SIMILAR PATTERNS OF AMINO ACIDS FOR 3OKX_B_SAMB201_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.
1bkh MUCONATE LACTONIZING
ENZYME

(Pseudomonas
putida) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 367
ARG A  38
GLY A 308
THR A 309
LEU A 362
 None
 1.11A 3okxB-1bkhA:
0.0		 3okxB-1bkhA:
20.33
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.
1dcu FRUCTOSE-1,6-BISPHOS
PHATASE

(Pisum sativum) 		PF00316
(FBPase) 		5 TYR A 192
LEU A 128
PRO A 127
GLY A 141
LEU A  55
 None
 1.27A 3okxB-1dcuA:
0.0		 3okxB-1dcuA:
19.77
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.
1e33 ARYLSULFATASE A

(Homo sapiens) 		PF00884
(Sulfatase)
PF14707
(Sulfatase_C) 		5 LEU P  49
CYH P  38
HIS P  41
LEU P  31
GLY P  32
 None
 1.24A 3okxB-1e33P:
0.0		 3okxB-1e33P:
17.14
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.
1i7o 4-HYDROXYPHENYLACETA
TE DEGRADATION
BIFUNCTIONAL
ISOMERASE/DECARBOXYL
ASE

(Escherichia
coli) 		PF01557
(FAA_hydrolase) 		5 LEU A 375
TYR A 232
LEU A 368
THR A 364
LEU A 228
 None
 1.32A 3okxB-1i7oA:
0.0		 3okxB-1i7oA:
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.
1iwl OUTER-MEMBRANE
LIPOPROTEINS CARRIER
PROTEIN

(Escherichia
coli) 		PF03548
(LolA) 		5 LEU A   6
LEU A  92
GLY A  86
THR A  85
LEU A  10
 None
 0.96A 3okxB-1iwlA:
0.0		 3okxB-1iwlA:
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.
1m7j D-AMINOACYLASE

(Alcaligenes
faecalis) 		PF07969
(Amidohydro_3) 		5 PRO A 194
GLY A 189
THR A 188
SER A 187
LEU A 114
 None
 0.96A 3okxB-1m7jA:
0.0		 3okxB-1m7jA:
16.98
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.
1r9j TRANSKETOLASE

(Leishmania
mexicana) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 LEU A 547
ARG A 571
PRO A 600
GLY A 649
THR A 648
 None
 1.12A 3okxB-1r9jA:
undetectable		 3okxB-1r9jA:
13.54
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.
1s16 TOPOISOMERASE IV
SUBUNIT B

(Escherichia
coli) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		5 LEU A1253
CYH A1316
LEU A1368
PRO A1234
LEU A1287
 None
 1.34A 3okxB-1s16A:
0.0		 3okxB-1s16A:
18.42
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.
1spi FRUCTOSE
1,6-BISPHOSPHATASE

(Spinacia
oleracea) 		PF00316
(FBPase) 		5 TYR A 193
LEU A 130
PRO A 129
GLY A 143
LEU A  57
 None
 1.05A 3okxB-1spiA:
0.0		 3okxB-1spiA:
21.25
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.
1thg LIPASE 2

(Galactomyces
candidus) 		PF00135
(COesterase) 		5 LEU A 297
LEU A 172
ARG A  38
PRO A 168
GLY A 173
 None
 1.29A 3okxB-1thgA:
undetectable		 3okxB-1thgA:
15.44
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.
2b5d ALPHA-AMYLASE

(Thermotoga
maritima) 		PF03065
(Glyco_hydro_57)
PF09210
(DUF1957) 		5 LEU X 505
TYR X 437
LEU X 449
ARG X 447
LEU X 444
 None
 1.00A 3okxB-2b5dX:
undetectable		 3okxB-2b5dX:
15.43
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.
2d5l DIPEPTIDYL
AMINOPEPTIDASE IV,
PUTATIVE

(Porphyromonas
gingivalis) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 LEU A 289
HIS A 267
LEU A 276
GLY A 320
THR A 319
 None
 1.33A 3okxB-2d5lA:
undetectable		 3okxB-2d5lA:
15.02
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.
2e9k PROTEIN MICAL-2

(Homo sapiens) 		PF00307
(CH) 		5 LEU A  60
CYH A  44
GLY A  88
THR A  87
LEU A  41
 None
 1.33A 3okxB-2e9kA:
undetectable		 3okxB-2e9kA:
20.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j1n OUTER MEMBRANE
PROTEIN C

