aeropyrum
pernix) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		5 LEU A 199
TRP A 187
PHE A 114
PHE A 118
PHE A 108
 None
 1.34A 4iaqA-3ak1A:
undetectable		 4iaqA-3ak1A:
19.75
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.
3ak5 HEMOGLOBIN-BINDING
PROTEASE HBP

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		5 LEU A 774
VAL A 772
ALA A 804
LEU A 655
THR A 732
 None
 1.37A 4iaqA-3ak5A:
undetectable		 4iaqA-3ak5A:
16.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aqp PROBABLE SECDF
PROTEIN-EXPORT
MEMBRANE PROTEIN

(Thermus
thermophilus) 		PF02355
(SecD_SecF)
PF07549
(Sec_GG) 		5 LEU A 382
ALA A 625
PHE A 399
LEU A 315
THR A 334
 None
 1.35A 4iaqA-3aqpA:
undetectable		 4iaqA-3aqpA:
21.23
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.
3b78 EXOTOXIN A

(Pseudomonas
aeruginosa) 		PF09009
(Exotox-A_cataly) 		5 ASP B 406
ALA B 399
PHE B 452
LEU B 444
PHE B 409
 None
 1.34A 4iaqA-3b78B:
undetectable		 4iaqA-3b78B:
18.77
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.
3cv2 MALATE SYNTHASE A

(Escherichia
coli) 		PF01274
(Malate_synthase) 		5 ALA A 245
TRP A 225
PHE A 191
PHE A 229
PHE A  32
 None
 1.41A 4iaqA-3cv2A:
undetectable		 4iaqA-3cv2A:
22.24
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.
3etc AMP-BINDING PROTEIN

(Methanosarcina
acetivorans) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 CYH A 205
VAL A  39
PHE A  32
LEU A   5
PHE A   8
 None
 1.45A 4iaqA-3etcA:
undetectable		 4iaqA-3etcA:
21.47
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.
3fpz THIAZOLE
BIOSYNTHETIC ENZYME

(Saccharomyces
cerevisiae) 		PF01946
(Thi4) 		5 VAL A 156
ALA A 317
PHE A 125
LEU A 147
PHE A 148
 None
 1.32A 4iaqA-3fpzA:
undetectable		 4iaqA-3fpzA:
19.52
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.
3hqg TYPE-2 RESTRICTION
ENZYME ECORII

(Escherichia
coli) 		PF09019
(EcoRII-C) 		5 LEU A 270
VAL A 323
PHE A 278
PHE A 286
PHE A 392
 None
 0.95A 4iaqA-3hqgA:
2.6		 4iaqA-3hqgA:
20.74
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.
3jsk CYPBP37 PROTEIN

(Neurospora
crassa) 		PF01946
(Thi4) 		5 VAL A 170
ALA A 327
PHE A 139
LEU A 161
PHE A 162
 None
 1.24A 4iaqA-3jskA:
undetectable		 4iaqA-3jskA:
21.96
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.
3jtx AMINOTRANSFERASE

(Neisseria
meningitidis) 		PF00155
(Aminotran_1_2) 		5 LEU A 262
ALA A 226
TRP A 189
PHE A 193
PHE A 201
 None
 1.14A 4iaqA-3jtxA:
undetectable		 4iaqA-3jtxA:
24.00
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.
3kg7 CURH

(Lyngbya
majuscula) 		PF14765
(PS-DH) 		5 LEU A1121
VAL A1133
PHE A1174
LEU A 989
THR A1170
 None
 1.40A 4iaqA-3kg7A:
undetectable		 4iaqA-3kg7A:
22.66
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.
3myu HIGH AFFINITY
TRANSPORT SYSTEM
PROTEIN P37

(Mycoplasma
genitalium) 		PF06646
(Mycoplasma_p37) 		5 LEU A 331
ASP A 337
PHE A  93
LEU A  34
PHE A  91
 None
 1.13A 4iaqA-3myuA:
undetectable		 4iaqA-3myuA:
22.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pbl D(3) DOPAMINE
RECEPTOR, LYSOZYME
CHIMERA

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 ASP A 110
TRP A 342
PHE A 345
PHE A 346
THR A 369
 ETQ  A1200 (-3.5A)
None
ETQ  A1200 (-4.4A)
ETQ  A1200 ( 4.5A)
ETQ  A1200 (-4.5A)
 0.67A 4iaqA-3pblA:
30.9		 4iaqA-3pblA:
30.47
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.
3pef 6-PHOSPHOGLUCONATE
DEHYDROGENASE,
NAD-BINDING

(Geobacter
metallireducens) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		5 ALA A 137
PHE A 151
MET A  16
PHE A   6
THR A  61
 None
 1.18A 4iaqA-3pefA:
undetectable		 4iaqA-3pefA:
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.
3pfe SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE

(Legionella
pneumophila) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 LEU A 337
VAL A 313
PHE A 319
PHE A 235
THR A 333
 None
 1.38A 4iaqA-3pfeA:
undetectable		 4iaqA-3pfeA:
21.17
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.
3ppc 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE

(Candida
albicans) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		5 LEU A 603
VAL A 600
ALA A 673
PHE A 641
THR A 568
 None
 1.32A 4iaqA-3ppcA:
undetectable		 4iaqA-3ppcA:
20.30
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.
3qnq PTS SYSTEM,
CELLOBIOSE-SPECIFIC
IIC COMPONENT

(Bacillus cereus) 		PF02378
(PTS_EIIC) 		5 ALA A 237
PHE A 288
PHE A 289
LEU A 371
THR A 283
 None
 1.00A 4iaqA-3qnqA:
2.3		 4iaqA-3qnqA:
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.
3s6j HYDROLASE, HALOACID
DEHALOGENASE-LIKE
FAMILY

(Pseudomonas
syringae group
genomosp. 3) 		PF13419
(HAD_2) 		5 LEU A 291
ASP A 273
ALA A 281
PHE A 254
LEU A 231
 None
CA  A   4 (-2.5A)
None
None
None
 1.21A 4iaqA-3s6jA:
undetectable		 4iaqA-3s6jA:
21.91
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.
3sm9 METABOTROPIC
GLUTAMATE RECEPTOR 3

(Homo sapiens) 		PF01094
(ANF_receptor) 		5 LEU A 136
VAL A 120
MET A  47
PHE A  20
THR A  73
 None
None
None
None
CL  A 486 (-3.1A)
 1.30A 4iaqA-3sm9A:
undetectable		 4iaqA-3sm9A:
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.
3tma METHYLTRANSFERASE

(Thermus
thermophilus) 		PF01170
(UPF0020)
PF02926
(THUMP) 		5 LEU A 332
VAL A 294
ALA A 244
PHE A 192
THR A 298
 None
 1.29A 4iaqA-3tmaA:
undetectable		 4iaqA-3tmaA:
21.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ujg SERINE/THREONINE-PRO
TEIN KINASE SRK2E

(Arabidopsis
thaliana) 		PF00069
(Pkinase) 		5 LEU A 141
VAL A 128
ALA A 184
PHE A 121
THR A 206
 None
 1.42A 4iaqA-3ujgA:
2.9		 4iaqA-3ujgA:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w6v ADPA

(Streptomyces
griseus) 		PF12833
(HTH_18) 		5 LEU A 241
ALA A 257
PHE A 268
PHE A 264
THR A 272
 None
 1.29A 4iaqA-3w6vA:
undetectable		 4iaqA-3w6vA:
15.96
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.
3wx7 CHITIN
OLIGOSACCHARIDE
DEACETYLASE

(Vibrio
parahaemolyticus) 		PF01522
(Polysacc_deac_1) 		5 LEU A 257
ASP A 254
VAL A 286
PHE A 314
PHE A 325
 None
 1.17A 4iaqA-3wx7A:
undetectable		 4iaqA-3wx7A:
20.96
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.
3x0v L-LYSINE OXIDASE

