SIMILAR PATTERNS OF AMINO ACIDS FOR 4NQA_A_9CRA501_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.
1bw0 PROTEIN (TYROSINE
AMINOTRANSFERASE)

(Trypanosoma
cruzi) 		PF00155
(Aminotran_1_2) 		5 ILE A 406
GLN A 375
LEU A 368
HIS A 328
LEU A 325
 None
 1.06A 4nqaA-1bw0A:
undetectable		 4nqaA-1bw0A:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ece ENDOCELLULASE E1

(Acidothermus
cellulolyticus) 		PF00150
(Cellulase) 		5 ALA A 143
GLN A 142
PHE A 157
VAL A 101
LEU A  94
 None
 1.18A 4nqaA-1eceA:
undetectable		 4nqaA-1eceA:
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.
1gt9 KUMAMOLYSIN

(Bacillus
subtilis) 		PF00082
(Peptidase_S8) 		5 ILE 1 111
PHE 1 107
LEU 1 108
ALA 1 105
VAL 1 158
 None
 1.12A 4nqaA-1gt91:
undetectable		 4nqaA-1gt91:
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.
1gvf TAGATOSE-BISPHOSPHAT
E ALDOLASE AGAY

(Escherichia
coli) 		PF01116
(F_bP_aldolase) 		5 ILE A 176
GLN A 192
PHE A 191
LEU A 194
ALA A 195
 None
 1.16A 4nqaA-1gvfA:
undetectable		 4nqaA-1gvfA:
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.
1i9s MRNA CAPPING ENZYME

(Mus musculus) 		PF00782
(DSPc) 		5 PHE A 156
ALA A 152
CYH A 126
HIS A 125
LEU A  67
 None
 1.13A 4nqaA-1i9sA:
undetectable		 4nqaA-1i9sA:
18.26
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.
1iqp RFCS

(Pyrococcus
furiosus) 		PF00004
(AAA)
PF08542
(Rep_fac_C) 		5 ILE A 197
ARG A 179
LEU A 178
ALA A 175
VAL A 230
 None
 1.10A 4nqaA-1iqpA:
undetectable		 4nqaA-1iqpA:
22.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jpd L-ALA-D/L-GLU
EPIMERASE

(Escherichia
coli) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA X 199
LEU X 193
ALA X 194
VAL X 125
LEU X 147
 None
 1.14A 4nqaA-1jpdX:
undetectable		 4nqaA-1jpdX:
23.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pk0 CALMODULIN-SENSITIVE
ADENYLATE CYCLASE

(Bacillus
anthracis) 		PF03497
(Anthrax_toxA) 		5 ALA A 319
LEU A 497
ALA A 498
VAL A 574
HIS A 311
 None
 1.15A 4nqaA-1pk0A:
undetectable		 4nqaA-1pk0A:
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.
1qsa PROTEIN (SOLUBLE
LYTIC
TRANSGLYCOSYLASE
SLT70)

(Escherichia
coli) 		PF01464
(SLT)
PF14718
(SLT_L) 		5 ALA A 243
GLN A 245
ARG A 215
ALA A 210
VAL A 225
 None
SO4  A 706 (-3.3A)
None
SO4  A 706 (-3.2A)
None
 1.14A 4nqaA-1qsaA:
undetectable		 4nqaA-1qsaA:
19.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1r20 ULTRASPIRACLE
PROTEIN

(Heliothis
virescens) 		PF00104
(Hormone_recep) 		5 ARG A 297
LEU A 325
VAL A 341
HIS A 434
LEU A 435
 None
None
EPH  A4000 (-4.9A)
None
EPH  A4000 ( 4.6A)
 0.86A 4nqaA-1r20A:
22.9		 4nqaA-1r20A:
33.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1uhl RETINOIC ACID
RECEPTOR RXR-BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		9 ALA A 343
GLN A 346
PHE A 384
LEU A 397
ALA A 398
VAL A 413
CYH A 503
HIS A 506
LEU A 507
 MEI  A1001 (-3.3A)
None
MEI  A1001 (-4.5A)
MEI  A1001 ( 4.4A)
MEI  A1001 (-3.4A)
MEI  A1001 (-4.1A)
MEI  A1001 (-4.0A)
None
MEI  A1001 (-4.6A)
 0.67A 4nqaA-1uhlA:
33.8		 4nqaA-1uhlA:
66.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1uhl RETINOIC ACID
RECEPTOR RXR-BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		8 ILE A 339
ALA A 343
GLN A 346
PHE A 384
ARG A 387
LEU A 397
ALA A 398
CYH A 503
 MEI  A1001 (-3.8A)
MEI  A1001 (-3.3A)
None
MEI  A1001 (-4.5A)
MEI  A1001 (-3.6A)
MEI  A1001 ( 4.4A)
MEI  A1001 (-3.4A)
MEI  A1001 (-4.0A)
 0.70A 4nqaA-1uhlA:
33.8		 4nqaA-1uhlA:
66.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1uhl RETINOIC ACID
RECEPTOR RXR-BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		9 ILE A 339
ALA A 343
GLN A 346
PHE A 384
LEU A 397
ALA A 398
VAL A 413
CYH A 503
HIS A 506
 MEI  A1001 (-3.8A)
MEI  A1001 (-3.3A)
None
MEI  A1001 (-4.5A)
MEI  A1001 ( 4.4A)
MEI  A1001 (-3.4A)
MEI  A1001 (-4.1A)
MEI  A1001 (-4.0A)
None
 0.63A 4nqaA-1uhlA:
33.8		 4nqaA-1uhlA:
66.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xiu RXR-LIKE PROTEIN

