SIMILAR PATTERNS OF AMINO ACIDS FOR 4DJE_A_C2FA300_0

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.
1et6 SUPERANTIGEN SMEZ-2

(Streptococcus
pyogenes) 		PF01123
(Stap_Strp_toxin)
PF02876
(Stap_Strp_tox_C) 		5 ASN A   5
PHE A 175
ASP A   4
GLY A 151
SER A 152
 None
 1.40A 4djeA-1et6A:
undetectable		 4djeA-1et6A:
19.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1eu8 TREHALOSE/MALTOSE
BINDING PROTEIN

(Thermococcus
litoralis) 		PF01547
(SBP_bac_1) 		5 PHE A  28
ASP A  65
LEU A  57
GLY A 298
ILE A 299
 None
 1.45A 4djeA-1eu8A:
undetectable		 4djeA-1eu8A:
21.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1f6y 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE

(Moorella
thermoacetica) 		PF00809
(Pterin_bind) 		8 ASN A   9
MET A  11
PHE A  12
ASP A  43
ASP A 160
GLY A 196
GLN A 202
ARG A 207
 None
 1.36A 4djeA-1f6yA:
43.6		 4djeA-1f6yA:
99.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1f6y 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE

(Moorella
thermoacetica) 		PF00809
(Pterin_bind) 		12 GLU A   6
ASN A   9
MET A  11
PHE A  12
ASP A  75
LEU A 122
ASP A 160
GLY A 196
SER A 198
GLN A 202
ARG A 207
ILE A 227
 None
 0.56A 4djeA-1f6yA:
43.6		 4djeA-1f6yA:
99.24
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.
1jx2 MYOSIN-2 HEAVY
CHAIN,DYNAMIN-A

(Dictyostelium
discoideum) 		PF00063
(Myosin_head)
PF02736
(Myosin_N) 		5 GLU A 487
ASN A 483
PHE A 469
LEU A 558
ILE A 528
 None
 1.17A 4djeA-1jx2A:
3.1		 4djeA-1jx2A:
13.00
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.
1npc NEUTRAL PROTEASE

(Bacillus cereus) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		5 GLU A 178
ASN A 184
ASP A  73
GLY A 137
ILE A 138
 CA  A 319 ( 2.5A)
CA  A 320 ( 4.9A)
None
None
None
 1.32A 4djeA-1npcA:
undetectable		 4djeA-1npcA:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pss PHOTOSYNTHETIC
REACTION CENTER
PHOTOSYNTHETIC
REACTION CENTER

(Rhodobacter
sphaeroides;
Rhodobacter
sphaeroides) 		PF00124
(Photo_RC)
PF00124
(Photo_RC) 		5 LEU M 224
GLY L 225
GLN M  11
ARG M  13
ILE L 224
 None
U10  L 272 (-4.3A)
None
None
U10  L 272 (-4.4A)
 1.22A 4djeA-1pssM:
undetectable		 4djeA-1pssM:
21.17
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.
1rxw FLAP
STRUCTURE-SPECIFIC
ENDONUCLEASE

(Archaeoglobus
fulgidus) 		PF00752
(XPG_N)
PF00867
(XPG_I) 		5 PHE A  86
ASP A 235
ASP A  27
GLY A 152
SER A 150
 None
 1.31A 4djeA-1rxwA:
undetectable		 4djeA-1rxwA:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ryy ALPHA-AMINO ACID
ESTER HYDROLASE

(Acetobacter
pasteurianus) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C) 		5 GLU A 228
PHE A 398
LEU A 317
GLY A 208
ARG A 145
 None
 1.37A 4djeA-1ryyA:
undetectable		 4djeA-1ryyA:
17.07
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.
1ryy ALPHA-AMINO ACID
ESTER HYDROLASE

(Acetobacter
pasteurianus) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C) 		5 GLU A 228
PHE A 398
LEU A 321
GLY A 208
ARG A 145
 None
 1.37A 4djeA-1ryyA:
undetectable		 4djeA-1ryyA:
17.07
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.
1sqg SUN PROTEIN

(Escherichia
coli) 		PF01029
(NusB)
PF01189
(Methyltr_RsmB-F) 		5 GLU A 381
LEU A 320
ASP A 322
SER A 376
GLN A 410
 None
 1.38A 4djeA-1sqgA:
undetectable		 4djeA-1sqgA:
21.17
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.
1uyv ACETYL-COA
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF01039
(Carboxyl_trans) 		5 MET A1564
ASP A1601
GLY A1734
SER A1732
ILE A1735
 None
 1.44A 4djeA-1uyvA:
2.3		 4djeA-1uyvA:
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.
1vg0 RAB PROTEINS
GERANYLGERANYLTRANSF
ERASE COMPONENT A 1