(Trichoderma
viride) 		PF01593
(Amino_oxidase) 		5 LEU A 441
ALA A 308
MET A 161
LEU A 149
PHE A 157
 None
 1.32A 4iaqA-3x0vA:
undetectable		 4iaqA-3x0vA:
21.09
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.
4dmg PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA1493

(Thermus
thermophilus) 		PF02475
(Met_10) 		5 ALA A  51
PHE A  77
MET A 127
LEU A 138
PHE A  78
 None
 1.27A 4iaqA-4dmgA:
undetectable		 4iaqA-4dmgA:
22.79
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.
4e4j ARGININE DEIMINASE

(Mycoplasma
penetrans) 		PF02274
(Amidinotransf) 		5 LEU A 314
ASP A 315
CYH A 440
LEU A 371
THR A 393
 None
 1.39A 4iaqA-4e4jA:
undetectable		 4iaqA-4e4jA:
22.01
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.
4gt2 PUTATIVE
UNCHARACTERIZED
PROTEIN SCO3963

(Streptomyces
coelicolor) 		no annotation 5 LEU B 117
ALA B 432
PHE B  82
LEU B 210
THR B 124
 None
 1.14A 4iaqA-4gt2B:
undetectable		 4iaqA-4gt2B:
23.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gxr MALONYL COA
SYNTHETASE,
BENZOATE-COA LIGASE
CHIMERIC PROTEIN

(Paraburkholderia
xenovorans;
Rhodopseudomonas
palustris) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 LEU A  50
ALA A 143
LEU A   5
PHE A   6
THR A 149
 None
 1.38A 4iaqA-4gxrA:
undetectable		 4iaqA-4gxrA:
23.16
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.
4hdt 3-HYDROXYISOBUTYRYL-
COA HYDROLASE

(Mycolicibacterium
thermoresistibile) 		PF16113
(ECH_2) 		5 VAL A 126
ALA A 209
PHE A 195
LEU A  64
THR A 196
 None
 1.23A 4iaqA-4hdtA:
undetectable		 4iaqA-4hdtA:
22.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ib4 CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 2B AND E.
COLI SOLUBLE
CYTOCHROME B562

(Escherichia
coli;
Homo sapiens) 		PF00001
(7tm_1)
PF07361
(Cytochrom_B562) 		6 LEU A 132
ASP A 135
ALA A 225
TRP A 337
PHE A 340
PHE A 341
 None
ERM  A2001 (-3.2A)
ERM  A2001 (-3.4A)
None
ERM  A2001 (-4.3A)
None
 0.31A 4iaqA-4ib4A:
33.2		 4iaqA-4ib4A:
49.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ib4 CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 2B AND E.
COLI SOLUBLE
CYTOCHROME B562

(Escherichia
coli;
Homo sapiens) 		PF00001
(7tm_1)
PF07361
(Cytochrom_B562) 		5 LEU A 209
ALA A 225
TRP A 337
PHE A 340
PHE A 341
 ERM  A2001 (-3.7A)
ERM  A2001 (-3.4A)
None
ERM  A2001 (-4.3A)
None
 1.38A 4iaqA-4ib4A:
33.2		 4iaqA-4ib4A:
49.54
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.
4ks9 MALONYL-COA
DECARBOXYLASE

(Cupriavidus
metallidurans) 		PF05292
(MCD)
PF17408
(MCD_N) 		5 LEU A 104
ASP A 165
ALA A  94
PHE A 158
PHE A 142
 None
 1.44A 4iaqA-4ks9A:
undetectable		 4iaqA-4ks9A:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n4g ZINC FINGER MYND
DOMAIN-CONTAINING
PROTEIN 11

(Mus musculus) 		PF00439
(Bromodomain)
PF00855
(PWWP) 		5 ASP A 307
ALA A 286
PHE A 310
LEU A 264
PHE A 273
 None
 1.30A 4iaqA-4n4gA:
3.4		 4iaqA-4n4gA:
18.72
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.
4nge PRESEQUENCE
PROTEASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF08367
(M16C_assoc) 		5 LEU D 160
PHE D 168
PHE D 288
LEU D 145
THR D 167
 None
None
MLY  D 287 ( 4.0A)
None
None
 1.43A 4iaqA-4ngeD:
2.6		 4iaqA-4ngeD:
17.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ns5 ZINC FINGER MYND
DOMAIN-CONTAINING
PROTEIN 11

(Homo sapiens) 		PF00439
(Bromodomain)
PF00855
(PWWP) 		5 ASP A 307
ALA A 286
PHE A 310
LEU A 264
PHE A 273
 None
 1.32A 4iaqA-4ns5A:
3.2		 4iaqA-4ns5A:
17.87
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.
4nz5 DEACETYLASE DA1

(Vibrio cholerae) 		PF01522
(Polysacc_deac_1) 		5 LEU A 261
ASP A 258
VAL A 290
PHE A 318
PHE A 329
 None
 1.19A 4iaqA-4nz5A:
undetectable		 4iaqA-4nz5A:
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.
4p69 ISOCITRATE
DEHYDROGENASE
KINASE/PHOSPHATASE

(Escherichia
coli) 		PF06315
(AceK) 		5 LEU A 413
ALA A 370
LEU A 305
PHE A 331
THR A 327
 None
 1.42A 4iaqA-4p69A:
undetectable		 4iaqA-4p69A:
20.24
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.
4pxn UNCHARACTERIZED
PROTEIN

(Zea mays) 		PF00171
(Aldedh) 		5 LEU A 340
PHE A 167
LEU A 398
PHE A 399
THR A 303
 None
None
None
NAD  A 601 (-3.9A)
None
 1.22A 4iaqA-4pxnA:
undetectable		 4iaqA-4pxnA:
22.26
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.
4wmj GLUCOSE-6-PHOSPHATE
ISOMERASE

(Colias
eurytheme) 		PF00342
(PGI) 		5 ASP A 359
ALA A 324
TRP A 508
MET A  88
PHE A 513
 None
 1.27A 4iaqA-4wmjA:
undetectable		 4iaqA-4wmjA:
22.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5f8u BETA-1 ADRENERGIC
RECEPTOR

(Meleagris
gallopavo) 		no annotation 5 ASP B 121
TRP B 303
PHE B 306
PHE B 307
PHE B 325
 P32  B 400 (-2.2A)
None
P32  B 400 (-4.1A)
P32  B 400 (-4.9A)
None
 0.82A 4iaqA-5f8uB:
31.9		 4iaqA-5f8uB:
31.36
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.
5fbh EXTRACELLULAR
CALCIUM-SENSING
RECEPTOR

(Homo sapiens) 		no annotation 5 LEU B 157
VAL B 141
MET B  74
PHE B  38
THR B 100
 None
None
None
None
CL  B 605 (-2.8A)
 1.34A 4iaqA-5fbhB:
undetectable		 4iaqA-5fbhB:
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.
5gnm VITAMIN D(3)
25-HYDROXYLASE

(Pseudonocardia
autotrophica) 		PF00067
(p450) 		5 LEU A 312
TRP A  19
PHE A  14
PHE A  18
THR A 386
 None
 1.30A 4iaqA-5gnmA:
undetectable		 4iaqA-5gnmA:
21.57
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.
5iwd DNA POLYMERASE
PROCESSIVITY FACTOR

(Human
betaherpesvirus
5) 		PF03325
(Herpes_PAP) 		5 LEU A  68
ALA A 112
PHE A  90
LEU A  27
THR A  94
 None
 1.28A 4iaqA-5iwdA:
undetectable		 4iaqA-5iwdA:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k5t EXTRACELLULAR
CALCIUM-SENSING
RECEPTOR

(Homo sapiens) 		PF01094
(ANF_receptor)
PF07562
(NCD3G) 		5 LEU A 157
VAL A 141
MET A  74
PHE A  38
THR A 100
 None
None
None
None
CA  A 701 (-3.2A)
 1.27A 4iaqA-5k5tA:
undetectable		 4iaqA-5k5tA:
21.72
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.
5map DTPA