(Escherichia
coli) 		PF00267
(Porin_1) 		5 LEU A 285
ARG A 287
GLY A 282
SER A 280
LEU A 250
 None
 1.10A 3okxB-2j1nA:
undetectable		 3okxB-2j1nA:
18.62
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.
2pgg RNA-DIRECTED RNA
POLYMERASE

(Infectious
bursal disease
virus) 		PF04197
(Birna_RdRp) 		5 LEU A 249
GLY A 268
THR A 266
SER A 256
LEU A 346
 None
 1.17A 3okxB-2pggA:
undetectable		 3okxB-2pggA:
12.52
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.
2q8h [PYRUVATE
DEHYDROGENASE
[LIPOAMIDE]] KINASE
ISOZYME 1

(Homo sapiens) 		PF02518
(HATPase_c)
PF10436
(BCDHK_Adom3) 		5 LEU A 239
HIS A 275
GLY A 358
SER A 362
LEU A 352
 None
 1.32A 3okxB-2q8hA:
undetectable		 3okxB-2q8hA:
19.40
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.
2ws9 P1

(Equine rhinitis
A virus) 		no annotation 5 LEU 1  72
HIS 1 191
TYR 1 160
THR 1 161
SER 1 162
 None
 1.20A 3okxB-2ws91:
undetectable		 3okxB-2ws91:
22.67
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.
2x3k ACSD

(Dickeya
chrysanthemi) 		PF04183
(IucA_IucC)
PF06276
(FhuF) 		5 LEU A 426
LEU A 445
GLY A 385
THR A 386
LEU A 511
 None
AMP  A1588 (-4.0A)
None
None
None
 1.29A 3okxB-2x3kA:
undetectable		 3okxB-2x3kA:
14.10
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.
2xe5 OUTER MEMBRANE PORIN
C

(Escherichia
coli) 		PF00267
(Porin_1) 		5 LEU A 282
ARG A 284
GLY A 279
SER A 277
LEU A 247
 None
 1.01A 3okxB-2xe5A:
undetectable		 3okxB-2xe5A:
19.87
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.
2yva DNAA
INITIATOR-ASSOCIATIN
G PROTEIN DIAA

(Escherichia
coli) 		PF13580
(SIS_2) 		5 LEU A 113
CYH A  47
HIS A 175
LEU A 150
GLY A 120
 None
 1.31A 3okxB-2yvaA:
undetectable		 3okxB-2yvaA:
24.39
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.
2zoa PHOSPHOHYDROLASE

(Klebsiella
aerogenes) 		PF00149
(Metallophos) 		5 LEU A 162
HIS A 156
GLY A 129
SER A 121
LEU A 160
 None
FE2  A 276 (-3.6A)
None
None
None
 1.33A 3okxB-2zoaA:
undetectable		 3okxB-2zoaA:
23.91
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.
3b0b CENTROMERE PROTEIN S
CENTROMERE PROTEIN X

(Gallus gallus;
Gallus gallus) 		no annotation
PF09415
(CENP-X) 		5 LEU B  12
LEU C  16
ARG C  15
THR B  51
SER B  48
 None
 1.25A 3okxB-3b0bB:
undetectable		 3okxB-3b0bB:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bb8 CDP-4-KETO-6-DEOXY-D
-GLUCOSE-3-DEHYDRASE

(Yersinia
pseudotuberculosis) 		PF01041
(DegT_DnrJ_EryC1) 		5 ARG A 359
PRO A 348
GLY A 412
SER A  37
LEU A 375
 None
 1.29A 3okxB-3bb8A:
undetectable		 3okxB-3bb8A:
16.17
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.
3c8i PUTATIVE MEMBRANE
PROTEIN

(Corynebacterium
diphtheriae) 		PF11580
(DUF3239) 		5 LEU A  49
LEU A 125
GLY A  68
THR A  69
LEU A  34
 None
 1.27A 3okxB-3c8iA:
undetectable		 3okxB-3c8iA:
20.50
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.
3e02 UNCHARACTERIZED
PROTEIN DUF849

(Paraburkholderia
xenovorans) 		PF05853
(BKACE) 		5 LEU A 196
CYH A 172
TYR A 179
LEU A 223
LEU A 181
 None
 1.18A 3okxB-3e02A:
undetectable		 3okxB-3e02A:
20.87
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.
3e02 UNCHARACTERIZED
PROTEIN DUF849

(Paraburkholderia
xenovorans) 		PF05853
(BKACE) 		5 LEU A 196
HIS A 215
TYR A 179
LEU A 223
LEU A 181
 None
 1.33A 3okxB-3e02A:
undetectable		 3okxB-3e02A:
20.87
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.
3fcp L-ALA-D/L-GLU
EPIMERASE, A
MUCONATE LACTONIZING
ENZYME

