SIMILAR PATTERNS OF AMINO ACIDS FOR 4WAN_C_ACTC303

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.
1de6 L-RHAMNOSE ISOMERASE

(Escherichia
coli) 		PF06134
(RhaA) 		3 ASP A 196
ARG A 211
PRO A 208
 None
 0.94A 4wanC-1de6A:
0.0		 4wanC-1de6A:
15.83
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.
1e6w SHORT CHAIN
3-HYDROXYACYL-COA
DEHYDROGENASE

(Rattus
norvegicus) 		PF00106
(adh_short) 		3 ASP A 142
ARG A 192
PRO A 244
 None
 0.91A 4wanC-1e6wA:
0.0		 4wanC-1e6wA:
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.
1im9 KILLER CELL
IMMUNOGLOBULIN-LIKE
RECEPTOR 2DL1

(Homo sapiens) 		PF00047
(ig) 		3 ASP D  98
ARG D  78
PRO D  96
 None
 1.00A 4wanC-1im9D:
undetectable		 4wanC-1im9D:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mty METHANE
MONOOXYGENASE
HYDROXYLASE
METHANE
MONOOXYGENASE
HYDROXYLASE

(Methylococcus
capsulatus;
Methylococcus
capsulatus) 		PF02332
(Phenol_Hydrox)
PF02964
(MeMO_Hyd_G) 		3 ASP B  71
ARG G 115
PRO B  81
 None
 1.02A 4wanC-1mtyB:
undetectable		 4wanC-1mtyB:
14.52
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.
1so8 3-HYDROXYACYL-COA
DEHYDROGENASE TYPE
II

(Homo sapiens) 		PF00106
(adh_short) 		3 ASP A 142
ARG A 192
PRO A 244
 None
 0.87A 4wanC-1so8A:
undetectable		 4wanC-1so8A:
18.99
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.
1tol PROTEIN (FUSION
PROTEIN CONSISTING
OF MINOR COAT
PROTEIN, GLYCINE
RICH LINKER, TOLA,
AND A HIS TAG)

(Escherichia
coli;
Escherichia
virus M13) 		PF05357
(Phage_Coat_A)
PF06519
(TolA) 		3 ASP A 210
ARG A 158
PRO A 208
 None
 0.86A 4wanC-1tolA:
0.0		 4wanC-1tolA:
18.87
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.
1uay TYPE II
3-HYDROXYACYL-COA
DEHYDROGENASE

(Thermus
thermophilus) 		PF00106
(adh_short) 		3 ASP A 122
ARG A 172
PRO A 224
 None
 0.81A 4wanC-1uayA:
undetectable		 4wanC-1uayA:
20.08
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.
1v9d DIAPHANOUS PROTEIN
HOMOLOG 1

(Mus musculus) 		PF02181
(FH2) 		3 ASP A1064
ARG A 919
PRO A 914
 None
None
SO4  A1164 (-4.9A)
 1.02A 4wanC-1v9dA:
undetectable		 4wanC-1v9dA:
16.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vzy 33 KDA CHAPERONIN

(Bacillus
subtilis) 		PF01430
(HSP33) 		3 ASP A  78
ARG A 241
PRO A 236
 None
 1.03A 4wanC-1vzyA:
0.0		 4wanC-1vzyA:
18.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zbo HYPOTHETICAL PROTEIN
BPP1347

(Bordetella
parapertussis) 		PF02190
(LON_substr_bdg) 		3 ASP A 158
ARG A 188
PRO A 185
 None
 0.86A 4wanC-1zboA:
undetectable		 4wanC-1zboA:
21.54
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.
2ahw PUTATIVE ENZYME YDIF

(Escherichia
coli) 		PF01144
(CoA_trans) 		3 ASP A  73
ARG A 101
PRO A 100
 None
 0.85A 4wanC-2ahwA:
undetectable		 4wanC-2ahwA:
14.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ejb PROBABLE AROMATIC
ACID DECARBOXYLASE

