SIMILAR PATTERNS OF AMINO ACIDS FOR 4JSE_A_H4BA804

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.
1bo6 ESTROGEN
SULFOTRANSFERASE

(Mus musculus) 		PF00685
(Sulfotransfer_1) 		4 MET A 196
VAL A  57
TRP A  53
GLU A 203
 None
None
A3P  A 301 (-3.5A)
None
 1.41A 4jseA-1bo6A:
0.0
4jseB-1bo6A:
0.0		 4jseA-1bo6A:
19.72
4jseB-1bo6A:
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.
1dc9 INTESTINAL FATTY
ACID BINDING PROTEIN

(Rattus
norvegicus) 		PF00061
(Lipocalin) 		4 ARG A  95
VAL A 122
PHE A  17
GLU A  19
 None
 1.25A 4jseA-1dc9A:
undetectable
4jseB-1dc9A:
undetectable		 4jseA-1dc9A:
15.17
4jseB-1dc9A:
15.17
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.
1flg PROTEIN
(QUINOPROTEIN
ETHANOL
DEHYDROGENASE)

(Pseudomonas
aeruginosa) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		4 VAL A  41
TRP A 521
PHE A 501
GLU A 519
 None
 1.24A 4jseA-1flgA:
undetectable
4jseB-1flgA:
0.0		 4jseA-1flgA:
19.67
4jseB-1flgA:
19.67
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.
1gh2 THIOREDOXIN-LIKE
PROTEIN

(Homo sapiens) 		PF00085
(Thioredoxin) 		4 MET A  47
VAL A  26
PHE A  79
GLU A 100
 None
 1.36A 4jseA-1gh2A:
0.0
4jseB-1gh2A:
0.0		 4jseA-1gh2A:
12.22
4jseB-1gh2A:
12.22
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.
1k1x 4-ALPHA-GLUCANOTRANS
FERASE

(Thermococcus
litoralis) 		PF03065
(Glyco_hydro_57)
PF09094
(DUF1925)
PF09095
(DUF1926) 		4 ARG A 188
VAL A 228
TRP A 227
GLU A 236
 None
 1.32A 4jseA-1k1xA:
0.0
4jseB-1k1xA:
0.0		 4jseA-1k1xA:
21.29
4jseB-1k1xA:
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.
1mhz METHANE
MONOOXYGENASE
HYDROXYLASE

(Methylosinus
trichosporium) 		PF02332
(Phenol_Hydrox) 		4 VAL D  28
TRP D  31
PHE D  35
GLU D 132
 None
 1.43A 4jseA-1mhzD:
0.0
4jseB-1mhzD:
0.0		 4jseA-1mhzD:
20.85
4jseB-1mhzD:
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.
1mlz 7,8-DIAMINO-PELARGON
IC ACID
AMINOTRANSFERASE

(Escherichia
coli) 		PF00202
(Aminotran_3) 		4 MET A 198
ARG A 136
VAL A 208
GLU A 238
 None
 1.41A 4jseA-1mlzA:
0.0
4jseB-1mlzA:
0.0		 4jseA-1mlzA:
21.06
4jseB-1mlzA:
21.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nj1 PROLINE-TRNA
SYNTHETASE

(Methanothermobacter
thermautotrophicus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		4 ARG A 155
TRP A  23
PHE A  20
GLU A  22
 None
 1.39A 4jseA-1nj1A:
0.0
4jseB-1nj1A:
0.0		 4jseA-1nj1A:
22.07
4jseB-1nj1A:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rz3 HYPOTHETICAL PROTEIN
RBSTP0775

(Geobacillus
stearothermophilus) 		PF00485
(PRK) 		4 MET A  58
ARG A 137
PHE A 144
GLU A 131
 None
 1.29A 4jseA-1rz3A:
0.0
4jseB-1rz3A:
0.0		 4jseA-1rz3A:
19.56
4jseB-1rz3A:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vmk PURINE NUCLEOSIDE
PHOSPHORYLASE