(Klebsiella
pneumoniae) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 367
ARG A  39
GLY A 309
THR A 310
LEU A 362
 None
 1.21A 3okxB-3fcpA:
undetectable		 3okxB-3fcpA:
18.80
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.
3fj4 MUCONATE
CYCLOISOMERASE

(Pseudomonas
protegens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 369
ARG A  40
GLY A 310
THR A 311
LEU A 364
 None
 1.02A 3okxB-3fj4A:
undetectable		 3okxB-3fj4A:
21.33
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.
3ix6 THYMIDYLATE SYNTHASE

(Brucella
melitensis) 		PF00303
(Thymidylat_synt) 		5 LEU A   8
HIS A 201
LEU A  45
PRO A 175
LEU A   5
 None
 1.34A 3okxB-3ix6A:
undetectable		 3okxB-3ix6A:
19.54
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.
3kba PROGESTERONE
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 782
HIS A 770
LEU A 763
GLY A 764
LEU A 784
 None
None
WOW  A   1 ( 4.0A)
None
None
 1.15A 3okxB-3kbaA:
undetectable		 3okxB-3kbaA:
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.
3m7m 33 KDA CHAPERONIN

(Escherichia
coli) 		PF01430
(HSP33) 		5 LEU X 202
ARG X 213
GLY X 170
SER X  27
LEU X 205
 None
 1.09A 3okxB-3m7mX:
undetectable		 3okxB-3m7mX:
18.83
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.
3moi PROBABLE
DEHYDROGENASE

(Bordetella
bronchiseptica) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 LEU A 369
HIS A 181
PRO A  96
GLY A 121
THR A 122
 None
 1.22A 3okxB-3moiA:
undetectable		 3okxB-3moiA:
18.18
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.
3mw8 UROPORPHYRINOGEN-III
SYNTHASE

(Shewanella
amazonensis) 		PF02602
(HEM4) 		5 LEU A 158
CYH A 155
THR A 178
SER A 179
LEU A 189
 None
None
None
EDO  A 301 (-3.7A)
None
 1.14A 3okxB-3mw8A:
undetectable		 3okxB-3mw8A:
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.
3n9y ADRENODOXIN

(Homo sapiens) 		PF00111
(Fer2) 		5 LEU C  30
GLY C  48
THR C  49
CYH C  55
LEU C  57
 None
FES  C 150 (-4.0A)
None
FES  C 150 (-2.1A)
None
 1.27A 3okxB-3n9yC:
undetectable		 3okxB-3n9yC:
19.43
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.
3naw SECRETED EFFECTOR
PROTEIN

(Escherichia
coli) 		PF00805
(Pentapeptide)
PF13979
(SopA_C)
PF13981
(SopA) 		5 LEU A 744
GLY A 703
THR A 704
CYH A 753
LEU A 757
 None
 0.87A 3okxB-3nawA:
undetectable		 3okxB-3nawA:
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.
3nv9 MALIC ENZYME

(Entamoeba
histolytica) 		PF00390
(malic)
PF03949
(Malic_M) 		5 LEU A 390
ARG A 388
GLY A 406
THR A 407
LEU A 207
 None
 1.23A 3okxB-3nv9A:
undetectable		 3okxB-3nv9A:
15.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3okx YAEB-LIKE PROTEIN
RPA0152

(Rhodopseudomonas
palustris) 		PF01980
(UPF0066) 		10 HIS A  43
TYR A  76
LEU A  78
ARG A  80
PRO A 105
GLY A 112
THR A 113
SER A 114
CYH A 133
LEU A 134
 SAM  A 201 (-4.2A)
None
SAM  A 201 (-4.1A)
None
SAM  A 201 (-3.8A)
SAM  A 201 (-3.6A)
SAM  A 201 (-4.2A)
SAM  A 201 ( 3.9A)
None
SAM  A 201 (-4.2A)
 0.80A 3okxB-3okxA:
23.9		 3okxB-3okxA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3okx YAEB-LIKE PROTEIN
RPA0152