(Streptomyces
lividans) 		PF04261
(Dyp_perox) 		5 LEU A 117
ALA A 432
PHE A  82
LEU A 210
THR A 124
 None
 1.13A 4iaqA-5mapA:
undetectable		 4iaqA-5mapA:
24.03
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.
5n2g DNA POLYMERASE

(Vaccinia virus) 		no annotation 5 ASP A 881
TRP A 940
MET A 842
LEU A 889
PHE A 838
 None
 1.36A 4iaqA-5n2gA:
2.0		 4iaqA-5n2gA:
10.61
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.
5n2g DNA POLYMERASE

(Vaccinia virus) 		no annotation 5 TRP A 940
PHE A 972
MET A 842
LEU A 889
PHE A 838
 None
 1.17A 4iaqA-5n2gA:
2.0		 4iaqA-5n2gA:
10.61
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.
5of4 TFIIH BASAL
TRANSCRIPTION FACTOR
COMPLEX HELICASE XPD
SUBUNIT

(Homo sapiens) 		PF06733
(DEAD_2)
PF06777
(HBB)
PF13307
(Helicase_C_2) 		5 ASP B 131
CYH B 134
ALA B 139
PHE B 193
LEU B 107
 None
SF4  B1000 (-2.3A)
None
SF4  B1000 (-4.9A)
None
 1.45A 4iaqA-5of4B:
2.3		 4iaqA-5of4B:
20.42
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.
5t8v PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		PF12765
(Cohesin_HEAT)
PF12830
(Nipped-B_C) 		5 LEU A1031
VAL A1037
ALA A 845
MET A1005
LEU A1057
 None
 1.31A 4iaqA-5t8vA:
2.9		 4iaqA-5t8vA:
14.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v54 5-HYDROXYTRYPTAMINE
RECEPTOR 1B,OB-1
FUSED 5-HT1B
RECEPTOR,5-HYDROXYTR
YPTAMINE RECEPTOR 1B

(Homo sapiens;
Spodoptera
frugiperda) 		no annotation 7 ASP A 129
CYH A 133
ALA A 216
TRP A 327
PHE A 330
PHE A 351
THR A 355
 89F  A1201 (-3.3A)
89F  A1201 (-4.5A)
89F  A1201 ( 3.9A)
89F  A1201 (-3.6A)
89F  A1201 (-4.1A)
None
89F  A1201 (-4.0A)
 0.91A 4iaqA-5v54A:
39.9		 4iaqA-5v54A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v54 5-HYDROXYTRYPTAMINE
RECEPTOR 1B,OB-1
FUSED 5-HT1B
RECEPTOR,5-HYDROXYTR
YPTAMINE RECEPTOR 1B

(Homo sapiens;
Spodoptera
frugiperda) 		no annotation 8 ASP A 129
CYH A 133
TRP A 327
PHE A 330
PHE A 331
MET A 337
PHE A 351
THR A 355
 89F  A1201 (-3.3A)
89F  A1201 (-4.5A)
89F  A1201 (-3.6A)
89F  A1201 (-4.1A)
89F  A1201 (-4.6A)
None
None
89F  A1201 (-4.0A)
 1.24A 4iaqA-5v54A:
39.9		 4iaqA-5v54A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v54 5-HYDROXYTRYPTAMINE
RECEPTOR 1B,OB-1
FUSED 5-HT1B
RECEPTOR,5-HYDROXYTR
YPTAMINE RECEPTOR 1B

(Homo sapiens;
Spodoptera
frugiperda) 		no annotation 7 ASP A 129
CYH A 133
VAL A 201
ALA A 216
TRP A 327
PHE A 330
THR A 355
 89F  A1201 (-3.3A)
89F  A1201 (-4.5A)
None
89F  A1201 ( 3.9A)
89F  A1201 (-3.6A)
89F  A1201 (-4.1A)
89F  A1201 (-4.0A)
 1.02A 4iaqA-5v54A:
39.9		 4iaqA-5v54A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v54 5-HYDROXYTRYPTAMINE
RECEPTOR 1B,OB-1
FUSED 5-HT1B
RECEPTOR,5-HYDROXYTR
YPTAMINE RECEPTOR 1B

(Homo sapiens;
Spodoptera
frugiperda) 		no annotation 8 ASP A 129
CYH A 133
VAL A 201
TRP A 327
PHE A 330
PHE A 331
MET A 337
THR A 355
 89F  A1201 (-3.3A)
89F  A1201 (-4.5A)
None
89F  A1201 (-3.6A)
89F  A1201 (-4.1A)
89F  A1201 (-4.6A)
None
89F  A1201 (-4.0A)
 1.24A 4iaqA-5v54A:
39.9		 4iaqA-5v54A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v54 5-HYDROXYTRYPTAMINE
RECEPTOR 1B,OB-1
FUSED 5-HT1B
RECEPTOR,5-HYDROXYTR
YPTAMINE RECEPTOR 1B

(Homo sapiens;
Spodoptera
frugiperda) 		no annotation 8 LEU A 126
ASP A 129
CYH A 133
ALA A 216
PHE A 330
LEU A 348
PHE A 351
THR A 355
 89F  A1201 (-4.9A)
89F  A1201 (-3.3A)
89F  A1201 (-4.5A)
89F  A1201 ( 3.9A)
89F  A1201 (-4.1A)
None
None
89F  A1201 (-4.0A)
 0.94A 4iaqA-5v54A:
39.9		 4iaqA-5v54A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v54 5-HYDROXYTRYPTAMINE
RECEPTOR 1B,OB-1
FUSED 5-HT1B
RECEPTOR,5-HYDROXYTR
YPTAMINE RECEPTOR 1B

(Homo sapiens;
Spodoptera
frugiperda) 		no annotation 8 LEU A 126
ASP A 129
CYH A 133
PHE A 330
PHE A 331
LEU A 348
PHE A 351
THR A 355
 89F  A1201 (-4.9A)
89F  A1201 (-3.3A)
89F  A1201 (-4.5A)
89F  A1201 (-4.1A)
89F  A1201 (-4.6A)
None
None
89F  A1201 (-4.0A)
 0.88A 4iaqA-5v54A:
39.9		 4iaqA-5v54A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v54 5-HYDROXYTRYPTAMINE
RECEPTOR 1B,OB-1
FUSED 5-HT1B
RECEPTOR,5-HYDROXYTR
YPTAMINE RECEPTOR 1B

(Homo sapiens;
Spodoptera
frugiperda) 		no annotation 8 LEU A 126
ASP A 129
CYH A 133
PHE A 330
PHE A 331
MET A 337
PHE A 351
THR A 355
 89F  A1201 (-4.9A)
89F  A1201 (-3.3A)
89F  A1201 (-4.5A)
89F  A1201 (-4.1A)
89F  A1201 (-4.6A)
None
None
89F  A1201 (-4.0A)
 1.20A 4iaqA-5v54A:
39.9		 4iaqA-5v54A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v54 5-HYDROXYTRYPTAMINE
RECEPTOR 1B,OB-1
FUSED 5-HT1B
RECEPTOR,5-HYDROXYTR
YPTAMINE RECEPTOR 1B

(Homo sapiens;
Spodoptera
frugiperda) 		no annotation 7 LEU A 126
ASP A 129
CYH A 133
VAL A 201
ALA A 216
PHE A 330
THR A 355
 89F  A1201 (-4.9A)
89F  A1201 (-3.3A)
89F  A1201 (-4.5A)
None
89F  A1201 ( 3.9A)
89F  A1201 (-4.1A)
89F  A1201 (-4.0A)
 0.92A 4iaqA-5v54A:
39.9		 4iaqA-5v54A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v54 5-HYDROXYTRYPTAMINE
RECEPTOR 1B,OB-1
FUSED 5-HT1B
RECEPTOR,5-HYDROXYTR
YPTAMINE RECEPTOR 1B