(Aquifex
aeolicus) 		PF02441
(Flavoprotein) 		3 ASP A  32
ARG A  78
PRO A  72
 None
 0.93A 4wanC-2ejbA:
undetectable		 4wanC-2ejbA:
19.49
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.
2fez PROBABLE REGULATORY
PROTEIN EMBR

(Mycobacterium
tuberculosis) 		PF00486
(Trans_reg_C)
PF00498
(FHA)
PF03704
(BTAD) 		3 ASP A 155
ARG A  36
PRO A  33
 None
 0.69A 4wanC-2fezA:
undetectable		 4wanC-2fezA:
17.98
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.
2h8x XENOBIOTIC REDUCTASE
A

(Pseudomonas
putida) 		PF00724
(Oxidored_FMN) 		3 ASP A 123
ARG A 111
PRO A  68
 None
SO4  A1506 (-2.9A)
SO4  A1506 ( 4.7A)
 0.83A 4wanC-2h8xA:
undetectable		 4wanC-2h8xA:
14.41
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.
2hak SERINE/THREONINE-PRO
TEIN KINASE MARK1

(Homo sapiens) 		PF00069
(Pkinase)
PF00627
(UBA) 		3 ASP A 227
ARG A 292
PRO A 289
 None
 0.60A 4wanC-2hakA:
undetectable		 4wanC-2hakA:
16.00
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.
2hi8 SULFATASE-MODIFYING
FACTOR 1

(Homo sapiens) 		PF03781
(FGE-sulfatase) 		3 ASP X 304
ARG X 224
PRO X 226
 None
 0.99A 4wanC-2hi8X:
undetectable		 4wanC-2hi8X:
18.15
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.
2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT

(Aromatoleum
aromaticum) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		3 ASP A 800
ARG A 439
PRO A 474
 None
 0.89A 4wanC-2ivfA:
undetectable		 4wanC-2ivfA:
8.68
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.
2ji9 OXALYL-COA
DECARBOXYLASE

(Oxalobacter
formigenes) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		3 ASP A 393
ARG A 417
PRO A 416
 None
 1.07A 4wanC-2ji9A:
undetectable		 4wanC-2ji9A:
14.08
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.
2o0r RV0858C
(N-SUCCINYLDIAMINOPI
MELATE
AMINOTRANSFERASE)

(Mycobacterium
tuberculosis) 		PF00155
(Aminotran_1_2) 		3 ASP A 278
ARG A  68
PRO A  65
 None
 1.08A 4wanC-2o0rA:
undetectable		 4wanC-2o0rA:
15.06
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.
2o3e NEUROLYSIN

(Rattus
norvegicus) 		PF01432
(Peptidase_M3) 		3 ASP A 330
ARG A 238
PRO A 235
 None
 0.98A 4wanC-2o3eA:
undetectable		 4wanC-2o3eA:
11.08
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.
2p6p GLYCOSYL TRANSFERASE

(Streptomyces
fradiae) 		PF06722
(DUF1205) 		3 ASP A 137
ARG A 317
PRO A 314
 GOL  A1005 ( 4.6A)
None
None
 0.94A 4wanC-2p6pA:
undetectable		 4wanC-2p6pA:
14.77
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.
2q17 FORMYLGLYCINE
GENERATING ENZYME

(Streptomyces
coelicolor) 		PF03781
(FGE-sulfatase) 		3 ASP A 239
ARG A 159
PRO A 161
 None
 1.00A 4wanC-2q17A:
undetectable		 4wanC-2q17A:
17.04
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.
2reu TYPE II RESTRICTION
ENZYME SAU3AI

(Staphylococcus
aureus) 		no annotation 3 ASP A 195
ARG A 156
PRO A 153
 None
 1.01A 4wanC-2reuA:
undetectable		 4wanC-2reuA:
17.12
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.
2x9a MEMBRANE SPANNING
PROTEIN, REQUIRED
FOR OUTER MEMBRANE
INTEGRITY