(Rhodopseudomonas
palustris) 		PF01980
(UPF0066) 		11 LEU A  37
CYH A  40
HIS A  43
TYR A  76
LEU A  78
PRO A 105
GLY A 112
THR A 113
SER A 114
CYH A 133
LEU A 134
 SAM  A 201 (-4.5A)
SAM  A 201 (-4.0A)
SAM  A 201 (-4.2A)
None
SAM  A 201 (-4.1A)
SAM  A 201 (-3.8A)
SAM  A 201 (-3.6A)
SAM  A 201 (-4.2A)
SAM  A 201 ( 3.9A)
None
SAM  A 201 (-4.2A)
 0.16A 3okxB-3okxA:
23.9		 3okxB-3okxA:
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.
3olq UNIVERSAL STRESS
PROTEIN E

(Proteus
mirabilis) 		PF00582
(Usp) 		5 LEU A 233
HIS A 169
LEU A 176
GLY A 270
LEU A 195
 None
 1.31A 3okxB-3olqA:
undetectable		 3okxB-3olqA:
19.06
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.
3om5 LEVANSUCRASE

(Bacillus
megaterium) 		PF02435
(Glyco_hydro_68) 		5 LEU A 323
LEU A 387
GLY A 405
THR A 404
LEU A 365
 None
 1.27A 3okxB-3om5A:
undetectable		 3okxB-3om5A:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3op0 SIGNAL TRANSDUCTION
PROTEIN CBL-C

(Homo sapiens) 		PF02262
(Cbl_N)
PF02761
(Cbl_N2)
PF02762
(Cbl_N3) 		5 LEU A 322
HIS A 183
PRO A 220
THR A 215
LEU A 231
 None
CSO  A 182 ( 3.9A)
None
None
None
 1.31A 3okxB-3op0A:
undetectable		 3okxB-3op0A:
17.81
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.
3p0f URIDINE
PHOSPHORYLASE 2

(Homo sapiens) 		PF01048
(PNP_UDP_1) 		5 LEU A 196
GLY A 146
THR A 147
SER A 148
LEU A 304
 None
None
BAU  A 400 (-4.5A)
None
None
 1.30A 3okxB-3p0fA:
undetectable		 3okxB-3p0fA:
20.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p8c NCK-ASSOCIATED
PROTEIN 1

(Homo sapiens) 		PF09735
(Nckap1) 		5 LEU B 596
ARG B 594
THR B 701
CYH B 599
LEU B 598
 GOL  B1132 ( 4.3A)
None
None
None
None
 1.30A 3okxB-3p8cB:
undetectable		 3okxB-3p8cB:
10.91
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.
3pz2 GERANYLGERANYL
TRANSFERASE TYPE-2
SUBUNIT BETA

(Rattus
norvegicus) 		PF00432
(Prenyltrans) 		5 LEU B 298
LEU B 263
ARG B 264
GLY B 228
LEU B 268
 None
 1.26A 3okxB-3pz2B:
undetectable		 3okxB-3pz2B:
18.43
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.
3qr1 PHOSPHOLIPASE C-BETA
(PLC-BETA)

(Doryteuthis
pealeii) 		PF00168
(C2)
PF00387
(PI-PLC-Y)
PF00388
(PI-PLC-X)
PF09279
(EF-hand_like) 		5 LEU A  29
GLY A  91
THR A  92
CYH A 105
LEU A 122
 None
 1.24A 3okxB-3qr1A:
undetectable		 3okxB-3qr1A:
11.43
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.
3rd7 ACYL-COA
THIOESTERASE

(Mycobacterium
avium) 		PF13622
(4HBT_3) 		5 LEU A 191
CYH A 195
LEU A  14
GLY A  24
THR A  25
 None
 1.24A 3okxB-3rd7A:
undetectable		 3okxB-3rd7A:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rks HYDROXYNITRILASE

(Manihot
esculenta) 		PF00561
(Abhydrolase_1) 		5 LEU A 106
HIS A  14
GLY A 177
SER A  41
LEU A  84
 None
 0.95A 3okxB-3rksA:
undetectable		 3okxB-3rksA:
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.
3rks HYDROXYNITRILASE

(Manihot
esculenta) 		PF00561
(Abhydrolase_1) 		5 LEU A 106
HIS A  14
TYR A  57
SER A  41
LEU A  84
 None
 1.33A 3okxB-3rksA:
undetectable		 3okxB-3rksA:
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.
3sma FRBF

(Streptomyces
rubellomurinus) 		PF02522
(Antibiotic_NAT) 		5 LEU A 181
ARG A 250
THR A 190
SER A 191
LEU A 242
 None
None
ACO  A 300 (-3.7A)
None
None
 1.29A 3okxB-3smaA:
undetectable		 3okxB-3smaA:
23.57
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.
3stt METHYLKETONE
SYNTHASE I