(Biomphalaria
glabrata) 		PF00104
(Hormone_recep) 		6 ILE A 242
ALA A 245
GLN A 249
PHE A 287
VAL A 316
HIS A 409
 9CR  A 201 ( 4.4A)
9CR  A 201 (-3.6A)
9CR  A 201 (-4.1A)
9CR  A 201 (-4.7A)
9CR  A 201 (-4.2A)
9CR  A 201 (-4.8A)
 1.49A 4nqaA-1xiuA:
32.0		 4nqaA-1xiuA:
62.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xiu RXR-LIKE PROTEIN

(Biomphalaria
glabrata) 		PF00104
(Hormone_recep) 		10 ILE A 242
ALA A 246
GLN A 249
PHE A 287
ARG A 290
LEU A 300
ALA A 301
VAL A 316
CYH A 406
LEU A 410
 9CR  A 201 ( 4.4A)
9CR  A 201 (-3.6A)
9CR  A 201 (-4.1A)
9CR  A 201 (-4.7A)
9CR  A 201 (-2.8A)
9CR  A 201 (-4.4A)
9CR  A 201 (-3.4A)
9CR  A 201 (-4.2A)
9CR  A 201 (-3.6A)
9CR  A 201 ( 4.8A)
 0.55A 4nqaA-1xiuA:
32.0		 4nqaA-1xiuA:
62.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xiu RXR-LIKE PROTEIN

(Biomphalaria
glabrata) 		PF00104
(Hormone_recep) 		10 ILE A 242
ALA A 246
GLN A 249
PHE A 287
LEU A 300
ALA A 301
VAL A 316
CYH A 406
HIS A 409
LEU A 410
 9CR  A 201 ( 4.4A)
9CR  A 201 (-3.6A)
9CR  A 201 (-4.1A)
9CR  A 201 (-4.7A)
9CR  A 201 (-4.4A)
9CR  A 201 (-3.4A)
9CR  A 201 (-4.2A)
9CR  A 201 (-3.6A)
9CR  A 201 (-4.8A)
9CR  A 201 ( 4.8A)
 0.39A 4nqaA-1xiuA:
32.0		 4nqaA-1xiuA:
62.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xls RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		10 ILE A 268
ALA A 272
GLN A 275
PHE A 313
ARG A 316
LEU A 326
ALA A 327
CYH A 432
HIS A 435
LEU A 436
 9CR  A 801 (-3.9A)
9CR  A 801 (-3.5A)
9CR  A 801 (-4.7A)
9CR  A 801 (-4.3A)
9CR  A 801 (-2.6A)
9CR  A 801 (-4.1A)
9CR  A 801 (-3.3A)
9CR  A 801 ( 3.7A)
None
9CR  A 801 (-4.7A)
 0.53A 4nqaA-1xlsA:
34.0		 4nqaA-1xlsA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xls RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		10 ILE A 268
ALA A 272
GLN A 275
PHE A 313
LEU A 326
ALA A 327
VAL A 342
CYH A 432
HIS A 435
LEU A 436
 9CR  A 801 (-3.9A)
9CR  A 801 (-3.5A)
9CR  A 801 (-4.7A)
9CR  A 801 (-4.3A)
9CR  A 801 (-4.1A)
9CR  A 801 (-3.3A)
9CR  A 801 ( 4.3A)
9CR  A 801 ( 3.7A)
None
9CR  A 801 (-4.7A)
 0.37A 4nqaA-1xlsA:
34.0		 4nqaA-1xlsA:
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.
1xr6 GENOME POLYPROTEIN

(Rhinovirus A) 		PF00680
(RdRP_1) 		5 ILE A 299
GLN A 248
PHE A 247
LEU A 250
LEU A 351
 None
 1.15A 4nqaA-1xr6A:
undetectable		 4nqaA-1xr6A:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yn9 POLYNUCLEOTIDE
5'-PHOSPHATASE

(Autographa
californica
multiple
nucleopolyhedrovirus) 		PF00782
(DSPc) 		5 PHE A 149
ALA A 145
CYH A 119
HIS A 118
LEU A  61
 None
None
PO4  A 601 (-3.1A)
None
None
 1.15A 4nqaA-1yn9A:
undetectable		 4nqaA-1yn9A:
18.11
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.
2b9e NOL1/NOP2/SUN DOMAIN
FAMILY, MEMBER 5
ISOFORM 2