(Homo sapiens;
Spodoptera
frugiperda) 		no annotation 8 LEU A 126
ASP A 129
CYH A 133
VAL A 201
PHE A 330
PHE A 331
MET A 337
THR A 355
 89F  A1201 (-4.9A)
89F  A1201 (-3.3A)
89F  A1201 (-4.5A)
None
89F  A1201 (-4.1A)
89F  A1201 (-4.6A)
None
89F  A1201 (-4.0A)
 1.17A 4iaqA-5v54A:
39.9		 4iaqA-5v54A:
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.
5vfz GP33

(Mycobacterium
virus Brujita) 		no annotation 5 VAL A  23
ALA A  52
TRP A  69
LEU A  93
PHE A  92
 None
GOL  A 401 (-3.6A)
None
NA  A 402 ( 4.8A)
None
 1.39A 4iaqA-5vfzA:
undetectable		 4iaqA-5vfzA:
11.90
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.
5wax -

(-) 		no annotation 5 LEU A 133
VAL A 120
ALA A 176
PHE A 113
THR A 198
 None
 1.44A 4iaqA-5waxA:
2.8		 4iaqA-5waxA:
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.
5wgc DAUNORUBICIN-DOXORUB
ICIN POLYKETIDE
SYNTHASE

(Streptomyces
peucetius) 		no annotation 5 ASP A 302
ALA A  49
PHE A 291
LEU A 316
THR A 288
 None
 1.29A 4iaqA-5wgcA:
undetectable		 4iaqA-5wgcA:
11.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5wiv D(4) DOPAMINE
RECEPTOR, SOLUBLE
CYTOCHROME B562
CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 5 ASP A 115
TRP A 407
PHE A 410
PHE A 411
THR A 434
 AQD  A1201 (-3.3A)
None
AQD  A1201 (-4.7A)
AQD  A1201 (-4.6A)
AQD  A1201 (-3.5A)
 0.61A 4iaqA-5wivA:
32.5		 4iaqA-5wivA:
49.18
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.
5wnn PHOSPHATE-BINDING
PROTEIN PSTS

(Burkholderia
pseudomallei) 		PF12849
(PBP_like_2) 		5 ALA A  40
PHE A 297
PHE A 296
PHE A  92
THR A  94
 None
 1.39A 4iaqA-5wnnA:
undetectable		 4iaqA-5wnnA:
22.52
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.
5xmr SERINE
HYDROXYMETHYLTRANSFE
RASE

(Plasmodium
vivax) 		no annotation 5 LEU A 353
VAL A 370
PHE A 335
LEU A 412
THR A 401
 None
 1.20A 4iaqA-5xmrA:
undetectable		 4iaqA-5xmrA:
21.97
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.
5y58 ATP-DEPENDENT DNA
HELICASE II SUBUNIT
2

(Saccharomyces
cerevisiae) 		no annotation 5 LEU B 342
CYH B 239
MET B 387
LEU B 348
PHE B 347
 None
 1.38A 4iaqA-5y58B:
undetectable		 4iaqA-5y58B:
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.
6b3x CLEAVAGE STIMULATION
FACTOR SUBUNIT 1

(Homo sapiens) 		no annotation 5 ASP A 372
CYH A 379
VAL A 354
ALA A 359
TRP A 381
 None
 1.25A 4iaqA-6b3xA:
undetectable		 4iaqA-6b3xA:
22.57
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.
6bhu MULTIDRUG
RESISTANCE-ASSOCIATE
D PROTEIN 1

(Bos taurus) 		no annotation 5 LEU A 746
ASP A 749
VAL A 776
LEU A 795
THR A1328
 None
None
None
None
ATP  A1602 (-3.9A)
 1.40A 4iaqA-6bhuA:
undetectable		 4iaqA-6bhuA:
0.00
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.
6cm4 D(2) DOPAMINE
RECEPTOR, ENDOLYSIN
CHIMERA

(Escherichia
virus T4;
Homo sapiens) 		no annotation 6 ASP A 114
CYH A 118
TRP A 386
PHE A 389
PHE A 390
THR A 412
 8NU  A2001 ( 3.0A)
8NU  A2001 ( 4.0A)
8NU  A2001 ( 3.8A)
8NU  A2001 ( 4.5A)
8NU  A2001 ( 4.8A)
8NU  A2001 ( 3.8A)
 0.79A 4iaqA-6cm4A:
28.5		 4iaqA-6cm4A:
13.80
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.
6fn0 -

(-) 		no annotation 5 VAL A 316
TRP A 294
PHE A 297
PHE A 298
THR A 153
 None
None
None
FAD  A 501 (-4.8A)
None
 1.40A 4iaqA-6fn0A:
undetectable		 4iaqA-6fn0A:
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.
6fx4 E3 UBIQUITIN-PROTEIN
LIGASE SMURF2

(Homo sapiens) 		no annotation 5 ASP A  91
ALA A 108
PHE A  44
LEU A  67
PHE A  68
 None
 1.25A 4iaqA-6fx4A:
undetectable		 4iaqA-6fx4A:
15.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6g79 5-HYDROXYTRYPTAMINE
RECEPTOR 1B

(Homo sapiens) 		no annotation 5 ALA S 216
TRP S 327
PHE S 330
PHE S 331
PHE S 351
 EP5  S 401 ( 4.0A)
None
EP5  S 401 (-4.0A)
EP5  S 401 (-4.7A)
EP5  S 401 (-4.5A)
 1.07A 4iaqA-6g79S:
34.2		 4iaqA-6g79S:
95.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6g79 5-HYDROXYTRYPTAMINE
RECEPTOR 1B

(Homo sapiens) 		no annotation 9 LEU S 126
ASP S 129
CYH S 133
VAL S 201
ALA S 216
TRP S 327
PHE S 330
PHE S 331
THR S 355
 None
EP5  S 401 (-3.3A)
EP5  S 401 (-4.2A)
EP5  S 401 (-4.1A)
EP5  S 401 ( 4.0A)
None
EP5  S 401 (-4.0A)
EP5  S 401 (-4.7A)
None
 0.63A 4iaqA-6g79S:
34.2		 4iaqA-6g79S:
95.18
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.
1dju AROMATIC
AMINOTRANSFERASE

(Pyrococcus
horikoshii) 		PF00155
(Aminotran_1_2) 		4 ILE A 215
THR A 225
VAL A 176
SER A 217
 None
 1.12A 4iaqA-1djuA:
undetectable		 4iaqA-1djuA:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ece ENDOCELLULASE E1

(Acidothermus
cellulolyticus) 		PF00150
(Cellulase) 		4 ILE A 111
THR A  60
VAL A  96
ASP A  45
 None
 1.04A 4iaqA-1eceA:
undetectable		 4iaqA-1eceA:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fnf FIBRONECTIN

(Homo sapiens) 		PF00041
(fn3) 		4 ILE A1172
THR A1169
VAL A1194
SER A1225
 None
 1.05A 4iaqA-1fnfA:
undetectable		 4iaqA-1fnfA:
21.06
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.
1hlg LIPASE, GASTRIC

(Homo sapiens) 		PF00561
(Abhydrolase_1) 		4 TRP A 275
ILE A 161
SER A 164
ASP A 331
 None
 1.10A 4iaqA-1hlgA:
undetectable		 4iaqA-1hlgA:
20.89
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.
1miq PLASMEPSIN

(Plasmodium
vivax) 		PF00026
(Asp) 		4 TRP A 193
ILE A 195
VAL A 312
ASP A 316
 None
 0.99A 4iaqA-1miqA:
undetectable		 4iaqA-1miqA:
21.36
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.
1miq PLASMEPSIN

(Plasmodium
vivax) 		PF00026
(Asp) 		4 TRP A 193
ILE A 195
VAL A 312
SER A 261
 None
 0.99A 4iaqA-1miqA:
undetectable		 4iaqA-1miqA:
21.36
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.
1n1c TORA SPECIFIC
CHAPERONE

