SIMILAR PATTERNS OF AMINO ACIDS FOR 5TUD_D_ERMD1201_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.
1e32 P97

(Mus musculus) 		PF00004
(AAA)
PF02359
(CDC48_N)
PF02933
(CDC48_2) 		6 MET A 388
ALA A 422
PHE A 452
GLN A 382
LEU A 396
VAL A 399
 None
 1.46A 5tudD-1e32A:
undetectable		 5tudD-1e32A:
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.
1faw HEMOGLOBIN (ALPHA
SUBUNIT)

(Anser anser) 		PF00042
(Globin) 		5 VAL A  62
PHE A 128
VAL A 109
LEU A 129
VAL A 132
 HEM  A 150 (-4.2A)
None
None
None
HEM  A 150 (-4.9A)
 1.21A 5tudD-1fawA:
2.6		 5tudD-1fawA:
15.01
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.
1h1y D-RIBULOSE-5-PHOSPHA
TE 3-EPIMERASE

(Oryza sativa) 		PF00834
(Ribul_P_3_epim) 		5 VAL A 220
MET A 160
PHE A 155
VAL A 143
LEU A 181
 None
 1.19A 5tudD-1h1yA:
undetectable		 5tudD-1h1yA:
19.32
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.
1jke D-TYR-TRNATYR
DEACYLASE

(Escherichia
coli) 		PF02580
(Tyr_Deacylase) 		5 ALA A  11
VAL A 110
GLN A 116
LEU A  50
VAL A  66
 None
 1.20A 5tudD-1jkeA:
undetectable		 5tudD-1jkeA:
14.90
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.
1kya LACCASE

(Trametes
versicolor) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 ALA A 390
PHE A 463
VAL A 426
LEU A 451
VAL A 465
 None
CU  A 500 (-4.8A)
None
None
None
 1.09A 5tudD-1kyaA:
undetectable		 5tudD-1kyaA:
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.
1mpx ALPHA-AMINO ACID
ESTER HYDROLASE

(Xanthomonas
citri) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C) 		5 SER A 541
PHE A 578
GLN A 422
LEU A 427
VAL A 586
 None
 1.24A 5tudD-1mpxA:
undetectable		 5tudD-1mpxA:
21.34
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.
1nbw GLYCEROL DEHYDRATASE
REACTIVASE ALPHA
SUBUNIT

(Klebsiella
pneumoniae) 		PF08841
(DDR) 		5 ASP A   8
VAL A 389
ALA A 424
GLN A 373
LEU A 370
 None
 1.28A 5tudD-1nbwA:
undetectable		 5tudD-1nbwA:
23.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ovm INDOLE-3-PYRUVATE
DECARBOXYLASE

(Enterobacter
cloacae) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ASP A  60
VAL A 403
ALA A 423
VAL A 399
LEU A 221
 None
 1.27A 5tudD-1ovmA:
undetectable		 5tudD-1ovmA:
21.86
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.
1pjm IMPORTIN ALPHA-2
SUBUNIT

(Mus musculus) 		PF00514
(Arm)
PF16186
(Arm_3) 		5 VAL B 339
MET B 359
ALA B 397
VAL B 321
LEU B 314
 None
 1.28A 5tudD-1pjmB:
1.0		 5tudD-1pjmB:
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.
1qrp PEPSIN 3A

(Homo sapiens) 		PF00026
(Asp) 		5 SER E 129
VAL E  29
VAL E 153
GLN E   4
VAL E 136
 None
 1.20A 5tudD-1qrpE:
undetectable		 5tudD-1qrpE:
19.78
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.
1qyd PINORESINOL-LARICIRE
SINOL REDUCTASE

(Thuja plicata) 		PF05368
(NmrA) 		5 VAL A  79
ALA A  85
PHE A 117
VAL A  21
VAL A 155
 None
 1.13A 5tudD-1qydA:
undetectable		 5tudD-1qydA:
22.91
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.
1spg HEMOGLOBIN

(Leiostomus
xanthurus) 		PF00042
(Globin) 		5 VAL B  67
PHE B 134
VAL B 114
LEU B 135
VAL B 138
 HEM  B 148 (-3.9A)
None
None
None
None
 1.21A 5tudD-1spgB:
undetectable		 5tudD-1spgB:
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.
1v4u HEMOGLOBIN ALPHA
CHAIN

(Thunnus thynnus) 		PF00042
(Globin) 		5 VAL A  64
PHE A 130
VAL A 111
LEU A 131
VAL A 134
 HEM  A 144 (-3.8A)
None
None
None
None
 1.06A 5tudD-1v4uA:
2.3		 5tudD-1v4uA:
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.
2akj FERREDOXIN--NITRITE
REDUCTASE,
CHLOROPLAST