(Homo sapiens) 		PF01189
(Methyltr_RsmB-F) 		5 ILE A 422
LEU A 346
ALA A 345
CYH A 404
HIS A 403
 None
 1.18A 4nqaA-2b9eA:
undetectable		 4nqaA-2b9eA:
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.
2c46 MRNA CAPPING ENZYME

(Homo sapiens) 		PF00782
(DSPc) 		5 PHE A 156
ALA A 152
CYH A 126
HIS A 125
LEU A  67
 None
 1.14A 4nqaA-2c46A:
undetectable		 4nqaA-2c46A:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cs5 TYROSINE-PROTEIN
PHOSPHATASE,
NON-RECEPTOR TYPE 4

(Homo sapiens) 		PF00595
(PDZ) 		5 ILE A  87
ALA A  89
LEU A  98
VAL A  33
HIS A  80
 None
 1.12A 4nqaA-2cs5A:
undetectable		 4nqaA-2cs5A:
16.87
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.
2cyg BETA-1, 3-GLUCANANSE

(Musa acuminata) 		PF00332
(Glyco_hydro_17) 		5 ILE A 186
ARG A 138
LEU A 134
VAL A 159
LEU A 250
 None
 1.17A 4nqaA-2cygA:
undetectable		 4nqaA-2cygA:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dql PEX PROTEIN

(Nostoc sp. PCC
7120) 		PF03551
(PadR) 		5 ILE A  27
ALA A  23
GLN A  20
LEU A  66
LEU A  45
 None
 1.09A 4nqaA-2dqlA:
undetectable		 4nqaA-2dqlA:
13.88
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.
2g2x HYPOTHETICAL PROTEIN
PP5205

(Pseudomonas
putida) 		PF01878
(EVE) 		5 ILE A  15
ALA A  19
ARG A  64
ALA A 100
VAL A 108
 None
 0.80A 4nqaA-2g2xA:
undetectable		 4nqaA-2g2xA:
17.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gl8 RETINOIC ACID
RECEPTOR RXR-GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 ILE A  89
ARG A 200
LEU A 204
ALA A 203
LEU A 215
 None
 1.05A 4nqaA-2gl8A:
26.4		 4nqaA-2gl8A:
60.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gl8 RETINOIC ACID
RECEPTOR RXR-GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 PHE A  92
LEU A 105
ALA A 106
VAL A 121
CYH A 211
 None
 0.94A 4nqaA-2gl8A:
26.4		 4nqaA-2gl8A:
60.97
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.
2gsn PHOSPHODIESTERASE-NU
CLEOTIDE
PYROPHOSPHATASE

(Xanthomonas
citri) 		PF01663
(Phosphodiest) 		5 ALA A 378
LEU A  72
ALA A  73
HIS A  46
LEU A 404
 None
 1.08A 4nqaA-2gsnA:
undetectable		 4nqaA-2gsnA:
21.74
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.
2gza TYPE IV SECRETION
SYSTEM PROTEIN
VIRB11

(Brucella suis) 		PF00437
(T2SSE) 		5 ALA A 266
ARG A 246
LEU A 245
ALA A 242
LEU A 318
 None
 1.01A 4nqaA-2gzaA:
undetectable		 4nqaA-2gzaA:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h3m TIGHT JUNCTION
PROTEIN ZO-1

(Homo sapiens) 		PF00595
(PDZ) 		5 ALA A  91
GLN A  93
ARG A  96
LEU A  95
HIS A  46
 None
None
None
None
SO4  A 112 (-3.5A)
 1.09A 4nqaA-2h3mA:
undetectable		 4nqaA-2h3mA:
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.
2h3m TIGHT JUNCTION
PROTEIN ZO-1

(Homo sapiens) 		PF00595
(PDZ) 		5 ILE A  38
GLN A  93
ARG A  96
LEU A  95
HIS A  46
 None
None
None
None
SO4  A 112 (-3.5A)
 1.13A 4nqaA-2h3mA:
undetectable		 4nqaA-2h3mA:
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.
2i80 D-ALANINE-D-ALANINE
LIGASE

(Staphylococcus
aureus) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		5 ALA A 224
PHE A 281
ALA A 292
VAL A 117
LEU A 333
 None
None
None
G1L  A 400 (-4.0A)
None
 1.16A 4nqaA-2i80A:
undetectable		 4nqaA-2i80A:
23.38
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.
2kb2 BLRP1

(Klebsiella
pneumoniae) 		PF04940
(BLUF) 		5 ALA A  30
LEU A  26
ALA A  25
VAL A  77
LEU A  64
 FMN  A 149 (-3.4A)
FMN  A 149 (-4.0A)
None
None
FMN  A 149 ( 4.1A)
 1.16A 4nqaA-2kb2A:
undetectable		 4nqaA-2kb2A:
21.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2q60 RETINOID X RECEPTOR