(Escherichia
coli) 		PF06519
(TolA) 		3 ASP B 417
ARG B 365
PRO B 415
 None
 1.03A 4wanC-2x9aB:
undetectable		 4wanC-2x9aB:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xik SERINE/THREONINE
PROTEIN KINASE 25

(Homo sapiens) 		PF00069
(Pkinase) 		3 ASP A 193
ARG A 258
PRO A 255
 None
 1.00A 4wanC-2xikA:
undetectable		 4wanC-2xikA:
19.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xws SIROHYDROCHLORIN
COBALTOCHELATASE

(Archaeoglobus
fulgidus) 		PF01903
(CbiX) 		3 ASP A  51
ARG A  47
PRO A  48
 None
 1.02A 4wanC-2xwsA:
undetectable		 4wanC-2xwsA:
20.78
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.
2y3c TREPONEMA DENTICOLA
VARIABLE PROTEIN 1

(Treponema
denticola) 		PF03781
(FGE-sulfatase) 		3 ASP A 266
ARG A 198
PRO A 200
 None
 1.03A 4wanC-2y3cA:
undetectable		 4wanC-2y3cA:
17.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a1i AMIDASE

(Rhodococcus sp.
N-771) 		PF01425
(Amidase) 		3 ASP A 183
ARG A 164
PRO A  70
 None
 0.90A 4wanC-3a1iA:
undetectable		 4wanC-3a1iA:
15.57
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.
3apo DNAJ HOMOLOG
SUBFAMILY C MEMBER
10

(Mus musculus) 		PF00085
(Thioredoxin)
PF00226
(DnaJ) 		3 ASP A 442
ARG A 491
PRO A 488
 None
 1.01A 4wanC-3apoA:
undetectable		 4wanC-3apoA:
10.44
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.
3be8 NEUROLIGIN-4,
X-LINKED

(Homo sapiens) 		PF00135
(COesterase) 		3 ASP A 385
ARG A 436
PRO A 433
 None
 0.83A 4wanC-3be8A:
undetectable		 4wanC-3be8A:
12.16
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.
3beo UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Bacillus
anthracis) 		PF02350
(Epimerase_2) 		3 ASP A 100
ARG A 304
PRO A 133
 None
 1.03A 4wanC-3beoA:
undetectable		 4wanC-3beoA:
14.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3biw NEUROLIGIN-1

(Rattus
norvegicus) 		PF00135
(COesterase) 		3 ASP A 421
ARG A 472
PRO A 469
 None
 0.78A 4wanC-3biwA:
undetectable		 4wanC-3biwA:
11.87
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.
3dak SERINE/THREONINE-PRO
TEIN KINASE OSR1

(Homo sapiens) 		PF00069
(Pkinase) 		3 ASP A 205
ARG A 279
PRO A 276
 None
 0.99A 4wanC-3dakA:
0.7		 4wanC-3dakA:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dxn CALMODULIN-LIKE
DOMAIN PROTEIN
KINASE ISOFORM 3

(Toxoplasma
gondii) 		PF00069
(Pkinase) 		3 ASP A 200
ARG A 268
PRO A 265
 None
 1.00A 4wanC-3dxnA:
undetectable		 4wanC-3dxnA:
19.72
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.
3fdg DIPEPTIDASE AC.
METALLO PEPTIDASE.
MEROPS FAMILY M19

(Rhodobacter
sphaeroides) 		PF01244
(Peptidase_M19) 		3 ASP A 271
ARG A 285
PRO A 282
 None
 1.08A 4wanC-3fdgA:
undetectable		 4wanC-3fdgA:
19.64
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.
3h8n KILLER CELL
IMMUNOGLOBULIN-LIKE
RECEPTOR 2DS4

(Homo sapiens) 		PF00047
(ig) 		3 ASP A  98
ARG A  78
PRO A  96
 None
 1.06A 4wanC-3h8nA:
undetectable		 4wanC-3h8nA:
23.98
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.
3hzt CALCIUM-DEPENDENT
PROTEIN KINASE 3