(Spinacia
oleracea) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		5 VAL A 286
ALA A 273
VAL A 326
LEU A 293
VAL A 178
 None
 1.20A 5tudD-2akjA:
undetectable		 5tudD-2akjA:
21.52
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.
2bgh VINORINE SYNTHASE

(Rauvolfia
serpentina) 		PF02458
(Transferase) 		5 ALA A 382
PHE A 219
VAL A 259
LEU A 412
VAL A 415
 None
 1.06A 5tudD-2bghA:
undetectable		 5tudD-2bghA:
22.61
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.
2bq8 TARTRATE-RESISTANT
ACID PHOSPHATASE
TYPE 5

(Homo sapiens) 		PF00149
(Metallophos) 		5 VAL X 212
MET X 281
ALA X   4
PHE X   7
LEU X 216
 None
 1.25A 5tudD-2bq8X:
undetectable		 5tudD-2bq8X:
21.61
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.
2e54 ACETYLORNITHINE
AMINOTRANSFERASE

(Thermotoga
maritima) 		PF00202
(Aminotran_3) 		5 VAL A 375
ALA A 353
PHE A 330
LEU A 382
VAL A 316
 None
None
None
None
NA  A1004 (-4.4A)
 1.10A 5tudD-2e54A:
undetectable		 5tudD-2e54A:
21.26
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.
2eek TRYPSIN-1

(Gadus morhua) 		PF00089
(Trypsin) 		5 VAL A  88
ALA A 120
VAL A 212
LEU A  33
VAL A  65
 None
 1.23A 5tudD-2eekA:
undetectable		 5tudD-2eekA:
19.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gjx BETA-HEXOSAMINIDASE
ALPHA CHAIN

(Homo sapiens) 		PF00728
(Glyco_hydro_20)
PF14845
(Glycohydro_20b2) 		5 PHE A 305
PHE A 304
VAL A 290
LEU A 359
VAL A 363
 None
 1.28A 5tudD-2gjxA:
undetectable		 5tudD-2gjxA:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gjx BETA-HEXOSAMINIDASE
ALPHA CHAIN

(Homo sapiens) 		PF00728
(Glyco_hydro_20)
PF14845
(Glycohydro_20b2) 		5 VAL A 372
PHE A 305
PHE A 304
LEU A 359
VAL A 363
 None
 0.98A 5tudD-2gjxA:
undetectable		 5tudD-2gjxA:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gk1 BETA-HEXOSAMINIDASE
SUBUNIT ALPHA

(Homo sapiens) 		no annotation 5 VAL I 372
PHE I 305
PHE I 304
LEU I 359
VAL I 363
 None
 0.96A 5tudD-2gk1I:
undetectable		 5tudD-2gk1I:
22.45
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.
2hzh LACCASE

(Trametes
ochracea) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 ALA A 390
PHE A 463
VAL A 426
LEU A 451
VAL A 465
 None
CU  A 601 (-4.9A)
None
None
None
 1.14A 5tudD-2hzhA:
undetectable		 5tudD-2hzhA:
23.72
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.
2hzh LACCASE

(Trametes
ochracea) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 ASP A 340
ALA A 390
PHE A 463
VAL A 426
VAL A 465
 None
None
CU  A 601 (-4.9A)
None
None
 1.23A 5tudD-2hzhA:
undetectable		 5tudD-2hzhA:
23.72
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.
2npn PUTATIVE COBALAMIN
SYNTHESIS RELATED
PROTEIN

(Corynebacterium
diphtheriae) 		PF00590
(TP_methylase) 		5 MET A 125
ALA A 133
PHE A 106
LEU A  34
VAL A  32
 None
 0.94A 5tudD-2npnA:
undetectable		 5tudD-2npnA:
21.75
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.
2o79 LYSOZYME

(Escherichia
virus T4) 		PF00959
(Phage_lysozyme) 		5 MET A 102
ALA A  74
VAL A 149
LEU A 121
VAL A  87
 None
 1.28A 5tudD-2o79A:
undetectable		 5tudD-2o79A:
17.11
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.
2okx RHAMNOSIDASE B

(Bacillus sp.
GL1) 		PF05592
(Bac_rhamnosid)
PF08531
(Bac_rhamnosid_N)
PF17389
(Bac_rhamnosid6H)
PF17390
(Bac_rhamnosid_C) 		5 ALA A 221
PHE A 262
VAL A 258
GLN A 278
VAL A 266
 None
GOL  A3003 (-4.9A)
None
None
GOL  A3003 (-3.7A)
 0.99A 5tudD-2okxA:
undetectable		 5tudD-2okxA:
18.33
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.
2phl PHASEOLIN