(Solanum
habrochaites) 		PF12697
(Abhydrolase_6) 		5 LEU A 113
HIS A  21
TYR A  64
SER A  48
LEU A  91
 None
 1.22A 3okxB-3sttA:
undetectable		 3okxB-3sttA:
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.
3swo GLUTARYL-COA
DEHYDROGENASE

(Mycolicibacterium
smegmatis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 LEU A  43
LEU A  67
ARG A  42
GLY A  68
LEU A  60
 None
 1.25A 3okxB-3swoA:
undetectable		 3okxB-3swoA:
17.79
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.
3ua4 PROTEIN ARGININE
N-METHYLTRANSFERASE
5

(Caenorhabditis
elegans) 		PF05185
(PRMT5)
PF17285
(PRMT5_TIM)
PF17286
(PRMT5_C) 		5 LEU A 413
LEU A 521
PRO A 493
THR A 524
LEU A 514
 None
 1.33A 3okxB-3ua4A:
undetectable		 3okxB-3ua4A:
14.17
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.
3uit INAD-LIKE PROTEIN,
MAGUK P55 SUBFAMILY
MEMBER 5, PROTEIN
LIN-7 HOMOLOG B

(Homo sapiens;
Mus musculus;
Rattus
norvegicus) 		PF02828
(L27)
PF09045
(L27_2)
PF09060
(L27_N) 		5 LEU A  85
HIS A  91
LEU A  35
THR A  29
LEU A  80
 None
 1.25A 3okxB-3uitA:
undetectable		 3okxB-3uitA:
23.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ujk PROTEIN PHOSPHATASE
2C 77

(Arabidopsis
thaliana) 		PF00481
(PP2C) 		5 LEU A 182
TYR A 164
GLY A 162
SER A 234
CYH A 176
 None
 1.33A 3okxB-3ujkA:
undetectable		 3okxB-3ujkA:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vrb IRON-SULFUR SUBUNIT
OF SUCCINATE
DEHYDROGENASE

(Ascaris suum) 		PF13085
(Fer2_3)
PF13534
(Fer4_17) 		5 LEU B 266
TYR B 202
LEU B 208
GLY B 204
SER B 194
 None
None
None
None
F3S  B 303 (-4.4A)
 1.34A 3okxB-3vrbB:
undetectable		 3okxB-3vrbB:
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.
3wvr PGM1

(Streptomyces
cirratus) 		no annotation 5 LEU A 362
ARG A 272
GLY A 356
THR A 357
LEU A 419
 None
 1.16A 3okxB-3wvrA:
undetectable		 3okxB-3wvrA:
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.
4b9p TYPE 3A
CELLULOSE-BINDING
DOMAIN PROTEIN

(Ruminiclostridium
thermocellum) 		PF00942
(CBM_3) 		6 LEU A 117
TYR A  48
LEU A  23
ARG A 110
THR A  49
SER A  86
 None
None
None
None
CA  A1167 (-3.6A)
None
 1.48A 3okxB-4b9pA:
undetectable		 3okxB-4b9pA:
17.42
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.
4c90 ALPHA-GLUCURONIDASE
GH115

(Bacteroides
ovatus) 		PF15979
(Glyco_hydro_115) 		5 LEU A 623
LEU A 585
ARG A 619
GLY A 527
THR A 526
 None
 1.30A 3okxB-4c90A:
undetectable		 3okxB-4c90A:
11.98
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.
4ci0 F420-REDUCING
HYDROGENASE, SUBUNIT
BETA

(Methanothermobacter
marburgensis) 		PF04422
(FrhB_FdhB_N)
PF04432
(FrhB_FdhB_C) 		5 LEU C 253
TYR C 133
GLY C 208
THR C 207
LEU C 257
 None
None
FAD  C1283 (-3.6A)
FAD  C1283 (-4.6A)
None
 1.19A 3okxB-4ci0C:
undetectable		 3okxB-4ci0C:
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.
4ci0 F420-REDUCING
HYDROGENASE, SUBUNIT
BETA

(Methanothermobacter
marburgensis) 		PF04422
(FrhB_FdhB_N)
PF04432
(FrhB_FdhB_C) 		5 LEU C 253
TYR C 133
GLY C 208
THR C 207
SER C 206
 None
None
FAD  C1283 (-3.6A)
FAD  C1283 (-4.6A)
None
 1.26A 3okxB-4ci0C:
undetectable		 3okxB-4ci0C:
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.
4czp EXTRALONG MANGANESE
PEROXIDASE