(Shewanella
massilia) 		PF02613
(Nitrate_red_del) 		4 ILE A 171
THR A 175
VAL A 163
ASP A 134
 None
 1.02A 4iaqA-1n1cA:
2.8		 4iaqA-1n1cA:
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.
1nbu PROBABLE
DIHYDRONEOPTERIN
ALDOLASE

(Mycobacterium
tuberculosis) 		PF02152
(FolB) 		4 ILE B   5
THR B  51
VAL B  95
ASP B  82
 None
 1.08A 4iaqA-1nbuB:
undetectable		 4iaqA-1nbuB:
14.46
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.
1o0x METHIONINE
AMINOPEPTIDASE

(Thermotoga
maritima) 		PF00557
(Peptidase_M24) 		4 ILE A 168
VAL A 218
SER A 211
ASP A 222
 None
 1.16A 4iaqA-1o0xA:
0.5		 4iaqA-1o0xA:
19.85
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.
1osn THYMIDINE KINASE

(Human
alphaherpesvirus
3) 		PF00693
(Herpes_TK) 		4 TRP A  53
ILE A  65
THR A  86
ASP A  18
 BVP  A 500 (-4.6A)
BVP  A 500 ( 4.2A)
None
None
 1.11A 4iaqA-1osnA:
1.0		 4iaqA-1osnA:
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.
1q5r PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		4 ILE H   3
THR H   1
VAL H 121
ASP H 124
 None
 0.86A 4iaqA-1q5rH:
0.5		 4iaqA-1q5rH:
22.46
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.
1qs8 PLASMEPSIN

(Plasmodium
vivax) 		PF00026
(Asp) 		4 TRP A 193
ILE A 195
VAL A 312
SER A 261
 None
 1.02A 4iaqA-1qs8A:
undetectable		 4iaqA-1qs8A:
21.65
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.
1rzm PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE

(Thermotoga
maritima) 		PF00793
(DAHP_synth_1) 		4 ILE A  83
THR A  81
VAL A 162
ASP A 269
 None
 1.12A 4iaqA-1rzmA:
0.0		 4iaqA-1rzmA:
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.
1vko INOSITOL-3-PHOSPHATE
SYNTHASE

(Caenorhabditis
elegans) 		PF01658
(Inos-1-P_synth)
PF07994
(NAD_binding_5) 		4 ILE A 466
THR A 492
VAL A 308
ASP A 311
 None
 1.17A 4iaqA-1vkoA:
0.3		 4iaqA-1vkoA:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vtk THYMIDINE KINASE

(Human
alphaherpesvirus
1) 		PF00693
(Herpes_TK) 		4 ILE A 143
THR A 350
VAL A 138
ASP A 363
 None
 1.13A 4iaqA-1vtkA:
2.6		 4iaqA-1vtkA:
23.19
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.
2aml SIS DOMAIN PROTEIN

(Listeria
monocytogenes) 		PF01380
(SIS) 		4 ILE A 218
THR A 216
VAL A 278
ASP A 301
 None
 1.17A 4iaqA-2amlA:
undetectable		 4iaqA-2amlA:
22.92
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.
2bju PLASMEPSIN II

(Plasmodium
falciparum) 		PF00026
(Asp) 		4 TRP A 193
ILE A 195
VAL A 312
ASP A 316
 None
 0.97A 4iaqA-2bjuA:
undetectable		 4iaqA-2bjuA:
21.96
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.
2bju PLASMEPSIN II

(Plasmodium
falciparum) 		PF00026
(Asp) 		4 TRP A 193
ILE A 195
VAL A 312
SER A 261
 None
 1.01A 4iaqA-2bjuA:
undetectable		 4iaqA-2bjuA:
21.96
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.
2c1z UDP-GLUCOSE
FLAVONOID 3-O
GLYCOSYLTRANSFERASE

(Vitis vinifera) 		PF00201
(UDPGT) 		4 THR A 230
VAL A 382
SER A 221
ASP A 186
 None
 0.96A 4iaqA-2c1zA:
undetectable		 4iaqA-2c1zA:
22.59
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.
2dvu THERMOPHILIC
REVERSIBLE
GAMMA-RESORCYLATE
DECARBOXYLASE

(Rhizobium sp.
MTP-10005) 		PF04909
(Amidohydro_2) 		4 ILE A 293
THR A 286
SER A 297
ASP A  93
 None
 1.01A 4iaqA-2dvuA:
undetectable		 4iaqA-2dvuA:
21.24
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.
2gaf POLY(A) POLYMERASE
CATALYTIC SUBUNIT

(Vaccinia virus) 		PF03296
(Pox_polyA_pol)
PF12629
(Pox_polyA_pol_C)
PF12630
(Pox_polyA_pol_N) 		4 ILE D 229
THR D 225
VAL D 242
ASP D 202
 None
 1.16A 4iaqA-2gafD:
2.5		 4iaqA-2gafD:
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.
2gou OXIDOREDUCTASE,
FMN-BINDING

(Shewanella
oneidensis) 		PF00724
(Oxidored_FMN) 		4 ILE A 249
THR A 253
SER A 283
ASP A 276
 None
 1.13A 4iaqA-2gouA:
undetectable		 4iaqA-2gouA:
24.11
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.
2hg4 6-DEOXYERYTHRONOLIDE
B SYNTHASE

(Saccharopolyspora
erythraea) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08990
(Docking)
PF16197
(KAsynt_C_assoc) 		4 THR A 775
VAL A 827
SER A 705
ASP A 834
 None
 1.16A 4iaqA-2hg4A:
undetectable		 4iaqA-2hg4A:
18.05
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.
2nqa CALPAIN 8

(Homo sapiens) 		PF00648
(Peptidase_C2) 		4 TRP A 106
ILE A 111
THR A 115
ASP A 206
 None
 1.10A 4iaqA-2nqaA:
undetectable		 4iaqA-2nqaA:
22.28
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.
2okx RHAMNOSIDASE B

(Bacillus sp.
GL1) 		PF05592
(Bac_rhamnosid)
PF08531
(Bac_rhamnosid_N)
PF17389
(Bac_rhamnosid6H)
PF17390
(Bac_rhamnosid_C) 		4 TRP A 684
ILE A 687
THR A 766
ASP A 616
 None
 1.13A 4iaqA-2okxA:
2.6		 4iaqA-2okxA:
19.03
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.
2q5o PHENYLPYRUVATE
DECARBOXYLASE

(Azospirillum
brasilense) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 THR A 236
VAL A 533
SER A 281
ASP A 382
 None
 1.12A 4iaqA-2q5oA:
undetectable		 4iaqA-2q5oA:
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.
2qgy ENOLASE FROM THE
ENVIRONMENTAL GENOME
SHOTGUN SEQUENCING
OF THE SARGASSO SEA

(-) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ILE A  36
THR A  19
VAL A 361
SER A 304
 None
 1.11A 4iaqA-2qgyA:
undetectable		 4iaqA-2qgyA:
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.
2v1l HYPOTHETICAL PROTEIN

(Vibrio cholerae) 		PF10980
(DUF2787) 		4 TRP A  72
ILE A  74
THR A   9
VAL A  42
 None
 1.08A 4iaqA-2v1lA:
undetectable		 4iaqA-2v1lA:
16.38
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.
2vsu P-HYDROXYCINNAMOYL
COA HYDRATASE/LYASE

(Pseudomonas
fluorescens) 		PF00378
(ECH_1) 		4 TRP C   8
ILE C  23
THR C  60
ASP C  51
 None
 1.15A 4iaqA-2vsuC:
undetectable		 4iaqA-2vsuC:
19.90
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.
2xzo REGULATOR OF
NONSENSE TRANSCRIPTS
1

(Homo sapiens) 		PF04851
(ResIII)
PF13086
(AAA_11)
PF13087
(AAA_12) 		4 ILE A 329
THR A 325
VAL A 405
ASP A 369
 None
 1.17A 4iaqA-2xzoA:
2.4		 4iaqA-2xzoA:
21.35
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.
2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM

