SIMILAR PATTERNS OF AMINO ACIDS FOR 4JSE_B_H4BB802

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 GLU A 203
MET A 196
VAL A  57
TRP A  53
 None
None
None
A3P  A 301 (-3.5A)
 1.45A 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 PHE A  17
GLU A  19
ARG A  95
VAL A 122
 None
 1.23A 4jseA-1dc9A:
undetectable
4jseB-1dc9A:
0.0		 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 PHE A 501
GLU A 519
VAL A  41
TRP A 521
 None
 1.20A 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 PHE A  79
GLU A 100
MET A  47
VAL A  26
 None
 1.39A 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.
1mhz METHANE
MONOOXYGENASE
HYDROXYLASE

(Methylosinus
trichosporium) 		PF02332
(Phenol_Hydrox) 		4 PHE D  35
GLU D 132
VAL D  28
TRP D  31
 None
 1.41A 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.
1nj1 PROLINE-TRNA
SYNTHETASE

(Methanothermobacter
thermautotrophicus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		4 TRP A  23
PHE A  20
GLU A  22
ARG A 155
 None
 1.35A 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.
1vmk PURINE NUCLEOSIDE
PHOSPHORYLASE

(Thermotoga
maritima) 		PF01048
(PNP_UDP_1) 		4 TRP A 162
PHE A 265
GLU A 161
VAL A 221
 None
 1.44A 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 GLU A 100
MET A 153
VAL A 107
TRP A 157
 None
 1.42A 4jseA-1wnbA:
0.0
4jseB-1wnbA:
0.0		 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 PHE A1051
GLU A1064
MET A1099
VAL A1057
 None
 1.37A 4jseA-1wueA:
0.0
4jseB-1wueA:
0.0		 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.
1z8l GLUTAMATE
CARBOXYPEPTIDASE II

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		4 TRP A 421
PHE A 524
GLU A 424
ARG A 527
 None
None
ZN  A1751 (-3.6A)
None
 1.41A 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.
2fi2 ZINC FINGER PROTEIN
42

(Homo sapiens) 		PF02023
(SCAN) 		4 PHE A  92
GLU A 114
ARG A 123
VAL A 104
 None
 1.50A 4jseA-2fi2A:
1.4
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.
2i1y RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE

(Homo sapiens) 		PF00102
(Y_phosphatase) 		4 PHE A 854
GLU A 836
ARG A 822
VAL A 840
 None
 1.20A 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.
2o4u DIMERIC DIHYDRODIOL
DEHYDROGENASE

(Macaca
fascicularis) 		PF01408
(GFO_IDH_MocA) 		4 GLU X1122
MET X1099
ARG X1114
VAL X1083
 None
 1.22A 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 GLU X1122
MET X1099
ARG X1114
VAL X1093
 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 GLU A 270
ARG A 217
VAL A 276
TRP A 239
 None
 1.50A 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 PHE A 733
ARG A 423
VAL A 728
TRP A 727
 None
 1.47A 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 TRP A 252
PHE A 254
GLU A 251
VAL A 245
 None
None
MRD  A1301 (-4.3A)
None
 1.42A 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 PHE A 167
GLU A 164
ARG A 189
VAL A 254
 None
BU1  A1293 (-4.5A)
None
None
 1.10A 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.
2yfn ALPHA-GALACTOSIDASE-
SUCROSE KINASE AGASK

([Ruminococcus]
gnavus) 		PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N) 		4 GLU A 415
ARG A 373
VAL A 459
TRP A 383
 None
 1.43A 4jseA-2yfnA:
undetectable
4jseB-2yfnA:
undetectable		 4jseA-2yfnA:
21.75
4jseB-2yfnA:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z11 RIBOSOMAL-PROTEIN-AL
ANINE
ACETYLTRANSFERASE

(Thermus
thermophilus) 		PF13302
(Acetyltransf_3) 		4 TRP A  66
PHE A   4
GLU A   6
VAL A  64
 None
 1.44A 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 TRP A 374
GLU A 372
VAL A 314
TRP A 293
 None
EDO  A 404 ( 3.8A)
None
None
 1.37A 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 GLU A  82
MET A  10
ARG A  29
VAL A  89
 None
 1.19A 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.
3ddl XANTHORHODOPSIN