(Thermotoga
maritima) 		PF01048
(PNP_UDP_1) 		4 VAL A 221
TRP A 162
PHE A 265
GLU A 161
 None
 1.43A 4jseA-1vmkA:
undetectable
4jseB-1vmkA:
undetectable		 4jseA-1vmkA:
21.48
4jseB-1vmkA:
21.48
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.
1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE

(Escherichia
coli) 		PF00171
(Aldedh) 		4 MET A 153
VAL A 107
TRP A 157
GLU A 100
 None
 1.42A 4jseA-1wnbA:
0.0
4jseB-1wnbA:
undetectable		 4jseA-1wnbA:
22.01
4jseB-1wnbA:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wue MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Enterococcus
faecalis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 MET A1099
VAL A1057
PHE A1051
GLU A1064
 None
 1.35A 4jseA-1wueA:
undetectable
4jseB-1wueA:
undetectable		 4jseA-1wueA:
24.31
4jseB-1wueA:
24.31
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.
1z6o FERRITIN HEAVY CHAIN

(Trichoplusia ni) 		PF00210
(Ferritin) 		4 MET M 171
VAL M 106
PHE M  56
GLU M 175
 None
 1.49A 4jseA-1z6oM:
undetectable
4jseB-1z6oM:
1.7		 4jseA-1z6oM:
16.67
4jseB-1z6oM:
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.
1z8l GLUTAMATE
CARBOXYPEPTIDASE II

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		4 ARG A 527
TRP A 421
PHE A 524
GLU A 424
 None
None
None
ZN  A1751 (-3.6A)
 1.43A 4jseA-1z8lA:
0.6
4jseB-1z8lA:
3.0		 4jseA-1z8lA:
20.85
4jseB-1z8lA:
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.
2bfu COWPEA MOSAIC VIRUS,
LARGE (L) SUBUNIT
COWPEA MOSAIC VIRUS,
SMALL (S) SUBUNIT

(Cowpea mosaic
virus) 		PF02247
(Como_LCP)
PF02248
(Como_SCP) 		4 MET L 238
ARG S 164
VAL S  59
PHE S 169
 None
 1.40A 4jseA-2bfuL:
undetectable
4jseB-2bfuL:
undetectable		 4jseA-2bfuL:
21.60
4jseB-2bfuL:
21.60
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.
2fi2 ZINC FINGER PROTEIN
42

(Homo sapiens) 		PF02023
(SCAN) 		4 ARG A 123
VAL A 104
PHE A  92
GLU A 114
 None
 1.47A 4jseA-2fi2A:
undetectable
4jseB-2fi2A:
undetectable		 4jseA-2fi2A:
14.25
4jseB-2fi2A:
14.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fq4 TRANSCRIPTIONAL
REGULATOR, TETR
FAMILY

(Bacillus cereus) 		PF00440
(TetR_N)
PF16859
(TetR_C_11) 		4 MET A  61
ARG A 128
PHE A 125
GLU A 119
 None
 1.39A 4jseA-2fq4A:
1.2
4jseB-2fq4A:
undetectable		 4jseA-2fq4A:
19.85
4jseB-2fq4A:
19.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i1y RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE

(Homo sapiens) 		PF00102
(Y_phosphatase) 		4 ARG A 822
VAL A 840
PHE A 854
GLU A 836
 None
 1.25A 4jseA-2i1yA:
undetectable
4jseB-2i1yA:
undetectable		 4jseA-2i1yA:
21.18
4jseB-2i1yA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j0r HEMIN TRANSPORT
PROTEIN HEMS

(Yersinia
enterocolitica) 		PF05171
(HemS) 		4 ARG A 276
VAL A 272
PHE A 256
GLU A  76
 None
None
None
12P  A1352 (-4.0A)
 1.49A 4jseA-2j0rA:
undetectable
4jseB-2j0rA:
undetectable		 4jseA-2j0rA:
20.82
4jseB-2j0rA:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o4u DIMERIC DIHYDRODIOL
DEHYDROGENASE

(Macaca
fascicularis) 		PF01408
(GFO_IDH_MocA) 		4 MET X1099
ARG X1114
VAL X1083
GLU X1122
 None
 1.19A 4jseA-2o4uX:
undetectable
4jseB-2o4uX:
undetectable		 4jseA-2o4uX:
21.04
4jseB-2o4uX:
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.
2o4u DIMERIC DIHYDRODIOL
DEHYDROGENASE