(Homo sapiens) 		PF00069
(Pkinase) 		4 ILE A  94
THR A  92
VAL A  42
ASP A  28
 None
 1.17A 4iaqA-2y7jA:
2.7		 4iaqA-2y7jA:
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.
3ag7 PUTATIVE
UNCHARACTERIZED
PROTEIN F9E10.5

(Arabidopsis
thaliana) 		no annotation 4 TRP A 583
ILE A 581
THR A 577
SER A 564
 None
 0.91A 4iaqA-3ag7A:
undetectable		 4iaqA-3ag7A:
14.74
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.
3ayx MEMBRANE-BOUND
HYDROGENASE SMALL
SUBUNIT

(Hydrogenovibrio
marinus) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		4 ILE B  78
THR B  13
VAL B  81
ASP B  52
 None
 1.15A 4iaqA-3ayxB:
undetectable		 4iaqA-3ayxB:
22.30
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.
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides) 		PF01041
(DegT_DnrJ_EryC1) 		4 ILE A 137
THR A 280
VAL A 162
ASP A 248
 None
 1.10A 4iaqA-3bn1A:
undetectable		 4iaqA-3bn1A:
22.92
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.
3cir FUMARATE REDUCTASE
IRON-SULFUR SUBUNIT

(Escherichia
coli) 		PF13085
(Fer2_3)
PF13183
(Fer4_8) 		4 TRP B 202
ILE B 224
THR B 174
SER B 211
 None
F3S  B 245 ( 4.5A)
None
None
 1.10A 4iaqA-3cirB:
undetectable		 4iaqA-3cirB:
20.30
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.
3cyj MANDELATE
RACEMASE/MUCONATE
LACTONIZING
ENZYME-LIKE PROTEIN

(Rubrobacter
xylanophilus) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ILE A  35
THR A  33
VAL A 100
SER A  55
 None
 0.95A 4iaqA-3cyjA:
undetectable		 4iaqA-3cyjA:
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.
3d5t MALATE DEHYDROGENASE

(Burkholderia
pseudomallei) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 ILE A 267
THR A 154
VAL A 295
ASP A 195
 None
 1.14A 4iaqA-3d5tA:
undetectable		 4iaqA-3d5tA:
24.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3da0 CLEAVED CHIMERIC
RECEPTOR BINDING
PROTEIN FROM
BACTERIOPHAGES
TP901-1 AND P2

(Lactococcus
phage TP901-1;
Lactococcus
virus P2) 		PF08931
(Caudo_bapla_RBP) 		4 ILE A  88
THR A  80
VAL A 122
ASP A 135
 None
 1.17A 4iaqA-3da0A:
undetectable		 4iaqA-3da0A:
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.
3e4f AMINOGLYCOSIDE
N3-ACETYLTRANSFERASE

(Bacillus
anthracis) 		PF02522
(Antibiotic_NAT) 		4 TRP A 260
ILE A 253
VAL A 223
ASP A 218
 None
 1.10A 4iaqA-3e4fA:
undetectable		 4iaqA-3e4fA:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f6t ASPARTATE
AMINOTRANSFERASE

(Lactobacillus
acidophilus) 		PF00155
(Aminotran_1_2) 		4 ILE A 388
THR A 142
VAL A  54
ASP A  98
 None
 1.02A 4iaqA-3f6tA:
undetectable		 4iaqA-3f6tA:
20.94
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.
3g4g CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo sapiens) 		PF00233
(PDEase_I) 		4 ILE A 502
THR A 499
VAL A 373
ASP A 322
 D71  A 901 (-4.1A)
D71  A 901 (-3.6A)
None
None
 1.06A 4iaqA-3g4gA:
undetectable		 4iaqA-3g4gA:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kom TRANSKETOLASE

(Francisella
tularensis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 ILE A 446
VAL A 459
SER A 449
ASP A 381
 None
 1.10A 4iaqA-3komA:
undetectable		 4iaqA-3komA:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l8a PUTATIVE
AMINOTRANSFERASE,
PROBABLE
BETA-CYSTATHIONASE

(Streptococcus
mutans) 		PF00155
(Aminotran_1_2) 		4 ILE A 381
VAL A 348
SER A 383
ASP A  38
 None
 1.14A 4iaqA-3l8aA:
undetectable		 4iaqA-3l8aA:
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.
3luf TWO-COMPONENT SYSTEM
RESPONSE
REGULATOR/GGDEF
DOMAIN PROTEIN

(Aeromonas
salmonicida) 		PF00072
(Response_reg) 		4 ILE A  77
THR A  79
VAL A  67
ASP A  58
 None
 1.09A 4iaqA-3lufA:
undetectable		 4iaqA-3lufA:
19.95
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.
3mzv DECAPRENYL
DIPHOSPHATE SYNTHASE

(Rhodobacter
capsulatus) 		PF00348
(polyprenyl_synt) 		4 ILE A  85
THR A  81
VAL A 150
ASP A 210
 None
 1.14A 4iaqA-3mzvA:
2.6		 4iaqA-3mzvA:
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.
3o57 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		PF00233
(PDEase_I) 		4 ILE A 410
THR A 407
VAL A 281
ASP A 230
 ZG2  A 506 (-4.4A)
ZG2  A 506 (-4.3A)
None
None
 1.09A 4iaqA-3o57A:
undetectable		 4iaqA-3o57A:
22.90
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.
3ppc 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE

(Candida
albicans) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		4 ILE A 654
VAL A 643
SER A 656
ASP A 598
 None
 1.07A 4iaqA-3ppcA:
undetectable		 4iaqA-3ppcA:
20.30
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.
3r5t FERRIC VIBRIOBACTIN
ABC TRANSPORTER,
PERIPLASMIC FERRIC
VIBRIOBACTIN-BINDING
PROTEIN

(Vibrio cholerae) 		PF01497
(Peripla_BP_2) 		4 ILE A 132
VAL A 119
SER A  43
ASP A 116
 None
 1.14A 4iaqA-3r5tA:
undetectable		 4iaqA-3r5tA:
21.38
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.
3rn2 INTERFERON-INDUCIBLE
PROTEIN AIM2

(Homo sapiens) 		PF02760
(HIN) 		4 ILE A 334
THR A 301
VAL A 264
ASP A 286
 None
 1.13A 4iaqA-3rn2A:
undetectable		 4iaqA-3rn2A:
19.95
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.
3s5n 4-HYDROXY-2-OXOGLUTA
RATE ALDOLASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00701
(DHDPS) 		4 ILE A 151
THR A 155
VAL A 180
ASP A 197
 None
 0.89A 4iaqA-3s5nA:
undetectable		 4iaqA-3s5nA:
21.24
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.
3sqz PUTATIVE
HYDROXYMETHYLGLUTARY
L-COA SYNTHASE

(Streptococcus
mutans) 		PF00195
(Chal_sti_synt_N)
PF08540
(HMG_CoA_synt_C) 		4 ILE A  62
VAL A 162
SER A  58
ASP A  72
 None
 0.91A 4iaqA-3sqzA:
undetectable		 4iaqA-3sqzA:
21.67
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.
3t1w FOUR-DOMAIN
FIBRONECTIN FRAGMENT

(Homo sapiens) 		PF00041
(fn3) 		4 ILE A1203
THR A1200
VAL A1225
SER A1256
 None
 1.12A 4iaqA-3t1wA:
undetectable		 4iaqA-3t1wA:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tkt CYTOCHROME P450

(Novosphingobium
aromaticivorans) 		PF00067
(p450) 		4 ILE A  16
THR A 415
VAL A  44
ASP A 338
 None
 0.97A 4iaqA-3tktA:
undetectable		 4iaqA-3tktA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vmn DEXTRANASE