(Phaseolus
vulgaris) 		PF00190
(Cupin_1) 		6 SER A 314
ALA A 250
PHE A 318
VAL A 308
LEU A 264
VAL A 266
 None
 1.42A 5tudD-2phlA:
undetectable		 5tudD-2phlA:
19.59
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.
2qt6 LACCASE

(Lentinus
tigrinus) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 ALA A 389
PHE A 462
VAL A 425
LEU A 450
VAL A 464
 None
CU  A 499 (-4.9A)
None
None
None
 1.11A 5tudD-2qt6A:
undetectable		 5tudD-2qt6A:
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.
2r1h HEMOGLOBIN SUBUNIT
BETA-4

(Oncorhynchus
mykiss) 		PF00042
(Globin) 		5 VAL B  67
PHE B 134
VAL B 114
LEU B 135
VAL B 138
 HEM  B 148 ( 4.0A)
None
None
EDO  B2775 ( 4.8A)
None
 1.09A 5tudD-2r1hB:
undetectable		 5tudD-2r1hB:
14.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vg8 HYDROQUINONE
GLUCOSYLTRANSFERASE

(Arabidopsis
thaliana) 		PF00201
(UDPGT) 		5 ASP A 117
ALA A 207
PHE A 124
LEU A  97
VAL A  90
 None
 1.06A 5tudD-2vg8A:
undetectable		 5tudD-2vg8A:
21.00
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.
2wok CLAVULANIC ACID
BIOSYNTHESIS
OLIGOPEPTIDE BINDING
PROTEIN 2

(Streptomyces
clavuligerus) 		PF00496
(SBP_bac_5) 		5 VAL A 127
ALA A  86
PHE A 174
LEU A 144
VAL A 164
 None
 1.22A 5tudD-2wokA:
undetectable		 5tudD-2wokA:
23.36
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.
2xyb LACCASE

(Trametes
cinnabarina) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 ALA A 390
PHE A 461
VAL A 426
LEU A 449
VAL A 463
 None
CU  A 501 ( 4.9A)
None
None
None
 1.10A 5tudD-2xybA:
undetectable		 5tudD-2xybA:
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.
2xyc NEURAL CELL ADHESION
MOLECULE 2

(Homo sapiens) 		PF00041
(fn3)
PF07679
(I-set)
PF13927
(Ig_3) 		5 ASP A 351
VAL A 370
PHE A 343
PHE A 341
LEU A 365
 None
 1.18A 5tudD-2xycA:
undetectable		 5tudD-2xycA:
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.
2zfb HEMOGLOBIN SUBUNIT
ALPHA

(Psittacula
krameri) 		PF00042
(Globin) 		5 VAL A  62
PHE A 128
VAL A 109
LEU A 129
VAL A 132
 HEM  A 150 ( 3.9A)
None
None
None
None
 1.23A 5tudD-2zfbA:
undetectable		 5tudD-2zfbA:
15.05
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.
3b2z ADAMTS-4

(Homo sapiens) 		PF01421
(Reprolysin) 		5 MET A 246
ALA A 252
PHE A 253
VAL A 266
VAL A 366
 None
 1.28A 5tudD-3b2zA:
undetectable		 5tudD-3b2zA:
21.59
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.
3bcq BETA-CHAIN
HEMOGLOBIN

(Brycon cephalus) 		PF00042
(Globin) 		5 VAL B  67
PHE B 134
VAL B 114
LEU B 135
VAL B 138
 HEM  B 147 (-4.2A)
None
None
None
None
 1.17A 5tudD-3bcqB:
undetectable		 5tudD-3bcqB:
12.80
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.
3c8t FUMARATE LYASE

(Chelativorans
sp. BNC1) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		5 SER A 212
ALA A 206
PHE A 203
LEU A 224
VAL A 220
 None
 1.24A 5tudD-3c8tA:
undetectable		 5tudD-3c8tA:
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.
3ei8 LL-DIAMINOPIMELATE
AMINOTRANSFERASE

(Arabidopsis
thaliana) 		PF00155
(Aminotran_1_2) 		5 ALA A 330
PHE A 274
GLN A 316
LEU A 279
VAL A 277
 None
None
GOL  A 435 ( 4.6A)
None
None
 1.22A 5tudD-3ei8A:
undetectable		 5tudD-3ei8A:
22.44
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.
3g1z PUTATIVE LYSYL-TRNA
SYNTHETASE

(Salmonella
enterica) 		PF00152
(tRNA-synt_2) 		5 PHE A  30
PHE A  29
VAL A 301
GLN A  94
VAL A  35
 None
 1.28A 5tudD-3g1zA:
undetectable		 5tudD-3g1zA:
21.15
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.
3gdj HEMOGLOBIN SUBUNIT
ALPHA