(Gelatoporia
subvermispora) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		5 LEU A 228
PRO A 227
GLY A 229
THR A 231
SER A 232
 None
 1.33A 3okxB-4czpA:
undetectable		 3okxB-4czpA:
19.51
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.
4d74 PROTEIN-TYROSINE-PHO
SPHATASE AMSI

(Erwinia
amylovora) 		PF01451
(LMWPc) 		5 LEU A  68
HIS A  63
GLY A  19
THR A  18
CYH A   9
 None
None
None
None
SO4  A1145 (-3.2A)
 1.33A 3okxB-4d74A:
undetectable		 3okxB-4d74A:
23.78
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.
4eel BETA-PHOSPHOGLUCOMUT
ASE-RELATED PROTEIN

(Deinococcus
radiodurans) 		PF13419
(HAD_2) 		5 TYR A 152
LEU A 151
ARG A 144
PRO A 138
GLY A 110
 None
 1.33A 3okxB-4eelA:
undetectable		 3okxB-4eelA:
21.84
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.
4gh4 CAPSID PROTEIN VP1
CAPSID PROTEIN VP2

(Foot-and-mouth
disease virus;
Foot-and-mouth
disease virus) 		PF00073
(Rhv)
PF00073
(Rhv) 		5 LEU B 163
TYR A 130
PRO B 176
GLY A 132
THR A 133
 None
 1.07A 3okxB-4gh4B:
undetectable		 3okxB-4gh4B:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4grh AMINODEOXYCHORISMATE
SYNTHASE

(Stenotrophomonas
maltophilia) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		5 LEU A 117
PRO A 362
GLY A 364
THR A 365
CYH A 374
 None
None
None
15P  A 504 (-3.9A)
None
 0.89A 3okxB-4grhA:
undetectable		 3okxB-4grhA:
20.13
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.
4grv NEUROTENSIN RECEPTOR
TYPE 1, LYSOZYME
CHIMERA

(Rattus
norvegicus;
Escherichia
virus T4) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 LEU A 119
CYH A 152
LEU A 117
SER A 361
LEU A 115
 None
 1.27A 3okxB-4grvA:
undetectable		 3okxB-4grvA:
17.44
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.
4gua NON-STRUCTURAL
POLYPROTEIN

(Sindbis virus) 		PF01661
(Macro)
PF01707
(Peptidase_C9) 		5 CYH A1474
PRO A1418
GLY A1400
THR A1401
LEU A1658
 None
 1.23A 3okxB-4guaA:
undetectable		 3okxB-4guaA:
12.89
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.
4hvm TLMII

(Streptoalloteichus
hindustanus) 		PF00668
(Condensation) 		5 LEU A  63
HIS A 122
LEU A 151
GLY A  37
LEU A 142
 None
 1.25A 3okxB-4hvmA:
undetectable		 3okxB-4hvmA:
18.35
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.
4it1 PUTATIVE GLUCARATE
DEHYDRATASE

(Pseudomonas
fluorescens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A  73
HIS A 294
GLY A  46
SER A  48
LEU A  76
 None
 1.25A 3okxB-4it1A:
undetectable		 3okxB-4it1A:
17.41
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.
4j1y COMPLEMENT C1S
SUBCOMPONENT

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin) 		5 TYR A 665
LEU A 587
ARG A 586
GLY A 663
LEU A 566
 None
 1.11A 3okxB-4j1yA:
0.7		 3okxB-4j1yA:
20.95
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.
4lan URACIL-5-CARBOXYLATE
DECARBOXYLASE

(Cordyceps
militaris) 		PF04909
(Amidohydro_2) 		5 LEU A 104
HIS A 197
TYR A  16
LEU A  24
PRO A  31
 None
 1.01A 3okxB-4lanA:
undetectable		 3okxB-4lanA:
19.35
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.
4p1b TOLUENE-4-MONOOXYGEN
ASE SYSTEM
FERREDOXIN SUBUNIT

(Pseudomonas
mendocina) 		PF00355
(Rieske) 		5 LEU H  86
HIS H  36
TYR H  57
GLY H  60
LEU H  52
 None
 1.27A 3okxB-4p1bH:
undetectable		 3okxB-4p1bH:
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.
4p62 METALLO-BETA-LACTAMA
SE AIM-1

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		5 LEU A 285
HIS A 104
ARG A 232
THR A 187
SER A 188
 None
ZN  A 301 (-3.2A)
None
None
None
 1.34A 3okxB-4p62A:
undetectable		 3okxB-4p62A:
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.
4pw5 E3 UBIQUITIN-PROTEIN
LIGASE UHRF2