(Salinibacter
ruber) 		PF01036
(Bac_rhodopsin) 		4 TRP A  70
PHE A  88
GLU A  71
VAL A  16
 None
 1.49A 4jseA-3ddlA:
undetectable
4jseB-3ddlA:
2.1		 4jseA-3ddlA:
20.14
4jseB-3ddlA:
20.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jrq PUTATIVE
UNCHARACTERIZED
PROTEIN AT5G46790

(Arabidopsis
thaliana) 		PF10604
(Polyketide_cyc2) 		4 PHE B  79
GLU B  99
ARG B 122
VAL B  94
 None
 1.44A 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.
3lwd 6-PHOSPHOGLUCONOLACT
ONASE

(Chromohalobacter
salexigens) 		PF01182
(Glucosamine_iso) 		4 TRP A  58
GLU A  94
ARG A  84
VAL A  61
 None
 1.48A 4jseA-3lwdA:
undetectable
4jseB-3lwdA:
undetectable		 4jseA-3lwdA:
20.65
4jseB-3lwdA:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o47 ADP-RIBOSYLATION
FACTOR
GTPASE-ACTIVATING
PROTEIN 1,
ADP-RIBOSYLATION
FACTOR 1

(Homo sapiens) 		PF00025
(Arf)
PF01412
(ArfGap) 		4 GLU A 243
ARG A 149
VAL A 198
TRP A 196
 None
 1.43A 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.
3pov ORF 37

(Human
gammaherpesvirus
8) 		PF01771
(Herpes_alk_exo) 		4 PHE A 280
GLU A 270
ARG A 410
VAL A 344
 None
 1.43A 4jseA-3povA:
undetectable
4jseB-3povA:
undetectable		 4jseA-3povA:
22.39
4jseB-3povA:
22.39
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.
3rjy ENDOGLUCANASE
FNCEL5A

(Fervidobacterium
nodosum) 		PF00150
(Cellulase) 		4 TRP A 146
PHE A 162
GLU A 187
VAL A 149
 None
 1.27A 4jseA-3rjyA:
1.3
4jseB-3rjyA:
1.4		 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 PHE A 305
GLU A 265
VAL A 240
TRP A 239
 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 GLU A1423
MET A1421
VAL A1354
TRP A1355
 None
ACR  A   1 (-3.5A)
None
ACR  A   1 (-4.4A)
 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 TRP A 140
PHE A 118
GLU A 141
VAL A 162
 None
 1.25A 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.
3zqj UVRABC SYSTEM
PROTEIN A

(Mycobacterium
tuberculosis) 		PF00005
(ABC_tran) 		4 PHE A 251
GLU A 253
ARG A 250
VAL A 222
 None
 1.49A 4jseA-3zqjA:
0.6
4jseB-3zqjA:
undetectable		 4jseA-3zqjA:
17.08
4jseB-3zqjA:
17.08
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.
4aq2 HOMOGENTISATE
1,2-DIOXYGENASE

(Pseudomonas
putida) 		PF04209
(HgmA) 		4 PHE A  15
GLU A  18
ARG A 207
VAL A 269
 None
 1.13A 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 TRP C2314
PHE C2329
GLU C2310
VAL C2274
 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 TRP A 195
PHE A 211
MET A 274
ARG A 261
 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 GLU A 192
ARG A 198
VAL A 251
TRP A 200
 None
 0.97A 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 PHE B 154
GLU B 169
ARG B 107
VAL B 187
 None
 1.42A 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.
4kmo PUTATIVE VACUOLAR
PROTEIN
SORTING-ASSOCIATED
PROTEIN

(Chaetomium
thermophilum) 		PF04840
(Vps16_C) 		4 PHE B 753
GLU B 738
ARG B 724
VAL B 757
 None
 1.02A 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 PHE B 327
GLU B 424
VAL B 351
TRP B 355
 None
 1.05A 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.
4py3 BARTONELLA EFFECTOR
PROTEIN (BEP)
SUBSTRATE OF VIRB
T4SS

(Bartonella sp.
1-1C) 		PF02661
(Fic) 		4 PHE A 211
GLU A 206
ARG A 164
VAL A 147
 None
 1.23A 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 PHE B 801
GLU B 803
ARG B 792
VAL P  42
 None
 1.33A 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.
4sli INTRAMOLECULAR
TRANS-SIALIDASE