(Camelus
dromedarius) 		PF00042
(Globin) 		5 VAL A  62
PHE A 128
VAL A 109
LEU A 129
VAL A 132
 HEM  A 142 ( 4.0A)
None
None
None
None
 1.11A 5tudD-3gdjA:
2.5		 5tudD-3gdjA:
15.74
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.
3lke ENOYL-COA HYDRATASE

(Bacillus
halodurans) 		PF00378
(ECH_1) 		5 VAL A  89
MET A 119
ALA A 106
LEU A  32
VAL A   6
 None
 1.29A 5tudD-3lkeA:
undetectable		 5tudD-3lkeA:
21.81
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.
3ml3 OUTER MEMBRANE
PROTEIN ICSA
AUTOTRANSPORTER

(Shigella
flexneri) 		PF03212
(Pertactin) 		5 VAL A 608
ALA A 670
GLN A 633
LEU A 624
VAL A 622
 None
 1.16A 5tudD-3ml3A:
undetectable		 5tudD-3ml3A:
17.84
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.
3pxl LACCASE

(Trametes
hirsuta) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 ALA A 390
PHE A 463
VAL A 426
LEU A 451
VAL A 465
 None
CU  A1503 ( 4.9A)
None
None
None
 1.11A 5tudD-3pxlA:
undetectable		 5tudD-3pxlA:
19.81
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.
3qfi TRANSCRIPTIONAL
REGULATOR

(Enterococcus
faecalis) 		PF03816
(LytR_cpsA_psr) 		5 SER A 226
VAL A 216
VAL A 147
LEU A 157
VAL A 161
 None
 1.05A 5tudD-3qfiA:
undetectable		 5tudD-3qfiA:
21.89
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.
3rfy PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
CYP38, CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00160
(Pro_isomerase) 		5 VAL A 422
PHE A 274
VAL A 400
LEU A 262
VAL A 275
 None
 1.12A 5tudD-3rfyA:
2.3		 5tudD-3rfyA:
22.06
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.
3t0o RIBONUCLEASE T2

(Homo sapiens) 		PF00445
(Ribonuclease_T2) 		5 SER A 103
VAL A  40
GLN A 183
LEU A 238
VAL A  47
 None
 1.22A 5tudD-3t0oA:
undetectable		 5tudD-3t0oA:
19.20
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.
3t8j PURINE NUCLEOSIDASE,
(IUNH-1)

(Sulfolobus
solfataricus) 		PF01156
(IU_nuc_hydro) 		5 ASP A  13
SER A  17
VAL A  78
ASN A 164
VAL A 167
 None
None
None
NA  A 401 ( 4.7A)
None
 1.20A 5tudD-3t8jA:
undetectable		 5tudD-3t8jA:
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.
3u0b OXIDOREDUCTASE,
SHORT CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY PROTEIN

(Mycolicibacterium
smegmatis) 		PF13561
(adh_short_C2) 		5 SER A  49
VAL A  67
PHE A 101
PHE A  84
LEU A 105
 None
 1.15A 5tudD-3u0bA:
undetectable		 5tudD-3u0bA:
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.
3u1h 3-ISOPROPYLMALATE
DEHYDROGENASE

(Bacillus sp.
(in: Bacteria)) 		PF00180
(Iso_dh) 		5 VAL A 351
MET A 261
ALA A 117
ASN A 292
VAL A 342
 None
 1.18A 5tudD-3u1hA:
undetectable		 5tudD-3u1hA:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u7g BIFUNCTIONAL
POLYNUCLEOTIDE
PHOSPHATASE/KINASE

(Mus musculus) 		PF08645
(PNK3P)
PF13671
(AAA_33) 		5 ASP A 266
ALA A 251
PHE A 312
LEU A 318
VAL A 316
 None
 1.06A 5tudD-3u7gA:
undetectable		 5tudD-3u7gA:
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.
3vpz GLUCOKINASE

(Pseudoalteromonas
sp. AS-131) 		PF02685
(Glucokinase) 		5 SER A 294
ALA A 261
PHE A 289
GLN A 281
LEU A 284
 None
 0.97A 5tudD-3vpzA:
undetectable		 5tudD-3vpzA:
20.39
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.
3vva ALTERNATIVE OXIDASE,
MITOCHONDRIAL

(Trypanosoma
brucei) 		PF01786
(AOX) 		5 MET A 190
PHE A 208
VAL A 128
LEU A 212
VAL A  92
 CHW  A 504 ( 4.8A)
None
None
CHW  A 504 (-4.1A)
None
 1.15A 5tudD-3vvaA:
3.3		 5tudD-3vvaA:
19.57
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.
3w9v PHOSPHATE-BINDING
PROTEIN