(Streptococcus
mutans) 		PF13199
(Glyco_hydro_66) 		4 ILE A 450
THR A 484
VAL A 434
SER A 445
 None
 1.14A 4iaqA-3vmnA:
undetectable		 4iaqA-3vmnA:
21.38
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.
3wnb PROTEIN TRANSLATION
ELONGATION FACTOR 1A

(Methanosarcina
mazei) 		no annotation 4 ILE A 253
THR A 205
VAL A 189
SER A 199
 None
 1.10A 4iaqA-3wnbA:
undetectable		 4iaqA-3wnbA:
25.59
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.
3zef PRE-MRNA-SPLICING
FACTOR 8

(Saccharomyces
cerevisiae) 		PF08084
(PROCT)
PF10596
(U6-snRNA_bdg)
PF10597
(U5_2-snRNA_bdg)
PF10598
(RRM_4)
PF12134
(PRP8_domainIV) 		4 TRP B1335
ILE B1440
VAL B1361
ASP B1313
 None
 1.17A 4iaqA-3zefB:
undetectable		 4iaqA-3zefB:
13.76
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.
4c1r MANNOSYL-6-PHOSPHATA
SE

(Bacteroides
thetaiotaomicron) 		PF03372
(Exo_endo_phos) 		4 ILE A 194
THR A 196
VAL A 308
ASP A 225
 None
 0.74A 4iaqA-4c1rA:
undetectable		 4iaqA-4c1rA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dzh AMIDOHYDROLASE

(Xanthomonas
campestris) 		PF01979
(Amidohydro_1) 		4 ILE A 312
THR A 351
VAL A 135
ASP A 379
 None
 0.97A 4iaqA-4dzhA:
undetectable		 4iaqA-4dzhA:
21.64
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.
4ehc PE-PGRS FAMILY
PROTEIN

(Mycobacterium
tuberculosis) 		no annotation 4 ILE A 130
THR A 132
VAL A 115
ASP A 189
 None
None
None
ZN  A 301 (-2.0A)
 1.11A 4iaqA-4ehcA:
undetectable		 4iaqA-4ehcA:
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.
4fix UDP-GALACTOFURANOSYL
TRANSFERASE GLFT2

(Mycobacterium
tuberculosis) 		PF13641
(Glyco_tranf_2_3) 		4 ILE A 259
THR A 349
VAL A 176
ASP A 199
 None
 1.15A 4iaqA-4fixA:
2.1		 4iaqA-4fixA:
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.
4gni PUTATIVE HEAT SHOCK
PROTEIN

(Chaetomium
thermophilum) 		PF00012
(HSP70) 		4 ILE A 231
THR A 220
SER A 185
ASP A 204
 None
 1.08A 4iaqA-4gniA:
undetectable		 4iaqA-4gniA:
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.
4gq1 NUP37

(Schizosaccharomyces
pombe) 		PF00400
(WD40) 		4 ILE A 158
VAL A 146
SER A  75
ASP A 214
 None
 1.16A 4iaqA-4gq1A:
undetectable		 4iaqA-4gq1A:
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.
4lmb CYSTEINE SYNTHASE

(Microcystis
aeruginosa) 		PF00291
(PALP) 		4 ILE A 156
THR A 161
VAL A  54
ASP A   6
 None
 1.05A 4iaqA-4lmbA:
undetectable		 4iaqA-4lmbA:
22.52
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.
4neg TRYPTOPHAN SYNTHASE
BETA CHAIN

(Bacillus
anthracis) 		PF00291
(PALP) 		4 ILE A 212
THR A  60
VAL A 205
SER A 380
 None
 1.06A 4iaqA-4negA:
undetectable		 4iaqA-4negA:
23.96
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.
4okd ISOAMYLASE

(Chlamydomonas
reinhardtii) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		4 TRP A 440
THR A 383
VAL A 200
SER A 394
 None
 1.11A 4iaqA-4okdA:
undetectable		 4iaqA-4okdA:
18.20
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.
4pd4 CYTOCHROME B

(Saccharomyces
cerevisiae) 		PF00032
(Cytochrom_B_C)
PF00033
(Cytochrome_B) 		4 THR C 148
VAL C 264
SER C 170
ASP C 255
 None
 1.11A 4iaqA-4pd4C:
4.5		 4iaqA-4pd4C:
23.95
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.
4qiw DNA-DIRECTED RNA
POLYMERASE

(Thermococcus
kodakarensis) 		PF00562
(RNA_pol_Rpb2_6)
PF00623
(RNA_pol_Rpb1_2)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		4 ILE A 661
THR A 657
VAL B 728
SER A 509
 None
 1.17A 4iaqA-4qiwA:
3.8		 4iaqA-4qiwA:
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.
4qme AMINOPEPTIDASE N

(Neisseria
meningitidis) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		4 ILE A  18
THR A  21
VAL A  50
SER A 180
 None
 1.10A 4iaqA-4qmeA:
2.7		 4iaqA-4qmeA:
20.23
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.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Pisum sativum) 		PF00223
(PsaA_PsaB) 		4 ILE A 743
THR A 746
VAL A 735
SER A 610
 CLA  A1126 (-3.9A)
CL0  A9011 (-3.4A)
None
CL0  A9011 ( 4.3A)
 1.14A 4iaqA-4rkuA:
2.8		 4iaqA-4rkuA:
19.26
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.
4s2t PROTEIN APP-1

(Caenorhabditis
elegans) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N)
PF16188
(Peptidase_M24_C)
PF16189
(Creatinase_N_2) 		4 TRP P 108
THR P 134
VAL P  66
SER P 126
 None
 1.03A 4iaqA-4s2tP:
undetectable		 4iaqA-4s2tP:
23.85
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.
4u8u LINKER L2

(Glossoscolex
paulistus) 		PF00057
(Ldl_recept_a)
PF16915
(Eryth_link_C) 		4 ILE N 158
VAL N 217
SER N 160
ASP N 203
 None
 1.13A 4iaqA-4u8uN:
undetectable		 4iaqA-4u8uN:
17.37
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.
4wat PFRH5

(Plasmodium
falciparum) 		no annotation 4 ILE A 157
VAL A 174
SER A 153
ASP A 218
 None
 1.08A 4iaqA-4watA:
5.3		 4iaqA-4watA:
19.60
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.
4wlh KYNURENINE--OXOGLUTA
RATE TRANSAMINASE 1

(Homo sapiens) 		PF00155
(Aminotran_1_2) 		4 ILE A 229
THR A 239
VAL A 190
SER A 231
 None
 1.04A 4iaqA-4wlhA:
undetectable		 4iaqA-4wlhA:
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.
4wp0 KYNURENINE--OXOGLUTA
RATE TRANSAMINASE 1

(Homo sapiens) 		PF00155
(Aminotran_1_2) 		4 ILE A 229
THR A 239
VAL A 190
SER A 231
 None
 0.90A 4iaqA-4wp0A:
undetectable		 4iaqA-4wp0A:
21.21
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.
4x9x DEGV
DOMAIN-CONTAINING
PROTEIN MW1315

(Staphylococcus
aureus) 		PF02645
(DegV) 		4 ILE A 263
THR A 260
VAL A 158
SER A 119
 OLA  A 301 ( 3.7A)
None
None
OLA  A 301 ( 3.3A)
 1.12A 4iaqA-4x9xA:
undetectable		 4iaqA-4x9xA:
22.52
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.
4yeb FIBRONECTIN LEUCINE
RICH TRANSMEMBRANE
PROTEIN 3

(Mus musculus) 		PF13855
(LRR_8) 		4 ILE B 190
VAL B 205
SER B 194
ASP B 184
 None
 1.09A 4iaqA-4yebB:
undetectable		 4iaqA-4yebB:
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.
4ypg INTERFERON ALPHA-2

(Homo sapiens) 		PF00143
(Interferon) 		4 TRP C  76
THR C  14
VAL C 142
SER C 152
 None
 1.09A 4iaqA-4ypgC:
undetectable		 4iaqA-4ypgC:
16.37
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.
5bwy PLASMEPSIN-2