(Polyandrocarpa
misakiensis) 		PF00104
(Hormone_recep) 		5 PHE A 188
ARG A 191
ALA A 202
VAL A 217
CYH A 307
 None
 0.73A 4nqaA-2q60A:
25.6		 4nqaA-2q60A:
53.97
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.
2qpm CYTOKININ
DEHYDROGENASE 1

(Zea mays) 		PF01565
(FAD_binding_4)
PF09265
(Cytokin-bind) 		5 ILE A 315
ALA A 313
LEU A 301
ALA A 302
VAL A 360
 None
 0.98A 4nqaA-2qpmA:
undetectable		 4nqaA-2qpmA:
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.
2v2f PENICILLIN BINDING
PROTEIN 1A

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		5 ILE F 375
ALA F 379
LEU F 449
ALA F 445
VAL F 585
 None
 1.17A 4nqaA-2v2fF:
undetectable		 4nqaA-2v2fF:
21.74
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.
2vsx EUKARYOTIC
INITIATION FACTOR 4F
SUBUNIT P150

(Saccharomyces
cerevisiae) 		PF02854
(MIF4G) 		5 ILE E 652
ALA E 656
LEU E 614
VAL E 673
LEU E 753
 None
 0.99A 4nqaA-2vsxE:
undetectable		 4nqaA-2vsxE:
24.23
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.
2z1p COLLAGEN ADHESIN
PROTEIN

(Enterococcus
faecalis) 		PF05737
(Collagen_bind) 		5 ILE A 252
GLN A 246
PHE A 244
LEU A 241
ALA A 242
 None
 1.15A 4nqaA-2z1pA:
undetectable		 4nqaA-2z1pA:
21.74
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.
2zuf ARGINYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00750
(tRNA-synt_1d)
PF03485
(Arg_tRNA_synt_N)
PF05746
(DALR_1) 		6 ILE A 394
ALA A 397
GLN A 399
LEU A 410
ALA A 407
LEU A 322
 None
 1.27A 4nqaA-2zufA:
undetectable		 4nqaA-2zufA:
20.85
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.
2zwa LEUCINE CARBOXYL
METHYLTRANSFERASE 2

(Saccharomyces
cerevisiae) 		PF04072
(LCM)
PF13418
(Kelch_4) 		5 ILE A 257
GLN A 268
LEU A 270
ALA A 271
LEU A 621
 None
 1.16A 4nqaA-2zwaA:
undetectable		 4nqaA-2zwaA:
19.89
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.
3asi NEUREXIN-1-ALPHA

(Bos taurus) 		PF02210
(Laminin_G_2) 		6 ILE A 905
GLN A 895
PHE A 896
LEU A1016
ALA A1017
HIS A 926
 None
 1.32A 4nqaA-3asiA:
undetectable		 4nqaA-3asiA:
21.68
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.
3dev SH1221

(Staphylococcus
haemolyticus) 		PF01368
(DHH)
PF02272
(DHHA1) 		5 ILE A 268
ALA A 279
LEU A 308
ALA A 307
VAL A 242
 None
 1.08A 4nqaA-3devA:
undetectable		 4nqaA-3devA:
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.
3dj4 BIFUNCTIONAL PROTEIN
GLMU

(Mycobacterium
tuberculosis) 		PF00132
(Hexapep)
PF12804
(NTP_transf_3) 		5 ILE A  44
LEU A 123
ALA A 124
VAL A  54
LEU A  74
 None
 1.12A 4nqaA-3dj4A:
undetectable		 4nqaA-3dj4A:
20.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		10 ILE A 268
ALA A 272
GLN A 275
PHE A 313
ARG A 316
ALA A 327
VAL A 342
CYH A 432
HIS A 435
LEU A 436
 9CR  A7223 (-3.9A)
9CR  A7223 (-4.2A)
9CR  A7223 (-4.6A)
9CR  A7223 (-4.5A)
9CR  A7223 (-3.7A)
9CR  A7223 ( 4.7A)
9CR  A7223 ( 4.5A)
9CR  A7223 (-3.8A)
9CR  A7223 (-4.3A)
9CR  A7223 ( 4.7A)
 0.76A 4nqaA-3dzuA:
32.2		 4nqaA-3dzuA:
78.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		10 ILE A 268
ALA A 272
GLN A 275
PHE A 313
LEU A 326
ALA A 327
VAL A 342
CYH A 432
HIS A 435
LEU A 436
 9CR  A7223 (-3.9A)
9CR  A7223 (-4.2A)
9CR  A7223 (-4.6A)
9CR  A7223 (-4.5A)
9CR  A7223 (-3.8A)
9CR  A7223 ( 4.7A)
9CR  A7223 ( 4.5A)
9CR  A7223 (-3.8A)
9CR  A7223 (-4.3A)
9CR  A7223 ( 4.7A)
 0.74A 4nqaA-3dzuA:
32.2		 4nqaA-3dzuA:
78.16
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.
3e1k GALACTOSE/LACTOSE
METABOLISM
REGULATORY PROTEIN
GAL80