(Macaca
fascicularis) 		PF01408
(GFO_IDH_MocA) 		4 MET X1099
ARG X1114
VAL X1093
GLU X1122
 None
 1.45A 4jseA-2o4uX:
undetectable
4jseB-2o4uX:
undetectable		 4jseA-2o4uX:
21.04
4jseB-2o4uX:
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.
2o6q VARIABLE LYMPHOCYTE
RECEPTOR A

(Eptatretus
burgeri) 		PF13855
(LRR_8) 		4 ARG A 217
VAL A 276
TRP A 239
GLU A 270
 None
 1.42A 4jseA-2o6qA:
undetectable
4jseB-2o6qA:
undetectable		 4jseA-2o6qA:
20.28
4jseB-2o6qA:
20.28
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.
2pi5 DNA-DIRECTED RNA
POLYMERASE

(Escherichia
virus T7) 		PF00940
(RNA_pol)
PF14700
(RPOL_N) 		4 ARG A 423
VAL A 728
TRP A 727
PHE A 733
 None
 1.43A 4jseA-2pi5A:
undetectable
4jseB-2pi5A:
undetectable		 4jseA-2pi5A:
18.98
4jseB-2pi5A:
18.98
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.
2vy0 ENDO-BETA-1,3-GLUCAN
ASE

(Pyrococcus
furiosus) 		PF00722
(Glyco_hydro_16) 		4 VAL A 245
TRP A 252
PHE A 254
GLU A 251
 None
None
None
MRD  A1301 (-4.3A)
 1.43A 4jseA-2vy0A:
undetectable
4jseB-2vy0A:
undetectable		 4jseA-2vy0A:
20.00
4jseB-2vy0A:
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.
2x2u PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET

(Homo sapiens) 		PF00028
(Cadherin) 		4 ARG A 189
VAL A 254
PHE A 167
GLU A 164
 None
None
None
BU1  A1293 (-4.5A)
 1.13A 4jseA-2x2uA:
undetectable
4jseB-2x2uA:
undetectable		 4jseA-2x2uA:
21.00
4jseB-2x2uA:
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.
2z11 RIBOSOMAL-PROTEIN-AL
ANINE
ACETYLTRANSFERASE

(Thermus
thermophilus) 		PF13302
(Acetyltransf_3) 		4 VAL A  64
TRP A  66
PHE A   4
GLU A   6
 None
 1.46A 4jseA-2z11A:
undetectable
4jseB-2z11A:
undetectable		 4jseA-2z11A:
17.58
4jseB-2z11A:
17.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b7f GLYCOSYL HYDROLASE,
BNR REPEAT

(Cupriavidus
pinatubonensis) 		no annotation 4 VAL A 314
TRP A 293
TRP A 374
GLU A 372
 None
None
None
EDO  A 404 ( 3.8A)
 1.41A 4jseA-3b7fA:
undetectable
4jseB-3b7fA:
undetectable		 4jseA-3b7fA:
20.87
4jseB-3b7fA:
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.
3bhh CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE II BETA
CHAIN

(Homo sapiens) 		PF00069
(Pkinase) 		4 MET A  10
ARG A  29
VAL A  89
GLU A  82
 None
 1.10A 4jseA-3bhhA:
undetectable
4jseB-3bhhA:
undetectable		 4jseA-3bhhA:
20.58
4jseB-3bhhA:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hur ALANINE RACEMASE

(Oenococcus oeni) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		4 MET A 297
VAL A 252
TRP A 293
PHE A 287
 None
 1.48A 4jseA-3hurA:
undetectable
4jseB-3hurA:
undetectable		 4jseA-3hurA:
24.21
4jseB-3hurA:
24.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jrq PUTATIVE
UNCHARACTERIZED
PROTEIN AT5G46790