(Macrobdella
decora) 		PF02973
(Sialidase)
PF13088
(BNR_2) 		4 PHE A 503
GLU A 532
ARG A 428
VAL A 405
 None
 1.41A 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.
4tw5 EPS1P

(Saccharomyces
cerevisiae) 		PF00085
(Thioredoxin) 		4 TRP A  70
PHE A  88
GLU A  72
ARG A 138
 None
 1.02A 4jseA-4tw5A:
undetectable
4jseB-4tw5A:
undetectable		 4jseA-4tw5A:
21.46
4jseB-4tw5A:
21.46
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.
4ux8 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET

(Homo sapiens) 		PF00028
(Cadherin) 		4 PHE A 167
GLU A 164
ARG A 189
VAL A 254
 None
 1.27A 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.
4wcx BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED

(Thermoanaerobacter
italicus) 		PF04055
(Radical_SAM)
PF06968
(BATS) 		4 PHE A 292
GLU A 245
ARG A 313
VAL A 287
 None
 1.46A 4jseA-4wcxA:
0.7
4jseB-4wcxA:
undetectable		 4jseA-4wcxA:
19.77
4jseB-4wcxA:
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.
4xj6 VC0179-LIKE PROTEIN

(Escherichia
coli) 		no annotation 4 TRP A 263
PHE A 264
GLU A 266
VAL A 305
 None
 1.14A 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 PHE A 277
GLU A 279
VAL A 288
TRP A 292
 None
 1.43A 4jseA-4ylrA:
undetectable
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.
5c6g AGR133CP
SISTER CHROMATID
COHESION PROTEIN 2

(Eremothecium
gossypii) 		PF10345
(Cohesin_load)
no annotation 		4 TRP A 401
PHE A 397
GLU A 402
VAL B  28
 None
 1.50A 4jseA-5c6gA:
3.2
4jseB-5c6gA:
2.7		 4jseA-5c6gA:
21.86
4jseB-5c6gA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cyr RNA-DEPENDENT RNA
POLYMERASE

(Thosea asigna
virus) 		no annotation 4 PHE B 136
GLU B 139
ARG B 145
VAL B 542
 None
 1.26A 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.
5ij6 LIPOATE--PROTEIN
LIGASE

(Enterococcus
faecalis) 		PF03099
(BPL_LplA_LipB)
PF10437
(Lip_prot_lig_C) 		4 PHE A 201
GLU A 199
ARG A 186
VAL A  82
 None
 1.43A 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 TRP A 437
PHE A 472
GLU A 438
ARG A 509
 PGE  A 601 ( 4.5A)
PGE  A 601 (-4.3A)
None
None
 1.07A 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 PHE A 183
GLU A 181
ARG A 303
VAL A 208
 None
 1.45A 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 TRP A  83
PHE A  61
GLU A  84
VAL A  92
 None
 1.36A 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 GLU A 276
MET A 273
ARG A 254
VAL A 210
 None
 1.19A 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.
5xct VH(S112C)-SARAH
CHIMERA

(Homo sapiens;
Mus musculus) 		PF07686
(V-set)
PF11629
(Mst1_SARAH) 		4 PHE A  69
GLU A  95
VAL A  37
TRP A  47
 None
 1.36A 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.
6bk5 UBIQUITIN LIGASE CBL

(Salpingoeca
rosetta) 		no annotation 4 PHE A 161
GLU A 221
ARG A 179
VAL A 151
 None
CA  A 401 (-2.2A)
None
None
 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 GLU A 100
MET A 153
VAL A 107
TRP A 157
 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.
6f91 PUTATIVE
ALPHA-1,2-MANNOSIDAS
E

(Bacteroides
thetaiotaomicron) 		no annotation 4 PHE A 557
GLU A 551
ARG A 560
VAL A 541
 None
 1.24A 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 TRP A 125
PHE A  61
ARG A 129
VAL A  88
 None
 1.42A 4jseA-6gdrA:
undetectable
4jseB-6gdrA:
undetectable		 4jseA-6gdrA:
undetectable
4jseB-6gdrA:
undetectable