(Kluyveromyces
lactis) 		PF01408
(GFO_IDH_MocA) 		5 ILE A 106
GLN A  83
LEU A  78
VAL A 121
LEU A 145
 None
 0.94A 4nqaA-3e1kA:
undetectable		 4nqaA-3e1kA:
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.
3e1k GALACTOSE/LACTOSE
METABOLISM
REGULATORY PROTEIN
GAL80

(Kluyveromyces
lactis) 		PF01408
(GFO_IDH_MocA) 		5 ILE A 106
GLN A  83
PHE A  81
LEU A  78
VAL A 121
 None
 1.06A 4nqaA-3e1kA:
undetectable		 4nqaA-3e1kA:
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.
3e21 FAS-ASSOCIATED
FACTOR 1

(Homo sapiens) 		PF14555
(UBA_4) 		5 ILE A  10
ALA A  12
GLN A  15
LEU A  30
ALA A  26
 None
 1.18A 4nqaA-3e21A:
undetectable		 4nqaA-3e21A:
7.44
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.
3e5y TRMH FAMILY RNA
METHYLTRANSFERASE

(Burkholderia
pseudomallei) 		PF00588
(SpoU_methylase) 		5 ILE A  19
LEU A  49
ALA A  47
HIS A  30
LEU A   6
 None
 1.12A 4nqaA-3e5yA:
undetectable		 4nqaA-3e5yA:
19.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3eyb NUCLEAR HORMONE
RECEPTOR RXR

(Branchiostoma
floridae) 		PF00104
(Hormone_recep) 		5 PHE A 342
LEU A 355
VAL A 371
CYH A 461
HIS A 464
 None
 1.15A 4nqaA-3eybA:
26.8		 4nqaA-3eybA:
84.14
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.
3hvs THIOL PEROXIDASE

(Escherichia
coli) 		PF08534
(Redoxin) 		5 ALA A  25
GLN A  26
PHE A  28
ALA A 117
VAL A  80
 None
 1.18A 4nqaA-3hvsA:
undetectable		 4nqaA-3hvsA:
18.84
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.
3hz6 XYLULOKINASE

(Chromobacterium
violaceum) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 ILE A 112
ALA A 114
LEU A 121
ALA A 118
VAL A 139
 None
 1.07A 4nqaA-3hz6A:
undetectable		 4nqaA-3hz6A:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ib3 COCE/NOND FAMILY
HYDROLASE

(Staphylococcus
aureus) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C) 		5 ILE A 494
GLN A 473
ARG A 276
VAL A 513
LEU A 554
 None
 1.14A 4nqaA-3ib3A:
undetectable		 4nqaA-3ib3A:
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.
3jzj ACARBOSE/MALTOSE
BINDING PROTEIN GACH

(Streptomyces
glaucescens) 		PF13416
(SBP_bac_8) 		5 ALA A 162
LEU A 144
ALA A 147
VAL A 250
LEU A 220
 None
 1.18A 4nqaA-3jzjA:
undetectable		 4nqaA-3jzjA:
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.
3l0g NICOTINATE-NUCLEOTID
E PYROPHOSPHORYLASE

(Ehrlichia
chaffeensis) 		PF01729
(QRPTase_C)
PF02749
(QRPTase_N) 		5 ILE A  94
LEU A  13
ALA A  12
VAL A  63
LEU A 271
 None
 1.08A 4nqaA-3l0gA:
undetectable		 4nqaA-3l0gA:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m2t PROBABLE
DEHYDROGENASE

(Chromobacterium
violaceum) 		PF01408
(GFO_IDH_MocA) 		5 ILE A 321
ALA A 178
GLN A 177
LEU A 175
ALA A 176
 None
 1.17A 4nqaA-3m2tA:
undetectable		 4nqaA-3m2tA:
22.89
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.
3n0w ABC BRANCHED CHAIN
AMINO ACID FAMILY
TRANSPORTER,
PERIPLASMIC LIGAND
BINDING PROTEIN

(Paraburkholderia
xenovorans) 		PF13458
(Peripla_BP_6) 		5 ILE A 140
ALA A 309
GLN A 312
LEU A 347
VAL A 113
 None
 1.13A 4nqaA-3n0wA:
undetectable		 4nqaA-3n0wA:
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.
3nzq BIOSYNTHETIC
ARGININE
DECARBOXYLASE

(Escherichia
coli) 		PF02784
(Orn_Arg_deC_N) 		5 ILE A 185
ALA A 183
LEU A 213
ALA A 210
LEU A 159
 None
 1.15A 4nqaA-3nzqA:
undetectable		 4nqaA-3nzqA:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o0m HIT FAMILY PROTEIN