(Arabidopsis
thaliana) 		PF10604
(Polyketide_cyc2) 		4 ARG B 122
VAL B  94
PHE B  79
GLU B  99
 None
 1.34A 4jseA-3jrqB:
undetectable
4jseB-3jrqB:
undetectable		 4jseA-3jrqB:
20.41
4jseB-3jrqB:
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.
3o47 ADP-RIBOSYLATION
FACTOR
GTPASE-ACTIVATING
PROTEIN 1,
ADP-RIBOSYLATION
FACTOR 1

(Homo sapiens) 		PF00025
(Arf)
PF01412
(ArfGap) 		4 ARG A 149
VAL A 198
TRP A 196
GLU A 243
 None
 1.39A 4jseA-3o47A:
undetectable
4jseB-3o47A:
undetectable		 4jseA-3o47A:
21.68
4jseB-3o47A:
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.
3rjy ENDOGLUCANASE
FNCEL5A

(Fervidobacterium
nodosum) 		PF00150
(Cellulase) 		4 VAL A 149
TRP A 146
PHE A 162
GLU A 187
 None
 1.29A 4jseA-3rjyA:
1.3
4jseB-3rjyA:
1.5		 4jseA-3rjyA:
21.27
4jseB-3rjyA:
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.
3ti8 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 VAL A 240
TRP A 239
PHE A 305
GLU A 265
 None
 1.37A 4jseA-3ti8A:
undetectable
4jseB-3ti8A:
undetectable		 4jseA-3ti8A:
22.64
4jseB-3ti8A:
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.
3top MALTASE-GLUCOAMYLASE
, INTESTINAL

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		4 MET A1421
VAL A1354
TRP A1355
GLU A1423
 ACR  A   1 (-3.5A)
None
ACR  A   1 (-4.4A)
None
 1.19A 4jseA-3topA:
undetectable
4jseB-3topA:
undetectable		 4jseA-3topA:
18.20
4jseB-3topA:
18.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tqu NON-CANONICAL PURINE
NTP PYROPHOSPHATASE

(Coxiella
burnetii) 		PF01725
(Ham1p_like) 		4 VAL A 162
TRP A 140
PHE A 118
GLU A 141
 None
 1.26A 4jseA-3tquA:
undetectable
4jseB-3tquA:
undetectable		 4jseA-3tquA:
19.05
4jseB-3tquA:
19.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4acz ENDO-ALPHA-MANNOSIDA
SE

(Bacteroides
thetaiotaomicron) 		PF16317
(Glyco_hydro_99) 		4 ARG B 165
TRP B 203
PHE B 207
GLU B 202
 None
 1.44A 4jseA-4aczB:
undetectable
4jseB-4aczB:
0.1		 4jseA-4aczB:
22.22
4jseB-4aczB:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4aq2 HOMOGENTISATE
1,2-DIOXYGENASE

(Pseudomonas
putida) 		PF04209
(HgmA) 		4 ARG A 207
VAL A 269
PHE A  15
GLU A  18
 None
 1.16A 4jseA-4aq2A:
undetectable
4jseB-4aq2A:
undetectable		 4jseA-4aq2A:
21.41
4jseB-4aq2A:
21.41
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.
4bgd PRE-MRNA-SPLICING
FACTOR 8

(Saccharomyces
cerevisiae) 		PF08084
(PROCT) 		4 VAL C2274
TRP C2314
PHE C2329
GLU C2310
 None
 1.36A 4jseA-4bgdC:
undetectable
4jseB-4bgdC:
undetectable		 4jseA-4bgdC:
20.99
4jseB-4bgdC:
20.99
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.
4bgq CYCLIN-DEPENDENT
KINASE-LIKE 5

(Homo sapiens) 		PF00069
(Pkinase) 		4 MET A 274
ARG A 261
TRP A 195
PHE A 211
 None
 1.39A 4jseA-4bgqA:
undetectable
4jseB-4bgqA:
undetectable		 4jseA-4bgqA:
21.41
4jseB-4bgqA:
21.41
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.
4dzr PROTEIN-(GLUTAMINE-N
5)
METHYLTRANSFERASE,
RELEASE
FACTOR-SPECIFIC