(Rattus
norvegicus) 		PF00996
(GDI) 		5 MET A 551
PHE A 549
ASP A  92
ASP A  38
GLY A  44
 None
 1.24A 4djeA-1vg0A:
undetectable		 4djeA-1vg0A:
17.82
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.
1xkh FERRIPYOVERDINE
RECEPTOR

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 ASN A 205
ASP A 186
LEU A 268
GLY A 234
SER A 232
 None
 1.30A 4djeA-1xkhA:
undetectable		 4djeA-1xkhA:
16.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y7p HYPOTHETICAL PROTEIN
AF1403

(Archaeoglobus
fulgidus) 		PF01842
(ACT) 		5 LEU A 175
GLY A 103
SER A 106
ARG A 110
ILE A 102
 None
 1.23A 4djeA-1y7pA:
undetectable		 4djeA-1y7pA:
21.20
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.
1yve ACETOHYDROXY ACID
ISOMEROREDUCTASE

(Spinacia
oleracea) 		PF01450
(IlvC)
PF07991
(IlvN) 		5 LEU I 224
GLY I 231
SER I 235
GLN I 238
ILE I 412
 None
 1.30A 4djeA-1yveI:
undetectable		 4djeA-1yveI:
18.74
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.
2f1n CYTOLETHAL
DISTENDING TOXIN
SUBUNIT B

(Escherichia
coli) 		PF03372
(Exo_endo_phos) 		5 ASN A 129
ASP A 130
LEU A 226
GLY A 216
SER A 218
 None
 1.33A 4djeA-2f1nA:
undetectable		 4djeA-2f1nA:
23.93
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.
2ixo SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
ACTIVATOR 1

(Saccharomyces
cerevisiae) 		PF03095
(PTPA) 		5 LEU A 204
ASP A 205
GLY A 251
GLN A 218
ILE A 252
 None
 1.17A 4djeA-2ixoA:
undetectable		 4djeA-2ixoA:
22.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2kvk ACTIN SEVERING AND
DYNAMICS REGULATORY
PROTEIN

(Leishmania
donovani) 		PF00241
(Cofilin_ADF) 		5 GLU A  45
ASP A  18
LEU A  81
ASP A  68
SER A  47
 None
 1.46A 4djeA-2kvkA:
undetectable		 4djeA-2kvkA:
22.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oas 4-HYDROXYBUTYRATE
COENZYME A
TRANSFERASE

(Shewanella
oneidensis) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		5 PHE A  76
LEU A 219
ASP A 216
GLY A 212
ILE A 211
 COA  A 501 (-4.5A)
None
None
None
None
 1.44A 4djeA-2oasA:
undetectable		 4djeA-2oasA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pzk PUTATIVE NUCLEOTIDE
SUGAR EPIMERASE/
DEHYDRATASE

(Bordetella
bronchiseptica) 		PF01370
(Epimerase) 		5 MET A 201
PHE A 204
GLY A   8
SER A  75
ILE A   5
 None
None
None
NAD  A 401 (-3.2A)
None
 1.44A 4djeA-2pzkA:
undetectable		 4djeA-2pzkA:
22.77
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.
2r7d RIBONUCLEASE II
FAMILY PROTEIN

(Deinococcus
radiodurans) 		PF00773
(RNB) 		5 LEU A 113
ASP A 180
GLY A 183
SER A 226
ARG A 227
 None
 1.44A 4djeA-2r7dA:
undetectable		 4djeA-2r7dA:
22.57
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.
2xn1 ALPHA-GALACTOSIDASE

(Lactobacillus
acidophilus) 		PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N) 		5 ASP A 370
GLY A 533
SER A 531
GLN A 541
ARG A 536
 TRS  A1733 (-2.7A)
TRS  A1733 (-4.4A)
None
None
None
 1.37A 4djeA-2xn1A:
8.5		 4djeA-2xn1A:
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.
2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME

(Homo sapiens) 		PF01401
(Peptidase_M2) 		5 GLU A 557
LEU A 329
GLY A 559
SER A 555
GLN A 554
 None
 1.30A 4djeA-2xy9A:
undetectable		 4djeA-2xy9A:
18.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE

(Carboxydothermus
hydrogenoformans) 		PF00809
(Pterin_bind) 		5 ASN A  46
ASP A 161
GLY A 197
GLN A 203
ILE A 228
 None
C2F  A3000 (-3.5A)
C2F  A3000 (-3.6A)
C2F  A3000 (-3.9A)
C2F  A3000 (-4.6A)
 1.03A 4djeA-2ycjA:
42.0		 4djeA-2ycjA:
60.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE

(Carboxydothermus
hydrogenoformans) 		PF00809
(Pterin_bind) 		10 GLU A   7
ASN A  10
PHE A  13
ASP A  76
LEU A 123
ASP A 161
GLY A 197
SER A 199
ARG A 208
ILE A 228
 C2F  A3000 ( 4.1A)
C2F  A3000 ( 4.8A)
C2F  A3000 (-3.9A)
C2F  A3000 (-3.4A)
None
C2F  A3000 (-3.5A)
C2F  A3000 (-3.6A)
GOL  A1270 ( 3.9A)
C2F  A3000 ( 2.6A)
C2F  A3000 (-4.6A)
 0.56A 4djeA-2ycjA:
42.0		 4djeA-2ycjA:
60.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE

(Carboxydothermus
hydrogenoformans) 		PF00809
(Pterin_bind) 		9 GLU A   7
ASN A  10
PHE A  13
ASP A 161
GLY A 197
SER A 199
GLN A 203
ARG A 208
ILE A 228
 C2F  A3000 ( 4.1A)
C2F  A3000 ( 4.8A)
C2F  A3000 (-3.9A)
C2F  A3000 (-3.5A)
C2F  A3000 (-3.6A)
GOL  A1270 ( 3.9A)
C2F  A3000 (-3.9A)
C2F  A3000 ( 2.6A)
C2F  A3000 (-4.6A)
 0.81A 4djeA-2ycjA:
42.0		 4djeA-2ycjA:
60.52
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.
2z81 TOLL-LIKE RECEPTOR
2, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Mus musculus) 		PF11921
(DUF3439)
PF13306
(LRR_5)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 PHE A 120
ASP A 169
LEU A 186
GLY A 157
ILE A 156
 None
 1.49A 4djeA-2z81A:
undetectable		 4djeA-2z81A:
18.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zhh REDOX-SENSITIVE
TRANSCRIPTIONAL
ACTIVATOR SOXR

(Escherichia
coli) 		PF00376
(MerR)
PF09278
(MerR-DNA-bind) 		5 GLU A  32
LEU A  86
ASP A  52
SER A  39
ILE A  37
 None
 1.49A 4djeA-2zhhA:
undetectable		 4djeA-2zhhA:
23.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aib GLUCOSYLTRANSFERASE-
SI

(Streptococcus
mutans) 		PF02324
(Glyco_hydro_70) 		5 MET A 961
PHE A 918
ASP A1002
GLY A1008
GLN A 449
 None
 1.47A 4djeA-3aibA:
4.6		 4djeA-3aibA:
15.86
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.
3b2d CD180 ANTIGEN
LYMPHOCYTE ANTIGEN
86

(Homo sapiens;
Homo sapiens) 		PF00560
(LRR_1)
PF13855
(LRR_8)
PF02221
(E1_DerP2_DerF2) 		5 ASP A 260
LEU A 235
GLY A 231
SER C 110
ILE A 258
 None
 1.44A 4djeA-3b2dA:
undetectable		 4djeA-3b2dA:
17.30
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.
3bit FACT COMPLEX SUBUNIT
SPT16

(Saccharomyces
cerevisiae) 		PF00557
(Peptidase_M24)
PF14826
(FACT-Spt16_Nlob) 		5 ASP A 254
LEU A 231
GLY A 190
SER A 188
ILE A 292
 None
 1.30A 4djeA-3bitA:
undetectable		 4djeA-3bitA:
20.47
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.
3bol 5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE

(Thermotoga
maritima) 		PF00809
(Pterin_bind)
PF02574
(S-methyl_trans) 		8 GLU A 320
ASN A 323
ASP A 390
LEU A 437
ASP A 473
GLY A 505
SER A 507
ILE A 536
 None
 0.83A 4djeA-3bolA:
25.7		 4djeA-3bolA:
16.75
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.
3bre PROBABLE
TWO-COMPONENT
RESPONSE REGULATOR