(Mycolicibacterium
smegmatis) 		PF01230
(HIT) 		5 ILE A  67
ALA A  71
LEU A 136
ALA A 135
HIS A 101
 None
None
None
None
AMP  A 155 (-3.8A)
 0.73A 4nqaA-3o0mA:
undetectable		 4nqaA-3o0mA:
16.85
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.
3orq N5-CARBOXYAMINOIMIDA
ZOLE RIBONUCLEOTIDE
SYNTHETASE

(Staphylococcus
aureus) 		PF02222
(ATP-grasp)
PF02826
(2-Hacid_dh_C) 		5 ALA A 101
GLN A 103
LEU A  86
ALA A  83
VAL A 295
 None
 1.07A 4nqaA-3orqA:
undetectable		 4nqaA-3orqA:
19.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3poy NEUREXIN-1-ALPHA

(Bos taurus) 		PF00008
(EGF)
PF02210
(Laminin_G_2) 		6 ILE A 965
GLN A 955
PHE A 956
LEU A1076
ALA A1077
HIS A 986
 None
 1.28A 4nqaA-3poyA:
undetectable		 4nqaA-3poyA:
15.78
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.
3qcw NEUREXIN-1-ALPHA

(Bos taurus) 		PF00008
(EGF)
PF02210
(Laminin_G_2) 		5 ILE A 949
GLN A 939
LEU A1060
ALA A1061
HIS A 970
 None
 1.11A 4nqaA-3qcwA:
undetectable		 4nqaA-3qcwA:
14.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tlm SARCOPLASMIC/ENDOPLA
SMIC RETICULUM
CALCIUM ATPASE 1

(Bos taurus) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF08282
(Hydrolase_3)
PF13246
(Cation_ATPase) 		5 ILE A 742
ALA A 745
LEU A 734
ALA A 331
VAL A 620
 None
 1.13A 4nqaA-3tlmA:
undetectable		 4nqaA-3tlmA:
16.23
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.
3vx4 PUTATIVE ABC
TRANSPORTER,
ATP-BINDING PROTEIN
COMA

(Streptococcus
mutans) 		PF00005
(ABC_tran) 		5 ILE A 574
LEU A 570
VAL A 685
HIS A 603
LEU A 600
 None
 1.12A 4nqaA-3vx4A:
undetectable		 4nqaA-3vx4A:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4am3 POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Caulobacter
vibrioides) 		PF00013
(KH_1)
PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF03726
(PNPase) 		5 ILE A 219
GLN A 213
ALA A 183
VAL A  31
LEU A  16
 None
 1.18A 4nqaA-4am3A:
undetectable		 4nqaA-4am3A:
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.
4ay7 METHYLCOBALAMIN:
COENZYME M
METHYLTRANSFERASE

(Methanosarcina
mazei) 		PF01208
(URO-D) 		5 ALA A 185
ALA A 190
VAL A 100
HIS A 103
LEU A 158
 None
 1.12A 4nqaA-4ay7A:
undetectable		 4nqaA-4ay7A:
22.87
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.
4b90 DIHYDROPYRIMIDINASE-
RELATED PROTEIN 5

(Homo sapiens) 		PF01979
(Amidohydro_1) 		5 ILE A 243
LEU A 245
ALA A 269
HIS A 240
LEU A 475
 None
 1.17A 4nqaA-4b90A:
undetectable		 4nqaA-4b90A:
20.77
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.
4bs9 TRUD

(uncultured
Prochloron sp.
06037A) 		PF02624
(YcaO) 		5 ILE A 271
GLN A 265
LEU A 134
ALA A 133
LEU A 293
 None
 1.12A 4nqaA-4bs9A:
undetectable		 4nqaA-4bs9A:
18.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gs5 ACYL-COA SYNTHETASE
(AMP-FORMING)/AMP-AC
ID LIGASE II-LIKE
PROTEIN

(Dyadobacter
fermentans) 		PF00501
(AMP-binding) 		5 ILE A 205
ALA A 186
ALA A  69
HIS A 216
LEU A 215
 None
None
EDO  A 418 ( 3.7A)
None
None
 1.09A 4nqaA-4gs5A:
undetectable		 4nqaA-4gs5A:
21.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4j5x RETINOIC ACID
RECEPTOR RXR-ALPHA,
NUCLEAR RECEPTOR
COACTIVATOR 1

(Homo sapiens) 		no annotation 6 ILE D 268
ALA D 272
GLN D 275
PHE D 313
ARG D 316
ALA D 327
 None
 0.73A 4nqaA-4j5xD:
33.3		 4nqaA-4j5xD:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4j5x RETINOIC ACID
RECEPTOR RXR-ALPHA,
NUCLEAR RECEPTOR
COACTIVATOR 1

(Homo sapiens) 		no annotation 10 ILE D 268
ALA D 272
GLN D 275
PHE D 313
LEU D 326
ALA D 327
VAL D 342
CYH D 432
HIS D 435
LEU D 436
 None
 0.74A 4nqaA-4j5xD:
33.3		 4nqaA-4j5xD:
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.
4jz7 CARBAMATE KINASE