(Alicyclobacillus
acidocaldarius) 		PF05175
(MTS) 		4 ARG A 198
VAL A 251
TRP A 200
GLU A 192
 None
 0.85A 4jseA-4dzrA:
undetectable
4jseB-4dzrA:
undetectable		 4jseA-4dzrA:
21.36
4jseB-4dzrA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hxe PUTATIVE
UNCHARACTERIZED
PROTEIN PH0594

(Pyrococcus
horikoshii) 		PF00326
(Peptidase_S9)
PF07676
(PD40) 		4 ARG B 107
VAL B 187
PHE B 154
GLU B 169
 None
 1.49A 4jseA-4hxeB:
1.6
4jseB-4hxeB:
2.2		 4jseA-4hxeB:
20.98
4jseB-4hxeB:
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.
4in9 KARILYSIN PROTEASE

(Tannerella
forsythia) 		PF00413
(Peptidase_M10) 		4 ARG A  63
VAL A 152
PHE A 134
GLU A 138
 None
None
None
GOL  A 307 (-3.7A)
 1.38A 4jseA-4in9A:
undetectable
4jseB-4in9A:
undetectable		 4jseA-4in9A:
16.12
4jseB-4in9A:
16.12
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.
4kmo PUTATIVE VACUOLAR
PROTEIN
SORTING-ASSOCIATED
PROTEIN

(Chaetomium
thermophilum) 		PF04840
(Vps16_C) 		4 ARG B 724
VAL B 757
PHE B 753
GLU B 738
 None
 1.01A 4jseA-4kmoB:
undetectable
4jseB-4kmoB:
2.2		 4jseA-4kmoB:
23.06
4jseB-4kmoB:
23.06
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.
4l37 ARYLPHORIN

(Bombyx mori) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 VAL B 351
TRP B 355
PHE B 327
GLU B 424
 None
 1.03A 4jseA-4l37B:
undetectable
4jseB-4l37B:
undetectable		 4jseA-4l37B:
20.69
4jseB-4l37B:
20.69
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.
4o8v ALGINATE
BIOSYNTHESIS PROTEIN
ALGJ

(Pseudomonas
putida) 		PF16822
(ALGX) 		4 MET A 176
VAL A 131
TRP A 193
PHE A 297
 None
 1.33A 4jseA-4o8vA:
0.2
4jseB-4o8vA:
undetectable		 4jseA-4o8vA:
23.15
4jseB-4o8vA:
23.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4py3 BARTONELLA EFFECTOR
PROTEIN (BEP)
SUBSTRATE OF VIRB
T4SS

(Bartonella sp.
1-1C) 		PF02661
(Fic) 		4 ARG A 164
VAL A 147
PHE A 211
GLU A 206
 None
 1.29A 4jseA-4py3A:
1.1
4jseB-4py3A:
undetectable		 4jseA-4py3A:
20.96
4jseB-4py3A:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qiw DNA-DIRECTED RNA
POLYMERASE
DNA-DIRECTED RNA
POLYMERASE SUBUNIT P

(Thermococcus
kodakarensis) 		PF00562
(RNA_pol_Rpb2_6)
PF03604
(DNA_RNApol_7kD)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		4 ARG B 792
VAL P  42
PHE B 801
GLU B 803
 None
 1.36A 4jseA-4qiwB:
1.3
4jseB-4qiwB:
undetectable		 4jseA-4qiwB:
15.90
4jseB-4qiwB:
15.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rpa PROBABLE
MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Staphylococcus
aureus) 		PF01368
(DHH)
PF02833
(DHHA2) 		4 MET A  23
ARG A 112
VAL A  74
GLU A  27
 None
 1.47A 4jseA-4rpaA:
undetectable
4jseB-4rpaA:
undetectable		 4jseA-4rpaA:
20.87
4jseB-4rpaA:
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.
4sli INTRAMOLECULAR
TRANS-SIALIDASE

(Macrobdella
decora) 		PF02973
(Sialidase)
PF13088
(BNR_2) 		4 ARG A 428
VAL A 405
PHE A 503
GLU A 532
 None
 1.46A 4jseA-4sliA:
undetectable
4jseB-4sliA:
undetectable		 4jseA-4sliA:
21.54
4jseB-4sliA:
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.
4ux8 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET

(Homo sapiens) 		PF00028
(Cadherin) 		4 ARG A 189
VAL A 254
PHE A 167
GLU A 164
 None
 1.30A 4jseA-4ux8A:
undetectable
4jseB-4ux8A:
undetectable		 4jseA-4ux8A:
20.68
4jseB-4ux8A:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4v16 SVP1-LIKE PROTEIN 2

(Kluyveromyces
lactis) 		no annotation 4 ARG A 220
TRP A 277
PHE A 251
GLU A 217
 None
 1.30A 4jseA-4v16A:
undetectable
4jseB-4v16A:
undetectable		 4jseA-4v16A:
24.69
4jseB-4v16A:
24.69
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.
4xj6 VC0179-LIKE PROTEIN

(Escherichia
coli) 		no annotation 4 VAL A 305
TRP A 263
PHE A 264
GLU A 266
 None
 1.15A 4jseA-4xj6A:
undetectable
4jseB-4xj6A:
2.1		 4jseA-4xj6A:
21.06
4jseB-4xj6A:
21.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ylr TUBULIN
POLYGLUTAMYLASE
TTLL7

(Homo sapiens) 		PF03133
(TTL) 		4 VAL A 288
TRP A 292
PHE A 277
GLU A 279
 None
 1.42A 4jseA-4ylrA:
0.2
4jseB-4ylrA:
undetectable		 4jseA-4ylrA:
22.81
4jseB-4ylrA:
22.81
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.
5cyr RNA-DEPENDENT RNA
POLYMERASE

(Thosea asigna
virus) 		no annotation 4 ARG B 145
VAL B 542
PHE B 136
GLU B 139
 None
 1.23A 4jseA-5cyrB:
0.0
4jseB-5cyrB:
undetectable		 4jseA-5cyrB:
19.81
4jseB-5cyrB:
19.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ewn STRUCTURAL PROTEIN

(Mamastrovirus 1) 		PF03115
(Astro_capsid_N) 		4 ARG A 365
VAL A 277
PHE A 367
GLU A 280
 None
 1.47A 4jseA-5ewnA:
undetectable
4jseB-5ewnA:
undetectable		 4jseA-5ewnA:
21.32
4jseB-5ewnA:
21.32
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.
5ibv CAPSID POLYPROTEIN
VP90

(Mamastrovirus 1) 		PF03115
(Astro_capsid_N) 		4 ARG A 365
VAL A 277
PHE A 367
GLU A 280
 None
 1.48A 4jseA-5ibvA:
undetectable
4jseB-5ibvA:
undetectable		 4jseA-5ibvA:
22.82
4jseB-5ibvA:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ij6 LIPOATE--PROTEIN
LIGASE

(Enterococcus
faecalis) 		PF03099
(BPL_LplA_LipB)
PF10437
(Lip_prot_lig_C) 		4 ARG A 186
VAL A  82
PHE A 201
GLU A 199
 None
 1.38A 4jseA-5ij6A:
undetectable
4jseB-5ij6A:
undetectable		 4jseA-5ij6A:
20.45
4jseB-5ij6A:
20.45
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.
5imt INTERMEDILYSIN

(Streptococcus
intermedius) 		PF01289
(Thiol_cytolysin)
PF17440
(Thiol_cytolys_C) 		4 ARG A 509
TRP A 437
PHE A 472
GLU A 438
 None
PGE  A 601 ( 4.5A)
PGE  A 601 (-4.3A)
None
 1.03A 4jseA-5imtA:
undetectable
4jseB-5imtA:
undetectable		 4jseA-5imtA:
20.39
4jseB-5imtA:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jk0 TYROSINE RECOMBINASE
XERH

(Helicobacter
pylori) 		PF00589
(Phage_integrase) 		4 ARG A 303
VAL A 208
PHE A 183
GLU A 181
 None
 1.49A 4jseA-5jk0A:
1.8
4jseB-5jk0A:
1.8		 4jseA-5jk0A:
23.32
4jseB-5jk0A:
23.32
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.
5kn8 ADENINE DNA
GLYCOSYLASE