(Toxoplasma
gondii) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		3 ASP A 253
ARG A 321
PRO A 318
 GOL  A 543 (-3.5A)
None
None
 1.08A 4wanC-3hztA:
undetectable		 4wanC-3hztA:
15.16
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.
3ih6 PUTATIVE ZINC
PROTEASE

(Bordetella
pertussis) 		PF05193
(Peptidase_M16_C) 		3 ASP A 426
ARG A 418
PRO A 293
 None
 0.93A 4wanC-3ih6A:
3.0		 4wanC-3ih6A:
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.
3jb9 PRE-MRNA-PROCESSING
PROTEIN 45
PRE-MRNA-SPLICING
FACTOR CWF4

(Schizosaccharomyces
pombe;
Schizosaccharomyces
pombe) 		PF02731
(SKIP_SNW)
PF02184
(HAT) 		3 ASP R 170
ARG R 136
PRO M 237
 None
 0.89A 4wanC-3jb9R:
undetectable		 4wanC-3jb9R:
15.54
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.
3k1d 1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME

(Mycobacterium
tuberculosis) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		3 ASP A 367
ARG A 356
PRO A 361
 None
 0.82A 4wanC-3k1dA:
undetectable		 4wanC-3k1dA:
10.56
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.
3k8k ALPHA-AMYLASE, SUSG

(Bacteroides
thetaiotaomicron) 		PF00128
(Alpha-amylase) 		3 ASP A 425
ARG A 485
PRO A 447
 None
 0.98A 4wanC-3k8kA:
undetectable		 4wanC-3k8kA:
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.
3koy D-ORNITHINE
AMINOMUTASE E
COMPONENT

(Acetoanaerobium
sticklandii) 		PF02310
(B12-binding)
PF09043
(Lys-AminoMut_A)
PF16554
(OAM_dimer) 		3 ASP A  71
ARG A  35
PRO A  74
 None
 1.02A 4wanC-3koyA:
undetectable		 4wanC-3koyA:
10.59
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.
3kyz SENSOR PROTEIN PFES

(Pseudomonas
aeruginosa) 		PF16750
(HK_sensor) 		3 ASP A 111
ARG A 108
PRO A 113
 None
 1.07A 4wanC-3kyzA:
undetectable		 4wanC-3kyzA:
24.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l7z PROBABLE EXOSOME
COMPLEX EXONUCLEASE
2
PROBABLE EXOSOME
COMPLEX EXONUCLEASE
1

(Sulfolobus
solfataricus;
Sulfolobus
solfataricus) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		3 ASP A 104
ARG B 105
PRO A   5
 None
 0.97A 4wanC-3l7zA:
undetectable		 4wanC-3l7zA:
18.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lvv GLUTAMATE--CYSTEINE
LIGASE

(Saccharomyces
cerevisiae) 		PF03074
(GCS) 		3 ASP A 366
ARG A 324
PRO A 358
 None
 0.88A 4wanC-3lvvA:
3.6		 4wanC-3lvvA:
11.11
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.
3mvg RIBOSOME
INACTIVATING TYPE 1
PROTEIN

(Iris x
hollandica) 		PF00161
(RIP) 		3 ASP A  48
ARG A 249
PRO A  40
 None
None
SO4  A 276 (-4.1A)
 1.00A 4wanC-3mvgA:
undetectable		 4wanC-3mvgA:
20.07
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.
3nwr A RUBISCO-LIKE
PROTEIN

(Paraburkholderia
fungorum) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		3 ASP A 389
ARG A 422
PRO A 419
 None
 0.70A 4wanC-3nwrA:
undetectable		 4wanC-3nwrA:
14.32
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.
3obv PROTEIN DIAPHANOUS
HOMOLOG 1

(Mus musculus) 		PF02181
(FH2)
PF06345
(Drf_DAD) 		3 ASP E1064
ARG E 919
PRO E 914
 None
 1.08A 4wanC-3obvE:
undetectable		 4wanC-3obvE:
14.76
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.
3oh8 NUCLEOSIDE-DIPHOSPHA
TE SUGAR EPIMERASE
(SULA FAMILY)