(unidentified
prokaryotic
organism) 		PF12849
(PBP_like_2) 		5 PHE A 116
PHE A 150
VAL A 194
GLN A 136
VAL A 115
 None
 1.22A 5tudD-3w9vA:
undetectable		 5tudD-3w9vA:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wtg HEMOGLOBIN SUBUNIT
ALPHA-A

(Dromaius
novaehollandiae) 		PF00042
(Globin) 		5 VAL A  62
PHE A 128
VAL A 109
LEU A 129
VAL A 132
 HEM  A 201 (-3.9A)
None
None
None
None
 1.08A 5tudD-3wtgA:
undetectable		 5tudD-3wtgA:
15.01
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.
3wxr PROTEASOME SUBUNIT
BETA TYPE-4

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 ASP K  32
SER K  16
ALA K  46
GLN K  64
LEU K  37
 None
 1.20A 5tudD-3wxrK:
undetectable		 5tudD-3wxrK:
18.88
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.
3x1b LACCASE

(Lentinus) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 ALA A 412
PHE A 485
VAL A 448
LEU A 473
VAL A 487
 None
CU  A 617 ( 4.9A)
None
None
None
 1.15A 5tudD-3x1bA:
undetectable		 5tudD-3x1bA:
22.12
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.
3zgj 4-HYDROXYPHENYLPYRUV
IC ACID DIOXYGENASE

(Streptomyces
coelicolor) 		PF00903
(Glyoxalase)
PF14696
(Glyoxalase_5) 		5 VAL A 259
ALA A 114
PHE A  97
PHE A 202
VAL A 224
 None
 1.28A 5tudD-3zgjA:
undetectable		 5tudD-3zgjA:
22.22
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.
4a7k ALDOS-2-ULOSE
DEHYDRATASE

(Phanerochaete
chrysosporium) 		no annotation 5 VAL A 474
ALA A 642
PHE A 729
LEU A 613
VAL A 603
 None
 1.27A 5tudD-4a7kA:
undetectable		 5tudD-4a7kA:
19.10
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.
4ac1 ENDO-N-ACETYL-BETA-D
-GLUCOSAMINIDASE

(Trichoderma
reesei) 		PF00704
(Glyco_hydro_18) 		5 VAL X  53
MET X 126
ALA X 159
PHE X  94
LEU X  99
 None
None
ACT  X1288 ( 4.2A)
None
None
 1.20A 5tudD-4ac1X:
undetectable		 5tudD-4ac1X:
20.76
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.
4az7 BETA-N-ACETYLHEXOSAM
INIDASE

(Streptococcus
pneumoniae) 		PF00728
(Glyco_hydro_20) 		5 MET A 235
ALA A 346
VAL A 249
LEU A 228
VAL A 223
 None
 1.17A 5tudD-4az7A:
3.3		 5tudD-4az7A:
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.
4ddi UBIQUITIN-CONJUGATIN
G ENZYME E2 D2,
UBIQUITIN
THIOESTERASE OTUB1

(Homo sapiens) 		PF00179
(UQ_con)
PF10275
(Peptidase_C65) 		5 SER A1121
ALA A1226
PHE A1114
VAL A1257
LEU A1104
 None
 1.03A 5tudD-4ddiA:
undetectable		 5tudD-4ddiA:
21.49
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.
4df3 FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Aeropyrum
pernix) 		PF01269
(Fibrillarin) 		5 PHE A 171
PHE A 170
ASN A 167
LEU A  82
VAL A 145
 None
 1.12A 5tudD-4df3A:
undetectable		 5tudD-4df3A:
18.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dkl MU-TYPE OPIOID
RECEPTOR, LYSOZYME
CHIMERA

(Escherichia
virus T4;
Mus musculus) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 MET A1102
ALA A1074
VAL A1149
LEU A1121
VAL A1087
 None
 1.23A 5tudD-4dklA:
25.1		 5tudD-4dklA:
24.57
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.
4esa HEMOGLOBIN BETA
CHAIN

(Eleginops
maclovinus) 		PF00042
(Globin) 		5 VAL B  67
PHE B 133
VAL B 114
LEU B 134
VAL B 137
 HEM  B 202 (-3.9A)
None
None
None
None
 1.15A 5tudD-4esaB:
undetectable		 5tudD-4esaB:
15.75
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) 		12 ASP A 135
SER A 139
VAL A 208
MET A 218
ALA A 225
PHE A 340
PHE A 341
ASN A 344
VAL A 348
GLN A 359
LEU A 362
VAL A 366
 ERM  A2001 (-3.2A)
ERM  A2001 (-3.6A)
ERM  A2001 (-4.0A)
ERM  A2001 (-3.7A)
ERM  A2001 (-3.4A)
ERM  A2001 (-4.3A)
None
ERM  A2001 (-4.3A)
ERM  A2001 ( 4.9A)
None
ERM  A2001 ( 4.1A)
ERM  A2001 ( 4.2A)
 0.47A 5tudD-4ib4A:
39.2		 5tudD-4ib4A:
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.
4ijm CIRCADIAN CLOCK
PROTEIN KINASE KAIC