(Giardia
intestinalis) 		PF00696
(AA_kinase) 		5 ILE A  39
ALA A  35
ALA A  96
VAL A   7
LEU A 235
 None
 1.09A 4nqaA-4jz7A:
undetectable		 4nqaA-4jz7A:
22.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ks8 SERINE/THREONINE-PRO
TEIN KINASE PAK 6

(Homo sapiens) 		PF00069
(Pkinase) 		5 ILE A 503
GLN A 660
LEU A 631
VAL A 493
LEU A 667
 None
 0.85A 4nqaA-4ks8A:
undetectable		 4nqaA-4ks8A:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n5i ESTERASE/LIPASE

(Lactobacillus
rhamnosus) 		PF07859
(Abhydrolase_3) 		5 ILE X 116
ALA X 121
VAL X 226
HIS X 220
LEU X 217
 None
 1.00A 4nqaA-4n5iX:
undetectable		 4nqaA-4n5iX:
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.
4nec PUTATIVE
SAM-DEPENDENT
METHYLTRANSFERASE

(Streptomyces
lasaliensis) 		PF13649
(Methyltransf_25) 		5 ARG A 184
LEU A 183
ALA A 180
VAL A 108
LEU A  33
 None
 1.04A 4nqaA-4necA:
undetectable		 4nqaA-4necA:
23.24
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.
4okm TERPENE SYNTHASE
METAL-BINDING
DOMAIN-CONTAINING
PROTEIN

(Streptomyces
pristinaespiralis) 		no annotation 5 ILE A  59
ALA A  57
PHE A  55
LEU A  71
ALA A  72
 None
 1.13A 4nqaA-4okmA:
undetectable		 4nqaA-4okmA:
19.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pe8 TAT-LINKED QUALITY
CONTROL PROTEIN TATD

(Escherichia
coli) 		PF01026
(TatD_DNase) 		5 GLN A 162
ARG A 158
LEU A 189
CYH A 128
HIS A 127
 None
 1.03A 4nqaA-4pe8A:
undetectable		 4nqaA-4pe8A:
23.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u48 PUTATIVE INNER
MEMBRANE LIPOPROTEIN

(Salmonella
enterica) 		PF00207
(A2M)
PF01835
(A2M_N)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl)
PF11974
(MG1) 		5 ARG A 117
LEU A 109
ALA A 110
VAL A  92
LEU A  59
 None
 1.16A 4nqaA-4u48A:
undetectable		 4nqaA-4u48A:
11.92
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.
4v1u LYND

(Lyngbya
aestuarii) 		PF02624
(YcaO) 		5 ILE A 264
GLN A 258
LEU A 134
ALA A 133
LEU A 286
 None
 1.01A 4nqaA-4v1uA:
undetectable		 4nqaA-4v1uA:
17.67
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.
4v1u LYND

(Lyngbya
aestuarii) 		PF02624
(YcaO) 		5 ILE A 264
GLN A 258
LEU A 134
ALA A 133
VAL A 195
 None
 1.14A 4nqaA-4v1uA:
undetectable		 4nqaA-4v1uA:
17.67
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.
4xbo TRNA
(CYTIDINE/URIDINE-2'
-O-)-METHYLTRANSFERA
SE TRMJ

(Escherichia
coli) 		PF00588
(SpoU_methylase) 		5 ALA A  22
LEU A  49
ALA A  50
VAL A  40
LEU A   9
 None
 1.07A 4nqaA-4xboA:
undetectable		 4nqaA-4xboA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ypl LON PROTEASE

(Meiothermus
taiwanensis) 		PF00004
(AAA)
PF05362
(Lon_C) 		5 ILE A 687
PHE A 657
LEU A 663
ALA A 616
LEU A 766
 None
 1.19A 4nqaA-4yplA:
undetectable		 4nqaA-4yplA:
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.
4z8z UNCHARACTERIZED
PROTEIN

(Ruminiclostridium
thermocellum) 		no annotation 5 ILE A 163
PHE A 159
ALA A 158
HIS A 197
LEU A 183
 None
 1.01A 4nqaA-4z8zA:
undetectable		 4nqaA-4z8zA:
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.
5bpv POLYMERASE COFACTOR
VP35

(Zaire
ebolavirus) 		PF02097
(Filo_VP35) 		5 ILE A 246
GLN A 244
LEU A 242
VAL A 284
LEU A 256
 None
 1.18A 4nqaA-5bpvA:
undetectable		 4nqaA-5bpvA:
18.44
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.
5cuk RULER PROTEIN

(Pseudomonas
aeruginosa) 		PF02120
(Flg_hook) 		5 ILE A 312
ALA A 314
GLN A 348
VAL A 270
LEU A 291
 None
 1.18A 4nqaA-5cukA:
undetectable		 4nqaA-5cukA:
13.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d6a PREDICTED ATPASE OF
THE ABC CLASS