(Corynebacterium
glutamicum) 		PF01370
(Epimerase)
PF08338
(DUF1731) 		3 ASP A 343
ARG A 311
PRO A  32
 None
 0.87A 4wanC-3oh8A:
undetectable		 4wanC-3oh8A:
14.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3owt DNA-BINDING PROTEIN
RAP1

(Saccharomyces
cerevisiae) 		PF11626
(Rap1_C) 		3 ASP A 684
ARG A 814
PRO A 784
 None
 1.06A 4wanC-3owtA:
undetectable		 4wanC-3owtA:
24.70
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.
3pp8 GLYOXYLATE/HYDROXYPY
RUVATE REDUCTASE A

(Salmonella
enterica) 		PF02826
(2-Hacid_dh_C) 		3 ASP A 241
ARG A 266
PRO A 263
 None
 1.00A 4wanC-3pp8A:
undetectable		 4wanC-3pp8A:
16.30
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.
3qvo NMRA FAMILY PROTEIN

(Shigella
flexneri) 		PF13460
(NAD_binding_10) 		3 ASP A  78
ARG A 131
PRO A 128
 None
 0.95A 4wanC-3qvoA:
undetectable		 4wanC-3qvoA:
20.17
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.
3t4j HISTIDINE KINASE 4

(Arabidopsis
thaliana) 		PF03924
(CHASE) 		3 ASP A 227
ARG A 235
PRO A 233
 None
 1.03A 4wanC-3t4jA:
undetectable		 4wanC-3t4jA:
17.96
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.
3tav METHIONINE
AMINOPEPTIDASE

(Mycobacteroides
abscessus) 		PF00557
(Peptidase_M24) 		3 ASP A  50
ARG A  58
PRO A  64
 None
 1.00A 4wanC-3tavA:
undetectable		 4wanC-3tavA:
18.66
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.
3ulz BRASSINOSTEROID
INSENSITIVE
1-ASSOCIATED
RECEPTOR KINASE 1

(Arabidopsis
thaliana) 		PF00069
(Pkinase) 		3 ASP A 523
ARG A 378
PRO A 384
 None
 0.95A 4wanC-3ulzA:
undetectable		 4wanC-3ulzA:
16.52
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.
4bhh NUCLEOPROTEIN

(California
encephalitis
orthobunyavirus) 		PF00952
(Bunya_nucleocap) 		3 ASP B   3
ARG B  81
PRO B  78
 None
U  R  17 ( 4.1A)
None
 1.00A 4wanC-4bhhB:
undetectable		 4wanC-4bhhB:
20.51
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.
4c02 ACTIVIN RECEPTOR
TYPE-1

(Homo sapiens) 		PF00069
(Pkinase)
PF08515
(TGF_beta_GS) 		3 ASP A 397
ARG A 485
PRO A 482
 EDO  A1509 (-3.7A)
None
EDO  A1509 (-4.0A)
 0.98A 4wanC-4c02A:
undetectable		 4wanC-4c02A:
19.24
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.
4c6o CAD PROTEIN

(Homo sapiens) 		PF01979
(Amidohydro_1) 		3 ASP A1484
ARG A1528
PRO A1803
 None
 0.88A 4wanC-4c6oA:
undetectable		 4wanC-4c6oA:
15.42
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.
4cw5 DFNA

(Bacillus
velezensis) 		PF03060
(NMO) 		3 ASP A 619
ARG A 600
PRO A 590
 None
 1.06A 4wanC-4cw5A:
undetectable		 4wanC-4cw5A:
15.62
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.
4exb PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		PF00248
(Aldo_ket_red) 		3 ASP A  47
ARG A  83
PRO A  80
 None
 0.93A 4wanC-4exbA:
undetectable		 4wanC-4exbA:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fgv CHROMOSOME REGION
MAINTENANCE 1 (CRM1)
OR EXPORTIN 1 (XPO1)