(Synechococcus
elongatus) 		PF06745
(ATPase) 		5 VAL A  74
ALA A 192
PHE A 151
VAL A 168
VAL A 150
 None
 1.24A 5tudD-4ijmA:
undetectable		 5tudD-4ijmA:
23.13
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.
4jhv LACCASE

(Coriolopsis
caperata) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 ALA A 389
PHE A 460
VAL A 425
LEU A 448
VAL A 462
 None
 1.15A 5tudD-4jhvA:
undetectable		 5tudD-4jhvA:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k1c VACUOLAR CALCIUM ION
TRANSPORTER

(Saccharomyces
cerevisiae) 		PF01699
(Na_Ca_ex) 		5 SER A 200
VAL A 329
PHE A 352
VAL A 364
LEU A 127
 None
None
IOD  A 516 (-4.4A)
None
None
 1.21A 5tudD-4k1cA:
undetectable		 5tudD-4k1cA:
22.20
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.
4lde LYSOZYME, BETA-2
ADRENERGIC RECEPTOR

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 ASP A1113
PHE A1289
PHE A1290
ASN A1293
VAL A1297
 P0G  A1401 (-2.9A)
P0G  A1401 ( 4.7A)
P0G  A1401 ( 4.9A)
P0G  A1401 (-3.0A)
None
 0.38A 5tudD-4ldeA:
30.8		 5tudD-4ldeA:
26.97
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.
4m8u OLIGO-1,6-GLUCOSIDAS
E 1

(Bacillus
subtilis) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		5 ASP A 332
ALA A 200
PHE A 144
PHE A 163
LEU A 388
 GOL  A 602 (-2.8A)
TRS  A 601 ( 4.0A)
TRS  A 601 (-4.8A)
TRS  A 601 ( 3.9A)
None
 1.24A 5tudD-4m8uA:
undetectable		 5tudD-4m8uA:
20.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mup AMIDOHYDROLASE

(Agrobacterium
fabrum) 		PF04909
(Amidohydro_2) 		5 SER A 210
VAL A 148
PHE A 177
PHE A 223
LEU A 155
 None
 1.29A 5tudD-4mupA:
undetectable		 5tudD-4mupA:
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.
4nes UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Methanocaldococcus
jannaschii) 		PF02350
(Epimerase_2) 		5 SER A 140
VAL A 358
ALA A 106
LEU A  16
VAL A 116
 None
 1.07A 5tudD-4nesA:
undetectable		 5tudD-4nesA:
25.10
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.
4pz0 SUGAR ABC
TRANSPORTER,
SUGAR-BINDING
PROTEIN

(Bacillus
anthracis) 		PF13407
(Peripla_BP_4) 		5 SER A  97
VAL A 330
VAL A 335
GLN A 141
LEU A 142
 PAV  A 401 ( 4.5A)
EDO  A 407 ( 4.8A)
None
EDO  A 407 ( 3.6A)
None
 1.24A 5tudD-4pz0A:
undetectable		 5tudD-4pz0A:
21.88
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.
4r04 TOXIN A

(Clostridioides
difficile) 		PF11713
(Peptidase_C80)
PF12918
(TcdB_N)
PF12919
(TcdA_TcdB)
PF12920
(TcdA_TcdB_pore) 		5 ALA A1207
PHE A1126
VAL A1231
LEU A1279
VAL A1122
 None
 1.26A 5tudD-4r04A:
2.7		 5tudD-4r04A:
13.57
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.
4u14 MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M3,ENDOLYSIN,MUSCARI
NIC ACETYLCHOLINE
RECEPTOR M3

(Escherichia
virus T4;
Rattus
norvegicus) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 MET A1102
ALA A1074
VAL A1149
LEU A1121
VAL A1087
 None
 1.26A 5tudD-4u14A:
27.1		 5tudD-4u14A:
28.08
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.
4wk7 A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 4

(Homo sapiens) 		PF01421
(Reprolysin) 		5 MET A 246
ALA A 252
PHE A 253
VAL A 266
VAL A 366
 None
 1.19A 5tudD-4wk7A:
undetectable		 5tudD-4wk7A:
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.
4wtv PHOSPHATIDYLINOSITOL
4-KINASE TYPE
2-BETA,ENDOLYSIN,PHO
SPHATIDYLINOSITOL
4-KINASE TYPE 2-BETA