(Plasmodium
falciparum) 		PF00026
(Asp) 		4 TRP A 193
ILE A 195
VAL A 312
ASP A 316
 None
 0.91A 4iaqA-5bwyA:
undetectable		 4iaqA-5bwyA:
21.35
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.
5bwy PLASMEPSIN-2

(Plasmodium
falciparum) 		PF00026
(Asp) 		4 TRP A 193
ILE A 195
VAL A 312
SER A 261
 None
 0.96A 4iaqA-5bwyA:
undetectable		 4iaqA-5bwyA:
21.35
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.
5ey2 GTP-SENSING
TRANSCRIPTIONAL
PLEIOTROPIC
REPRESSOR CODY

(Bacillus cereus) 		PF06018
(CodY)
PF08222
(HTH_CodY) 		4 ILE A 113
THR A 125
VAL A  91
SER A  78
 None
 0.99A 4iaqA-5ey2A:
undetectable		 4iaqA-5ey2A:
20.38
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.
5f7v LMO0181 PROTEIN

(Listeria
monocytogenes) 		PF01547
(SBP_bac_1) 		4 ILE A 211
THR A 219
VAL A 203
SER A 407
 None
 1.03A 4iaqA-5f7vA:
undetectable		 4iaqA-5f7vA:
23.01
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.
5fft PULMONARY
SURFACTANT-ASSOCIATE
D PROTEIN A

(Rattus
norvegicus) 		PF00059
(Lectin_C) 		4 ILE A 131
THR A 130
VAL A 144
ASP A 182
 None
 1.12A 4iaqA-5fftA:
undetectable		 4iaqA-5fftA:
16.50
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.
5gsl 778AA LONG
HYPOTHETICAL
BETA-GALACTOSIDASE

(Pyrococcus
horikoshii) 		PF02449
(Glyco_hydro_42) 		4 ILE A  95
THR A 177
VAL A  21
ASP A   9
 None
 0.90A 4iaqA-5gslA:
undetectable		 4iaqA-5gslA:
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.
5i70 PLASMEPSIN IV

(Plasmodium
falciparum) 		no annotation 4 TRP B 193
ILE B 195
VAL B 312
SER B 261
 None
 1.07A 4iaqA-5i70B:
undetectable		 4iaqA-5i70B:
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.
5igq E3 UBIQUITIN-PROTEIN
LIGASE RFWD2

(Homo sapiens) 		PF00400
(WD40) 		4 ILE A 473
VAL A 495
SER A 426
ASP A 535
 None
 1.06A 4iaqA-5igqA:
undetectable		 4iaqA-5igqA:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jod PROPLASMEPSIN IV

(Plasmodium
falciparum) 		PF00026
(Asp) 		4 TRP A 193
ILE A 195
VAL A 312
SER A 261
 None
 0.95A 4iaqA-5jodA:
undetectable		 4iaqA-5jodA:
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.
5kci UNCHARACTERIZED
PROTEIN YPL067C

(Saccharomyces
cerevisiae) 		PF12239
(DUF3605) 		4 ILE A 190
THR A 186
VAL A 106
ASP A  93
 None
 1.13A 4iaqA-5kciA:
undetectable		 4iaqA-5kciA:
18.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l56 PLEXIN-A1

(Mus musculus) 		PF01403
(Sema)
PF01437
(PSI)
PF01833
(TIG) 		4 ILE A 484
THR A 433
SER A 452
ASP A 527
 None
 1.14A 4iaqA-5l56A:
undetectable		 4iaqA-5l56A:
15.96
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.
5l94 CYTOCHROME P450

(Bacillus
megaterium) 		PF00067
(p450) 		4 ILE A 251
THR A 254
VAL A 144
ASP A 166
 None
 1.16A 4iaqA-5l94A:
undetectable		 4iaqA-5l94A:
20.91
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.
5ohj CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		no annotation 4 ILE A 582
THR A 579
VAL A 453
ASP A 402
 9VE  A 801 (-4.1A)
9VE  A 801 (-4.1A)
None
None
 1.05A 4iaqA-5ohjA:
undetectable		 4iaqA-5ohjA:
11.66
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.
5v12 HERCYNYLCYSTEINE
SULFOXIDE LYASE

(Neurospora
crassa) 		no annotation 4 ILE C 268
THR C 112
VAL C 262
ASP C 237
 None
 1.08A 4iaqA-5v12C:
undetectable		 4iaqA-5v12C:
12.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v54 5-HYDROXYTRYPTAMINE
RECEPTOR 1B,OB-1
FUSED 5-HT1B
RECEPTOR,5-HYDROXYTR
YPTAMINE RECEPTOR 1B

(Homo sapiens;
Spodoptera
frugiperda) 		no annotation 6 TRP A 125
ILE A 130
THR A 134
VAL A 200
SER A 212
ASP A 352
 None
89F  A1201 (-4.3A)
89F  A1201 (-4.2A)
None
89F  A1201 ( 3.8A)
None
 0.85A 4iaqA-5v54A:
39.9		 4iaqA-5v54A:
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.
5wbl REGULATORY-ASSOCIATE
D PROTEIN OF TOR 1

(Arabidopsis
thaliana) 		no annotation 4 ILE A 694
VAL A 714
SER A 696
ASP A 626
 None
 1.06A 4iaqA-5wblA:
2.9		 4iaqA-5wblA:
12.18
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.
5xbf HARMONIN
UNCONVENTIONAL
MYOSIN-VIIB

(Homo sapiens) 		PF00373
(FERM_M)
PF00595
(PDZ)
PF00784
(MyTH4) 		4 ILE A2038
THR A2006
VAL A2025
ASP B 547
 None
 1.03A 4iaqA-5xbfA:
undetectable		 4iaqA-5xbfA:
22.49
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.
5xyi UNCHARACTERIZED
PROTEIN

(Trichomonas
vaginalis) 		PF00366
(Ribosomal_S17)
PF16205
(Ribosomal_S17_N) 		4 ILE L 105
THR L 103
VAL L 137
ASP L 119
 None
U  2 238 ( 2.8A)
None
None
 1.13A 4iaqA-5xyiL:
undetectable		 4iaqA-5xyiL:
16.54
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.
5yid PLASMEPSIN II

(Plasmodium
falciparum) 		no annotation 4 TRP A 195
ILE A 197
VAL A 314
SER A 263
 None
 0.93A 4iaqA-5yidA:
undetectable		 4iaqA-5yidA:
10.42
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.
5ywp JEV E PROTEIN

(Japanese
encephalitis
virus) 		no annotation 4 ILE A  33
THR A  40
VAL A  24
ASP A  28
 None
 1.12A 4iaqA-5ywpA:
undetectable		 4iaqA-5ywpA:
13.42
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.
6bqh 5-HYDROXYTRYPTAMINE
RECEPTOR 2C,SOLUBLE
CYTOCHROME B562

(Escherichia
coli;
Homo sapiens) 		no annotation 4 TRP A 130
THR A 139
VAL A 208
SER A 219
 None
E2J  A1201 (-4.3A)
None
E2J  A1201 (-3.2A)
 0.90A 4iaqA-6bqhA:
32.0		 4iaqA-6bqhA:
11.95
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.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Cyanidioschyzon
merolae) 		no annotation 4 ILE A 733
THR A 736
VAL A 725
SER A 600
 CLA  A1126 ( 3.8A)
CLA  A1011 (-3.1A)
None
CLA  A1011 ( 4.3A)
 1.09A 4iaqA-6fosA:
2.9		 4iaqA-6fosA:
11.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6g79 5-HYDROXYTRYPTAMINE
RECEPTOR 1B

(Homo sapiens) 		no annotation 4 TRP S 125
ILE S 130
THR S 134
SER S 212
 None
EP5  S 401 (-4.2A)
EP5  S 401 (-3.8A)
EP5  S 401 (-3.3A)
 0.72A 4iaqA-6g79S:
34.2		 4iaqA-6g79S:
95.18