(Chaetomium
thermophilum) 		PF03810
(IBN_N)
PF08389
(Xpo1)
PF08767
(CRM1_C) 		3 ASP A 834
ARG A 793
PRO A 790
 None
 0.93A 4wanC-4fgvA:
undetectable		 4wanC-4fgvA:
8.37
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.
4fkz UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Bacillus
subtilis) 		PF02350
(Epimerase_2) 		3 ASP A  98
ARG A 302
PRO A 131
 UD1  A 401 ( 4.9A)
None
None
 1.06A 4wanC-4fkzA:
undetectable		 4wanC-4fkzA:
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.
4fzd SERINE/THREONINE-PRO
TEIN KINASE MST4

(Homo sapiens) 		PF00069
(Pkinase) 		3 ASP B 197
ARG B 262
PRO B 259
 None
 0.98A 4wanC-4fzdB:
undetectable		 4wanC-4fzdB:
18.64
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.
4gax AMORPHA-4,11-DIENE
SYNTHASE

(Artemisia annua) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		3 ASP A 415
ARG A 276
PRO A 503
 None
 0.84A 4wanC-4gaxA:
undetectable		 4wanC-4gaxA:
13.98
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.
4i8p AMINOALDEHYDE
DEHYDROGENASE 1

(Zea mays) 		PF00171
(Aldedh) 		3 ASP A  48
ARG A  26
PRO A  42
 None
 0.92A 4wanC-4i8pA:
undetectable		 4wanC-4i8pA:
14.37
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.
4j6c CYTOCHROME P450
MONOOXYGENASE

(Nocardia
farcinica) 		PF00067
(p450) 		3 ASP A 132
ARG A 156
PRO A 152
 None
 1.00A 4wanC-4j6cA:
undetectable		 4wanC-4j6cA:
14.15
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.
4jso OLIGOPEPTIDE ABC
TRANSPORTER,
PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF00496
(SBP_bac_5) 		3 ASP A 459
ARG A 281
PRO A 500
 None
 0.81A 4wanC-4jsoA:
undetectable		 4wanC-4jsoA:
13.75
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.
4llf CAPSID PROTEIN

(Cucumber
necrosis virus) 		PF00729
(Viral_coat) 		3 ASP A 123
ARG A 278
PRO A 282
 None
 0.93A 4wanC-4llfA:
undetectable		 4wanC-4llfA:
15.59
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.
4o27 SERINE/THREONINE-PRO
TEIN KINASE 24

(Homo sapiens) 		PF00069
(Pkinase) 		3 ASP B 197
ARG B 262
PRO B 259
 None
 0.96A 4wanC-4o27B:
undetectable		 4wanC-4o27B:
19.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ogc HNH ENDONUCLEASE
DOMAIN PROTEIN

(Actinomyces
naeslundii) 		PF01844
(HNH) 		3 ASP A 950
ARG A 972
PRO A 853
 None
 0.90A 4wanC-4ogcA:
1.4		 4wanC-4ogcA:
8.73
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.
4p7w L-PROLINE
CIS-4-HYDROXYLASE

(Mesorhizobium
japonicum) 		PF05118
(Asp_Arg_Hydrox)
PF05373
(Pro_3_hydrox_C) 		3 ASP A  85
ARG A  90
PRO A  63
 None
 1.09A 4wanC-4p7wA:
undetectable		 4wanC-4p7wA:
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.
4pn0 MRNA-CAPPING ENZYME
SUBUNIT BETA

(Schizosaccharomyces
pombe) 		PF02940
(mRNA_triPase) 		3 ASP A 268
ARG A 286
PRO A 283
 None
 0.60A 4wanC-4pn0A:
undetectable		 4wanC-4pn0A:
18.36
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.
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo sapiens) 		PF00069
(Pkinase) 		3 ASP A 196
ARG A 318
PRO A 315
 None
 0.65A 4wanC-4qtbA:
undetectable		 4wanC-4qtbA:
16.94
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.
4tpt LIM DOMAIN KINASE 2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		3 ASP A 524
ARG A 591
PRO A 588
 None
 0.99A 4wanC-4tptA:
1.8		 4wanC-4tptA:
17.76
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.
4tqt D-HYDANTOINASE