(Escherichia
virus T4;
Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF00959
(Phage_lysozyme) 		5 MET A1101
ALA A1073
VAL A1148
LEU A1120
VAL A1086
 None
 1.28A 5tudD-4wtvA:
undetectable		 5tudD-4wtvA:
21.81
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.
4xpd N-TERMINAL
ACETYLTRANSFERASE A
COMPLEX SUBUNIT NAT1

(Saccharomyces
cerevisiae) 		PF12569
(NARP1) 		5 VAL A 348
ALA A 403
GLN A 336
LEU A 337
VAL A 367
 None
 1.14A 5tudD-4xpdA:
undetectable		 5tudD-4xpdA:
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.
5a60 INORGANIC
TRIPHOSPHATASE

(Escherichia
coli) 		PF01928
(CYTH) 		5 MET A  68
ALA A 192
VAL A 102
LEU A 112
VAL A 116
 None
 1.19A 5tudD-5a60A:
undetectable		 5tudD-5a60A:
23.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b2d HN PROTEIN

(Mumps
rubulavirus) 		PF00423
(HN) 		5 SER A 245
VAL A 395
ALA A 254
LEU A 417
VAL A 410
 None
 1.07A 5tudD-5b2dA:
undetectable		 5tudD-5b2dA:
23.59
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.
5buk FADH2-DEPENDENT
HALOGENASE

(Streptomyces
sp. CNQ-418) 		PF04820
(Trp_halogenase) 		5 SER A  17
VAL A  48
ALA A 177
VAL A 366
VAL A  54
 None
 1.20A 5tudD-5bukA:
undetectable		 5tudD-5bukA:
22.05
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.
5bz6 LYSOZYME,CALCIUM
UNIPORTER PROTEIN,
MITOCHONDRIAL

(Escherichia
virus T4;
Homo sapiens) 		PF00959
(Phage_lysozyme) 		5 MET A 102
ALA A  74
VAL A 149
LEU A 121
VAL A  87
 None
 1.27A 5tudD-5bz6A:
undetectable		 5tudD-5bz6A:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cww NUCLEOPORIN NUP82

(Chaetomium
thermophilum) 		no annotation 5 SER B 246
VAL B 199
MET B 276
VAL B 281
LEU B 369
 None
 1.27A 5tudD-5cwwB:
1.5		 5tudD-5cwwB:
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.
5eut PHOSPHATIDYLINOSITOL
4-KINASE TYPE
2-ALPHA,ENDOLYSIN,PH
OSPHATIDYLINOSITOL
4-KINASE TYPE
2-ALPHA

(Escherichia
virus T4;
Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF00959
(Phage_lysozyme) 		5 MET A1104
ALA A1076
VAL A1151
LEU A1123
VAL A1089
 None
 1.28A 5tudD-5eutA:
2.7		 5tudD-5eutA:
22.08
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.
5f8u BETA-1 ADRENERGIC
RECEPTOR

(Meleagris
gallopavo) 		no annotation 5 ASP B 121
PHE B 306
PHE B 307
ASN B 310
VAL B 314
 P32  B 400 (-2.2A)
P32  B 400 (-4.1A)
P32  B 400 (-4.9A)
P32  B 400 (-3.5A)
None
 0.75A 5tudD-5f8uB:
28.6		 5tudD-5f8uB:
29.26
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.
5gs6 NS1 OF ZIKA VIRUS
FROM 2015 BRAZIL
STRAIN

(Zika virus) 		PF00948
(Flavi_NS1) 		5 ASP A 180
VAL A 171
MET A  67
ALA A  27
VAL A  71
 None
 1.18A 5tudD-5gs6A:
undetectable		 5tudD-5gs6A:
19.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hyh UNCHARACTERIZED
PROTEIN

(Streptomyces
venezuelae) 		PF11583
(AurF) 		5 SER A 207
VAL A 325
ALA A 240
LEU A 262
VAL A 266
 None
 1.07A 5tudD-5hyhA:
4.1		 5tudD-5hyhA:
21.61
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.
5jhe PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
CYP7

(Saccharomyces
cerevisiae) 		PF00160
(Pro_isomerase)
PF00515
(TPR_1) 		5 VAL A 165
ALA A  73
PHE A  37
PHE A 144
LEU A  25
 None
 1.26A 5tudD-5jheA:
4.4		 5tudD-5jheA:
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.
5k2y PROBABLE PERIPLASMIC
SUGAR-BINDING
LIPOPROTEIN USPC

(Mycobacterium
tuberculosis) 		PF01547
(SBP_bac_1) 		5 ALA A 430
PHE A 232
PHE A 240
GLN A 218
LEU A 222
 None
 1.17A 5tudD-5k2yA:
undetectable		 5tudD-5k2yA:
22.54
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.
5ltg AUTOPHAGY-RELATED
PROTEIN 18