(Homo sapiens) 		PF02182
(SAD_SRA) 		5 LEU A 545
ARG A 535
GLY A 509
THR A 508
LEU A 539
 None
 1.29A 3okxB-4pw5A:
1.8		 3okxB-4pw5A:
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.
4rg1 C9ORF114

(Homo sapiens) 		PF02598
(Methyltrn_RNA_3) 		5 LEU A 327
TYR A 339
GLY A 288
THR A 289
SER A 290
 None
None
None
SAH  A 401 (-3.8A)
SAH  A 401 (-4.6A)
 0.95A 3okxB-4rg1A:
undetectable		 3okxB-4rg1A:
21.27
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.
4v2d FIBRONECTIN LEUCINE
RICH TRANSMEMBRANE
PROTEIN 2

(Homo sapiens) 		PF01463
(LRRCT)
PF13855
(LRR_8) 		5 LEU A 281
LEU A 275
GLY A 251
THR A 252
LEU A 302
 None
 1.03A 3okxB-4v2dA:
undetectable		 3okxB-4v2dA:
21.56
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.
4x28 ACYL-COA
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 LEU A  77
LEU A 299
PRO A 254
GLY A 330
THR A 331
 None
 1.34A 3okxB-4x28A:
undetectable		 3okxB-4x28A:
17.75
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.
4yer ABC TRANSPORTER
ATP-BINDING PROTEIN

(Thermotoga
maritima) 		PF00005
(ABC_tran)
PF13732
(DUF4162) 		5 CYH A 251
HIS A 300
TYR A 233
LEU A 254
LEU A 259
 None
 1.24A 3okxB-4yerA:
undetectable		 3okxB-4yerA:
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.
5aff SYMPORTIN 1

(Chaetomium
thermophilum) 		no annotation 5 CYH A 273
HIS A 254
LEU A 417
ARG A 415
THR A 317
 None
 1.20A 3okxB-5affA:
undetectable		 3okxB-5affA:
14.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aff SYMPORTIN 1

(Chaetomium
thermophilum) 		no annotation 5 CYH A 273
LEU A 417
ARG A 415
GLY A 316
THR A 317
 None
 1.03A 3okxB-5affA:
undetectable		 3okxB-5affA:
14.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bnc HEME BINDING PROTEIN
MSMEG_6519

(Mycolicibacterium
smegmatis) 		PF10615
(DUF2470)
PF13883
(Pyrid_oxidase_2) 		5 LEU A 191
CYH A 217
LEU A 259
GLY A 241
LEU A 199
 None
 1.30A 3okxB-5bncA:
1.5		 3okxB-5bncA:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c41 RIBOKINASE

(Homo sapiens) 		PF00294
(PfkB) 		5 LEU A 206
CYH A 198
ARG A 227
THR A 174
LEU A 224
 None
 1.31A 3okxB-5c41A:
undetectable		 3okxB-5c41A:
17.27
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.
5d6n ACYL-COA SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00501
(AMP-binding) 		5 TYR A 186
LEU A 184
GLY A 196
THR A 195
CYH A 126
 None
 1.19A 3okxB-5d6nA:
undetectable		 3okxB-5d6nA:
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.
5dh2 SIDEROPHORE
PERIPLASMIC BINDING
PROTEIN

(Thermobifida
fusca) 		PF01497
(Peripla_BP_2) 		5 LEU A 203
ARG A 205
GLY A 103
THR A 104
LEU A 201
 None
 1.29A 3okxB-5dh2A:
undetectable		 3okxB-5dh2A:
19.73
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.
5dt9 ERYTHRONATE-4-PHOSPH
ATE DEHYDROGENASE

(Vibrio cholerae) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C)
PF11890
(DUF3410) 		5 LEU A 285
CYH A 282
GLY A  70
THR A  71
LEU A  25
 None
 1.34A 3okxB-5dt9A:
undetectable		 3okxB-5dt9A:
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.
5fsh CSM6

(Thermus
thermophilus) 		PF09670
(Cas_Cas02710) 		5 LEU A  33
ARG A  38
GLY A 177
THR A 178
LEU A  69
 None
 1.20A 3okxB-5fshA:
undetectable		 3okxB-5fshA:
17.66
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.
5gsm EXO-BETA-D-GLUCOSAMI
NIDASE

(Thermococcus
kodakarensis) 		PF02449
(Glyco_hydro_42) 		5 LEU A  40
ARG A  43
GLY A  23
THR A  24
LEU A  88
 None
 1.33A 3okxB-5gsmA:
undetectable		 3okxB-5gsmA:
12.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hcc COMPLEMENT C5