(Brucella suis) 		PF01979
(Amidohydro_1) 		3 ASP A  76
ARG A 119
PRO A 448
 None
 1.05A 4wanC-4tqtA:
undetectable		 4wanC-4tqtA:
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.
4uph SULFATASE (SULFURIC
ESTER HYDROLASE)
PROTEIN

(Agrobacterium
tumefaciens) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		3 ASP A  29
ARG A 291
PRO A 241
 None
 1.00A 4wanC-4uphA:
undetectable		 4wanC-4uphA:
14.00
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.
4uzs BETA-GALACTOSIDASE

(Bifidobacterium
bifidum) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		3 ASP A 387
ARG A 334
PRO A 337
 None
 1.09A 4wanC-4uzsA:
undetectable		 4wanC-4uzsA:
12.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4wan BRANCHPOINT-BRIDGING
PROTEIN

(Saccharomyces
cerevisiae) 		PF00013
(KH_1) 		3 ASP A 157
ARG A 192
PRO A 214
 SO4  A 301 ( 4.3A)
SO4  A 301 (-3.3A)
SO4  A 301 ( 4.5A)
 0.17A 4wanC-4wanA:
23.0		 4wanC-4wanA:
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.
4wbo RHODOPSIN KINASE

(Bos taurus) 		PF00069
(Pkinase)
PF00615
(RGS) 		3 ASP A 367
ARG A 435
PRO A 432
 None
 0.94A 4wanC-4wboA:
undetectable		 4wanC-4wboA:
13.41
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.
4xrl MITOGEN-ACTIVATED
PROTEIN KINASE 1

(Rattus
norvegicus) 		PF00069
(Pkinase) 		3 ASP A 177
ARG A 299
PRO A 296
 None
 0.66A 4wanC-4xrlA:
undetectable		 4wanC-4xrlA:
17.29
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.
4ymd COLLECTIN-11

(Homo sapiens) 		PF00059
(Lectin_C) 		3 ASP A 218
ARG A 223
PRO A 221
 None
 1.08A 4wanC-4ymdA:
undetectable		 4wanC-4ymdA:
23.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zd6 HALOHYDRIN EPOXIDASE
B

(Corynebacterium
sp.) 		PF13561
(adh_short_C2) 		3 ASP A  41
ARG A  96
PRO A  93
 None
 0.91A 4wanC-4zd6A:
undetectable		 4wanC-4zd6A:
17.98
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.
4ze8 ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(AGROCINOPINES A AND
B)

(Agrobacterium
fabrum) 		PF00496
(SBP_bac_5) 		3 ASP A 265
ARG A 246
PRO A 243
 None
 0.83A 4wanC-4ze8A:
undetectable		 4wanC-4ze8A:
14.55
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.
4zyj DNMZ

(Streptomyces
peucetius) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		3 ASP A 236
ARG A 165
PRO A 234
 None
 1.00A 4wanC-4zyjA:
undetectable		 4wanC-4zyjA:
14.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b39 KILLER CELL
IMMUNOGLOBULIN-LIKE
RECEPTOR 3DL1

(Homo sapiens) 		PF00047
(ig) 		3 ASP G 193
ARG G 173
PRO G 191
 None
 1.08A 4wanC-5b39G:
undetectable		 4wanC-5b39G:
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.
5b7i CRISPR-ASSOCIATED
NUCLEASE/HELICASE
CAS3 SUBTYPE
I-F/YPEST

(Pseudomonas
aeruginosa) 		no annotation 3 ASP A 580
ARG A 736
PRO A 822
 None
 0.74A 4wanC-5b7iA:
undetectable		 4wanC-5b7iA:
7.18
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.
5d50 REPRESSOR
ANTI-REPRESSOR
PROTEIN