(Pseudomonas
aeruginosa) 		PF00072
(Response_reg)
PF00990
(GGDEF) 		5 GLU A 253
ASN A 217
ASP A 226
ASP A 174
GLY A 251
 None
 1.14A 4djeA-3breA:
2.7		 4djeA-3breA:
21.76
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.
3c5h GLUCOCORTICOID
RECEPTOR DNA-BINDING
FACTOR 1

(Homo sapiens) 		PF00071
(Ras) 		5 GLU A  95
PHE A  99
ASP A 165
GLY A  34
SER A  36
 MG  A 302 ( 2.6A)
None
None
GNP  A 301 (-3.2A)
MG  A 302 ( 2.1A)
 1.23A 4djeA-3c5hA:
undetectable		 4djeA-3c5hA:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e3a POSSIBLE PEROXIDASE
BPOC

(Mycobacterium
tuberculosis) 		PF12697
(Abhydrolase_6) 		5 ASN A 150
PHE A 151
LEU A 184
GLY A  22
ILE A 174
 None
 1.49A 4djeA-3e3aA:
undetectable		 4djeA-3e3aA:
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.
3esl CHECKPOINT
SERINE/THREONINE-PRO
TEIN KINASE BUB1

(Saccharomyces
cerevisiae) 		PF08311
(Mad3_BUB1_I) 		5 ASN A 103
LEU A 214
GLY A 169
SER A 143
ARG A 179
 None
 1.39A 4djeA-3eslA:
undetectable		 4djeA-3eslA:
21.92
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.
3hje 704AA LONG
HYPOTHETICAL
GLYCOSYLTRANSFERASE

(Sulfurisphaera
tokodaii) 		PF00128
(Alpha-amylase)
PF09196
(DUF1953) 		5 GLU A 468
ASN A 467
LEU A 535
SER A 548
ILE A 472
 None
 1.44A 4djeA-3hjeA:
4.3		 4djeA-3hjeA:
16.57
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.
3k13 5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE

(Bacteroides
thetaiotaomicron) 		PF00809
(Pterin_bind) 		5 ASN A 361
ASP A 396
ASP A 519
GLY A 558
ARG A 573
 GOL  A 643 (-3.1A)
THH  A 642 ( 4.7A)
THH  A 642 (-3.4A)
THH  A 642 (-3.3A)
THH  A 642 (-3.1A)
 1.48A 4djeA-3k13A:
29.1		 4djeA-3k13A:
26.25
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.
3k13 5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE

(Bacteroides
thetaiotaomicron) 		PF00809
(Pterin_bind) 		8 GLU A 358
ASN A 361
ASP A 431
ASP A 519
GLY A 558
SER A 560
ARG A 573
ILE A 593
 THH  A 642 ( 3.5A)
GOL  A 643 (-3.1A)
THH  A 642 (-3.3A)
THH  A 642 (-3.4A)
THH  A 642 (-3.3A)
K  A 644 ( 3.4A)
THH  A 642 (-3.1A)
THH  A 642 (-4.2A)
 0.66A 4djeA-3k13A:
29.1		 4djeA-3k13A:
26.25
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.
3lpn RIBOSE-PHOSPHATE
PYROPHOSPHOKINASE

(Thermoplasma
volcanium) 		PF00156
(Pribosyltran)
PF13793
(Pribosyltran_N) 		5 ASP A 211
LEU A 242
GLY A  88
SER A 104
GLN A  92
 None
None
None
None
APC  A 287 (-3.3A)
 1.33A 4djeA-3lpnA:
3.3		 4djeA-3lpnA:
22.41
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.
3rit DIPEPTIDE EPIMERASE

(Methylococcus
capsulatus) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLU A 213
LEU A 200
ASP A 204
ARG A 316
ILE A 212
 None
 1.39A 4djeA-3ritA:
9.8		 4djeA-3ritA:
22.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3thw DNA MISMATCH REPAIR
PROTEIN MSH3

(Homo sapiens) 		PF00488
(MutS_V)
PF01624
(MutS_I)
PF05188
(MutS_II)
PF05192
(MutS_III) 		5 LEU B 423
GLY B 380
SER B 395
GLN B 397
ILE B 381
 None
 1.43A 4djeA-3thwB:
undetectable		 4djeA-3thwB:
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.
3tr9 DIHYDROPTEROATE
SYNTHASE