(Vibrio
vulnificus) 		PF09818
(ABC_ATPase) 		5 ILE A 488
ALA A 487
LEU A 464
ALA A 458
LEU A 513
 None
 1.14A 4nqaA-5d6aA:
undetectable		 4nqaA-5d6aA:
19.62
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.
5epa SNOK

(Streptomyces
nogalater) 		PF05721
(PhyH) 		5 ALA A  72
GLN A  74
VAL A  66
HIS A  67
LEU A  49
 None
 1.16A 4nqaA-5epaA:
undetectable		 4nqaA-5epaA:
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.
5gw5 T-COMPLEX PROTEIN 1
SUBUNIT BETA

(Saccharomyces
cerevisiae) 		PF00118
(Cpn60_TCP1) 		5 ALA b 414
ARG b 438
LEU b 437
ALA b 434
VAL b 401
 None
 0.99A 4nqaA-5gw5b:
undetectable		 4nqaA-5gw5b:
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.
5he9 HELICASE LOADER

(Staphylococcus
aureus) 		PF01695
(IstB_IS21) 		5 ILE A 285
ALA A 283
LEU A 270
ALA A 271
HIS A 246
 None
 1.12A 4nqaA-5he9A:
undetectable		 4nqaA-5he9A:
17.43
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.
5hfn CEPHALOSPORIN-C
DEACETYLASE

(Thermotoga
maritima) 		PF05448
(AXE1) 		5 ILE A 111
GLN A 179
PHE A 174
ALA A 172
VAL A  54
 None
 1.01A 4nqaA-5hfnA:
undetectable		 4nqaA-5hfnA:
19.42
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.
5ijg CYS/MET METABOLISM
PYRIDOXAL-PHOSPHATE-
DEPENDENT ENZYME

(Brucella
melitensis) 		PF01053
(Cys_Met_Meta_PP) 		5 ILE A 404
ALA A 378
VAL A 314
HIS A 311
LEU A 420
 None
 1.12A 4nqaA-5ijgA:
undetectable		 4nqaA-5ijgA:
23.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j5v IMMUNITY PROTEIN
CDII

(Escherichia
coli) 		no annotation 5 ILE C  30
ALA C  46
GLN C  49
PHE C  27
LEU C  35
 None
 0.93A 4nqaA-5j5vC:
undetectable		 4nqaA-5j5vC:
14.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lac 3CL PROTEASE

(Alphamesonivirus
1) 		PF17222
(Peptidase_C107) 		5 ILE A  90
ALA A  83
LEU A  85
CYH A  70
LEU A  73
 None
 1.16A 4nqaA-5lacA:
undetectable		 4nqaA-5lacA:
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.
5u4o ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Bacillus
anthracis) 		PF00496
(SBP_bac_5) 		5 ILE A 304
ALA A 303
GLN A 302
ALA A 484
VAL A 393
 None
 1.10A 4nqaA-5u4oA:
undetectable		 4nqaA-5u4oA:
20.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5uan RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		no annotation 11 ILE A 268
ALA A 272
GLN A 275
PHE A 313
ARG A 316
LEU A 326
ALA A 327
VAL A 342
CYH A 432
HIS A 435
LEU A 436
 9CR  A 503 (-4.0A)
9CR  A 503 (-3.5A)
9CR  A 503 (-3.8A)
9CR  A 503 (-4.7A)
9CR  A 503 (-3.0A)
9CR  A 503 (-4.3A)
9CR  A 503 (-3.4A)
None
9CR  A 503 (-3.3A)
None
9CR  A 503 ( 4.8A)
 0.57A 4nqaA-5uanA:
33.2		 4nqaA-5uanA:
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.
5wq7 PUTATIVE TYPE II
SECRETION SYSTEM
PROTEIN D

(Escherichia
coli) 		PF00263
(Secretin)
PF03958
(Secretin_N) 		5 ILE A 158
ALA A 114
ARG A 122
LEU A 121
ALA A 118
 None
 0.92A 4nqaA-5wq7A:
undetectable		 4nqaA-5wq7A:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xyi RIBOSOMAL PROTEIN
S19E, PUTATIVE

(Trichomonas
vaginalis) 		PF01090
(Ribosomal_S19e) 		5 ILE T  68
ALA T  64
LEU T  25
ALA T  26
LEU T 111
 None
 1.08A 4nqaA-5xyiT:
undetectable		 4nqaA-5xyiT:
16.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6co0 STYRYLPYRONE
SYNTHASE 1

(Piper
methysticum) 		no annotation 5 ILE A 224
ALA A 110
ALA A 115
HIS A 126
LEU A 127
 None
 1.13A 4nqaA-6co0A:
undetectable		 4nqaA-6co0A:
13.38
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.
6fik POLYKETIDE SYNTHASE

(Cercospora
nicotianae) 		no annotation 5 ILE A 831
ALA A 884
LEU A1233
ALA A1234
LEU A 864
 None
 1.03A 4nqaA-6fikA:
undetectable		 4nqaA-6fikA:
12.80