(Salmonella
virus SPN1S;
Salmonella
virus SPN1S) 		PF01381
(HTH_3)
no annotation 		3 ASP E  47
ARG A   8
PRO A  50
 None
 0.87A 4wanC-5d50E:
undetectable		 4wanC-5d50E:
24.81
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.
5eso 2-SUCCINYL-5-ENOLPYR
UVYL-6-HYDROXY-3-CYC
LOHEXENE-1-CARBOXYLA
TE SYNTHASE

(Mycobacterium
tuberculosis) 		PF02776
(TPP_enzyme_N) 		3 ASP A 219
ARG A 317
PRO A 217
 None
 0.88A 4wanC-5esoA:
undetectable		 4wanC-5esoA:
13.37
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.
5gai PORTAL PROTEIN

(Salmonella
virus P22) 		PF16510
(P22_portal) 		3 ASP A  18
ARG A  26
PRO A 204
 None
 1.06A 4wanC-5gaiA:
undetectable		 4wanC-5gaiA:
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.
5hmq 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE

(Pseudomonas
putida) 		PF00903
(Glyoxalase)
PF01261
(AP_endonuc_2)
PF14696
(Glyoxalase_5) 		3 ASP A 175
ARG A 180
PRO A 226
 None
 0.97A 4wanC-5hmqA:
undetectable		 4wanC-5hmqA:
12.85
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.
5j6s ENDOPLASMIC
RETICULUM
AMINOPEPTIDASE 2

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		3 ASP A 415
ARG A 659
PRO A 656
 None
 0.89A 4wanC-5j6sA:
1.9		 4wanC-5j6sA:
11.07
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.
5ja1 ENTEROBACTIN
SYNTHASE COMPONENT F

(Escherichia
coli) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		3 ASP A 536
ARG A 514
PRO A 644
 None
 1.01A 4wanC-5ja1A:
2.1		 4wanC-5ja1A:
7.30
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.
5k8g ANTIFREEZE PROTEIN

(Marinomonas
primoryensis) 		no annotation 3 ASP A 475
ARG A 368
PRO A 373
 None
 0.80A 4wanC-5k8gA:
undetectable		 4wanC-5k8gA:
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.
5nyy NON-SPECIFIC
SERINE/THREONINE
PROTEIN KINASE

(Thermomonospora
curvata) 		PF03781
(FGE-sulfatase) 		3 ASP A 233
ARG A 153
PRO A 155
 None
 1.03A 4wanC-5nyyA:
undetectable		 4wanC-5nyyA:
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.
5opt 40S RIBOSOMAL
PROTEIN S5, PUTATIVE

(Trypanosoma
cruzi) 		no annotation 3 ASP O  26
ARG O 132
PRO O 129
 None
 1.08A 4wanC-5optO:
undetectable		 4wanC-5optO:
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.
5tnx ALCOHOL
DEHYDROGENASE
ZINC-BINDING DOMAIN
PROTEIN

(Burkholderia
ambifaria) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		3 ASP A 140
ARG A 131
PRO A 137
 None
 1.05A 4wanC-5tnxA:
undetectable		 4wanC-5tnxA:
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.
5wco NS2

(Salmon isavirus) 		no annotation 3 ASP A 119
ARG A  15
PRO A  12
 None
 0.82A 4wanC-5wcoA:
undetectable		 4wanC-5wcoA:
18.66
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.
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo sapiens) 		PF00557
(Peptidase_M24)
PF05195
(AMP_N) 		3 ASP A 296
ARG A 254
PRO A  65
 None
 0.93A 4wanC-5x49A:
undetectable		 4wanC-5x49A:
14.73
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.
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomonas
mexicana) 		no annotation 3 ASP A 121
ARG A 437
PRO A  48
 None
 1.00A 4wanC-5yp3A:
undetectable		 4wanC-5yp3A:
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.
6fdy -

(-) 		no annotation 3 ASP U 191
ARG U 258
PRO U 255
 None
 1.06A 4wanC-6fdyU:
undetectable		 4wanC-6fdyU:
undetectable