(Ogataea angusta) 		no annotation 5 ALA A 274
PHE A  39
PHE A  43
GLN A 521
VAL A  46
 None
 1.25A 5tudD-5ltgA:
undetectable		 5tudD-5ltgA:
22.65
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.
5o0s GLUCOSYLCERAMIDASE

(Thermoanaerobacterium
xylanolyticum) 		PF04685
(DUF608)
PF12215
(Glyco_hydr_116N)
PF17168
(DUF5127) 		5 VAL A 127
ALA A 249
PHE A 283
VAL A 106
LEU A 138
 None
 1.19A 5tudD-5o0sA:
undetectable		 5tudD-5o0sA:
20.53
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.
5of4 GENERAL
TRANSCRIPTION FACTOR
IIH SUBUNIT 2

(Homo sapiens) 		PF04056
(Ssl1) 		5 ASP E 178
PHE E 171
VAL E 167
LEU E 211
VAL E 207
 None
 1.16A 5tudD-5of4E:
undetectable		 5tudD-5of4E:
19.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tr9 FERREDOXIN-NADP
REDUCTASE

(Neisseria
gonorrhoeae) 		PF00175
(NAD_binding_1) 		5 SER A 226
MET A 248
PHE A 229
LEU A 126
VAL A 124
 None
 1.07A 5tudD-5tr9A:
undetectable		 5tudD-5tr9A:
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.
5ybb RESTRICTION
ENDONUCLEASE S
SUBUNITS

(Caldanaerobacter
subterraneus) 		no annotation 5 SER D  47
VAL D 177
ALA D  89
VAL D 167
LEU D 390
 None
 1.24A 5tudD-5ybbD:
undetectable		 5tudD-5ybbD:
22.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yqr ENDOLYSIN/MEMBRANE-A
NCHORED
LIPID-BINDING
PROTEIN LAM6 FUSION
PROTEIN

(Escherichia
virus T4;
Saccharomyces
cerevisiae) 		no annotation 5 MET A 102
ALA A  74
VAL A 149
LEU A 121
VAL A  87
 None
 1.27A 5tudD-5yqrA:
undetectable		 5tudD-5yqrA:
11.56
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.
6apx MALTOSE-BINDING
PERIPLASMIC
PROTEIN,DUAL
SPECIFICITY PROTEIN
PHOSPHATASE 1
MONOBODY YSX1

(Escherichia
coli;
Homo sapiens;
synthetic
construct) 		no annotation 5 MET A1274
VAL A1312
GLN A1307
LEU A1306
VAL B   9
 None
 1.30A 5tudD-6apxA:
undetectable		 5tudD-6apxA:
23.66
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.
6bar ROD SHAPE
DETERMINING PROTEIN
RODA

(Thermus
thermophilus) 		no annotation 5 VAL A 188
PHE A 309
PHE A 161
VAL A 144
VAL A 313
 None
 1.28A 5tudD-6barA:
undetectable		 5tudD-6barA:
10.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6bqh 5-HYDROXYTRYPTAMINE
RECEPTOR 2C,SOLUBLE
CYTOCHROME B562

(Escherichia
coli;
Homo sapiens) 		no annotation 9 ASP A 134
SER A 138
VAL A 208
ALA A 222
PHE A 327
PHE A 328
VAL A 335
LEU A 350
VAL A 354
 E2J  A1201 (-3.0A)
E2J  A1201 (-3.2A)
None
E2J  A1201 ( 3.8A)
E2J  A1201 (-4.6A)
E2J  A1201 (-4.4A)
None
E2J  A1201 ( 4.3A)
E2J  A1201 (-4.6A)
 1.06A 5tudD-6bqhA:
31.9		 5tudD-6bqhA:
69.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6bqh 5-HYDROXYTRYPTAMINE
RECEPTOR 2C,SOLUBLE
CYTOCHROME B562

(Escherichia
coli;
Homo sapiens) 		no annotation 9 ASP A 134
SER A 138
VAL A 208
PHE A 327
PHE A 328
ASN A 331
VAL A 335
LEU A 350
VAL A 354
 E2J  A1201 (-3.0A)
E2J  A1201 (-3.2A)
None
E2J  A1201 (-4.6A)
E2J  A1201 (-4.4A)
None
None
E2J  A1201 ( 4.3A)
E2J  A1201 (-4.6A)
 0.93A 5tudD-6bqhA:
31.9		 5tudD-6bqhA:
69.41
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.
6etz BETA-GALACTOSIDASE

(Arthrobacter
sp. 32cB) 		no annotation 5 SER A 311
PHE A 309
VAL A 261
LEU A 266
VAL A 281
 None
 1.29A 5tudD-6etzA:
undetectable		 5tudD-6etzA:
10.83