(Geobacillus
stearothermophilus) 		PF00633
(HHH)
PF00730
(HhH-GPD) 		4 VAL A  92
TRP A  83
PHE A  61
GLU A  84
 None
 1.37A 4jseA-5kn8A:
undetectable
4jseB-5kn8A:
undetectable		 4jseA-5kn8A:
22.28
4jseB-5kn8A:
22.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l0z PROBABLE RNA
METHYLTRANSFERASE,
TRMH FAMILY

(Sinorhizobium
meliloti) 		PF00588
(SpoU_methylase)
PF08032
(SpoU_sub_bind) 		4 MET A 273
ARG A 254
VAL A 210
GLU A 276
 None
 1.11A 4jseA-5l0zA:
undetectable
4jseB-5l0zA:
undetectable		 4jseA-5l0zA:
21.70
4jseB-5l0zA:
21.70
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.
5n4l CERULOPLASMIN

(Rattus
norvegicus) 		no annotation 4 ARG A 352
VAL A 460
TRP A 494
GLU A 493
 None
 1.45A 4jseA-5n4lA:
undetectable
4jseB-5n4lA:
undetectable		 4jseA-5n4lA:
12.14
4jseB-5n4lA:
12.14
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.
5xct VH(S112C)-SARAH
CHIMERA

(Homo sapiens;
Mus musculus) 		PF07686
(V-set)
PF11629
(Mst1_SARAH) 		4 VAL A  37
TRP A  47
PHE A  69
GLU A  95
 None
 1.38A 4jseA-5xctA:
undetectable
4jseB-5xctA:
undetectable		 4jseA-5xctA:
16.71
4jseB-5xctA:
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.
5y6n HELICASE DOMAIN FROM
GENOME POLYPROTEIN

(Zika virus) 		no annotation 4 ARG A 298
VAL A 515
TRP A 487
GLU A 489
 None
 1.46A 4jseA-5y6nA:
undetectable
4jseB-5y6nA:
undetectable		 4jseA-5y6nA:
12.29
4jseB-5y6nA:
12.29
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.
6bk5 UBIQUITIN LIGASE CBL

(Salpingoeca
rosetta) 		no annotation 4 ARG A 179
VAL A 151
PHE A 161
GLU A 221
 None
None
None
CA  A 401 (-2.2A)
 1.38A 4jseA-6bk5A:
undetectable
4jseB-6bk5A:
3.2		 4jseA-6bk5A:
10.76
4jseB-6bk5A:
10.76
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.
6c43 GAMMA-AMINOBUTYRALDE
HYDE DEHYDROGENASE

(Salmonella
enterica) 		no annotation 4 MET A 153
VAL A 107
TRP A 157
GLU A 100
 None
 1.42A 4jseA-6c43A:
undetectable
4jseB-6c43A:
1.4		 4jseA-6c43A:
14.75
4jseB-6c43A:
14.75
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.
6f4c ALPHA-GALACTOSIDASE

(Nicotiana
benthamiana) 		no annotation 4 MET B 276
ARG B 247
VAL B 271
GLU B 280
 None
 1.12A 4jseA-6f4cB:
undetectable
4jseB-6f4cB:
undetectable		 4jseA-6f4cB:
11.66
4jseB-6f4cB:
11.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f91 PUTATIVE
ALPHA-1,2-MANNOSIDAS
E

(Bacteroides
thetaiotaomicron) 		no annotation 4 ARG A 560
VAL A 541
PHE A 557
GLU A 551
 None
 1.28A 4jseA-6f91A:
undetectable
4jseB-6f91A:
undetectable		 4jseA-6f91A:
10.51
4jseB-6f91A:
10.51
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.
6gdr -

(-) 		no annotation 4 ARG A 129
VAL A  88
TRP A 125
PHE A  61
 None
 1.36A 4jseA-6gdrA:
undetectable
4jseB-6gdrA:
undetectable		 4jseA-6gdrA:
undetectable
4jseB-6gdrA:
undetectable