(Homo sapiens) 		PF00207
(A2M)
PF01759
(NTR)
PF01821
(ANATO)
PF07677
(A2M_recep)
PF07678
(A2M_comp) 		5 LEU A1255
ARG A1226
GLY A1296
THR A1298
SER A1301
 None
 1.24A 3okxB-5hccA:
undetectable		 3okxB-5hccA:
10.07
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.
5hdt SISTER CHROMATID
COHESION PROTEIN
PDS5 HOMOLOG B

(Homo sapiens) 		no annotation 5 LEU A 836
ARG A 834
GLY A 847
THR A 848
SER A 849
 None
IHP  A1201 (-3.7A)
None
None
None
 1.30A 3okxB-5hdtA:
undetectable		 3okxB-5hdtA:
9.57
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.
5iz1 FRUCTOSE-1,6-BISPHOS
PHATASE

(Physcomitrella
patens) 		PF00316
(FBPase) 		5 TYR A 260
LEU A 199
PRO A 198
GLY A 212
LEU A 126
 None
 1.15A 3okxB-5iz1A:
undetectable		 3okxB-5iz1A:
17.88
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.
5lf9 NUCLEOSIDE
DIPHOSPHATE-LINKED
MOIETY X MOTIF 22

(Homo sapiens) 		no annotation 5 LEU A 197
CYH A 192
PRO A 153
GLY A 124
LEU A 202
 None
 1.31A 3okxB-5lf9A:
undetectable		 3okxB-5lf9A:
20.13
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.
5m86 TA1207

(Thermoplasma
acidophilum) 		no annotation 5 TYR A 273
LEU A  41
PRO A  42
SER A 264
LEU A 275
 None
None
None
None
GOL  A 403 ( 4.6A)
 1.27A 3okxB-5m86A:
undetectable		 3okxB-5m86A:
18.02
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.
5t8v PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		PF12765
(Cohesin_HEAT)
PF12830
(Nipped-B_C) 		5 LEU A1059
LEU A1001
GLY A 841
THR A 842
LEU A1017
 None
 1.31A 3okxB-5t8vA:
undetectable		 3okxB-5t8vA:
7.91
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.
5tdx ANCESTRAL
HYDROXYNITRILE LYASE
1

(synthetic
construct) 		no annotation 5 LEU A 106
HIS A  14
GLY A 176
SER A  41
LEU A  84
 None
GOL  A 300 ( 4.6A)
None
None
None
 0.94A 3okxB-5tdxA:
undetectable		 3okxB-5tdxA:
19.70
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.
5tdx ANCESTRAL
HYDROXYNITRILE LYASE
1

(synthetic
construct) 		no annotation 5 LEU A 106
HIS A  14
TYR A  57
SER A  41
LEU A  84
 None
GOL  A 300 ( 4.6A)
None
None
None
 1.21A 3okxB-5tdxA:
undetectable		 3okxB-5tdxA:
19.70
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.
5wgc DAUNORUBICIN-DOXORUB
ICIN POLYKETIDE
SYNTHASE

(Streptomyces
peucetius) 		no annotation 5 LEU A  30
LEU A  39
ARG A  37
GLY A 162
THR A 163
 None
None
None
None
AFY  A 401 (-3.4A)
 1.17A 3okxB-5wgcA:
undetectable		 3okxB-5wgcA:
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.
5wqw N-ACETYLGLUCOSAMINID
ASE

(Clostridium
perfringens) 		PF01832
(Glucosaminidase) 		5 LEU A 965
LEU A 944
GLY A 976
THR A 977
SER A 978
 None
 1.16A 3okxB-5wqwA:
undetectable		 3okxB-5wqwA:
16.55
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.
6bng 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE

(Acinetobacter
baumannii) 		no annotation 5 TYR A  45
LEU A  25
GLY A  27
SER A 242
LEU A  52
 None
 1.10A 3okxB-6bngA:
undetectable		 3okxB-6bngA:
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.
6ckc METHYLOSOME PROTEIN
50

(Homo sapiens) 		no annotation 5 LEU B 287
LEU B 261
GLY B 260
THR B 259
SER B 275
 None
 1.24A 3okxB-6ckcB:
undetectable		 3okxB-6ckcB:
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.
6ez8 HUNTINGTIN

(Homo sapiens) 		no annotation 5 LEU A 807
ARG A 808
GLY A 769
THR A 770
LEU A 841
 None
 1.31A 3okxB-6ez8A:
undetectable		 3okxB-6ez8A:
undetectable