(Coxiella
burnetii) 		PF00809
(Pterin_bind) 		5 ASN A  35
ASP A 111
ASP A 199
GLY A 234
SER A 236
 CL  A 315 (-3.6A)
PT1  A1001 ( 3.4A)
PT1  A1001 (-3.3A)
PT1  A1001 (-3.9A)
None
 0.83A 4djeA-3tr9A:
21.7		 4djeA-3tr9A:
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.
3um9 HALOACID
DEHALOGENASE, TYPE
II

(Polaromonas sp.
JS666) 		PF13419
(HAD_2) 		5 ASP A 145
GLY A 120
GLN A  44
ARG A  41
ILE A 125
 None
None
None
SO4  A 231 ( 4.5A)
None
 1.45A 4djeA-3um9A:
undetectable		 4djeA-3um9A:
23.66
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.
3vil BETA-GLUCOSIDASE

(Neotermes
koshunensis) 		PF00232
(Glyco_hydro_1) 		5 LEU A 189
GLY A 440
GLN A 100
ARG A 490
ILE A 439
 None
 1.04A 4djeA-3vilA:
10.3		 4djeA-3vilA:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vns NRPS ADENYLATION
PROTEIN CYTC1

(Streptomyces
sp.) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 ASP A   9
LEU A  20
GLY A 221
SER A 194
ARG A 275
 None
 1.31A 4djeA-3vnsA:
undetectable		 4djeA-3vnsA:
17.25
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.
3wrf NON-REDUCING END
BETA-L-ARABINOFURANO
SIDASE

(Bifidobacterium
longum) 		PF07944
(Glyco_hydro_127) 		5 MET A   1
PHE A 455
ASP A 430
LEU A 425
SER A 445
 None
 1.48A 4djeA-3wrfA:
undetectable		 4djeA-3wrfA:
18.21
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.
3zx2 ECTONUCLEOSIDE
TRIPHOSPHATE
DIPHOSPHOHYDROLASE 1

(Rattus
norvegicus) 		PF01150
(GDA1_CD39) 		5 PHE A 364
ASP A 212
GLY A  56
SER A  58
GLN A  85
 None
 0.91A 4djeA-3zx2A:
undetectable		 4djeA-3zx2A:
19.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bmv SHORT-CHAIN
DEHYDROGENASE

(Sphingobium
yanoikuyae) 		PF00106
(adh_short) 		5 LEU A 215
GLY A  17
SER A  14
ARG A  40
ILE A  16
 None
None
NAP  A 300 (-2.6A)
None
NAP  A 300 (-4.0A)
 1.27A 4djeA-4bmvA:
2.5		 4djeA-4bmvA:
23.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ccz METHIONINE SYNTHASE

(Homo sapiens) 		PF00809
(Pterin_bind)
PF02574
(S-methyl_trans) 		8 GLU A 376
ASN A 379
ASP A 449
ASP A 537
GLY A 576
SER A 578
ARG A 591
ILE A 611
 THG  A1652 (-3.5A)
THG  A1652 (-4.6A)
THG  A1652 (-3.4A)
THG  A1652 (-3.4A)
THG  A1652 (-3.6A)
THG  A1652 (-4.2A)
THG  A1652 (-3.0A)
THG  A1652 (-4.2A)
 0.77A 4djeA-4cczA:
29.6		 4djeA-4cczA:
18.71
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.
4l1k D-ALANINE--D-ALANINE
LIGASE

(Xanthomonas
oryzae) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		5 ASN A 317
LEU A 342
GLY A 297
SER A 130
GLN A 117
 None
 1.26A 4djeA-4l1kA:
undetectable		 4djeA-4l1kA:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lrs 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
ACETALDEHYDE
DEHYDROGENASE

(Thermomonospora
curvata;
Thermomonospora
curvata) 		PF00682
(HMGL-like)
PF07836
(DmpG_comm)
PF01118
(Semialdhyde_dh)
PF09290
(AcetDehyd-dimer) 		5 GLU B 168
PHE A  68
ASP A  57
ARG B 205
ILE B 209
 None
 1.48A 4djeA-4lrsB:
undetectable		 4djeA-4lrsB:
24.05
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.
4lvq PHOSPHATE-BINDING
PROTEIN PSTS 3

(Mycobacterium
tuberculosis) 		PF12849
(PBP_like_2) 		5 ASN A 125
GLY A  89
SER A  86
GLN A  59
ILE A  90
 None
None
PO4  A 401 (-2.7A)
None
None
 1.39A 4djeA-4lvqA:
undetectable		 4djeA-4lvqA:
20.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n8g TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Chromohalobacter
salexigens) 		PF03480
(DctP) 		5 GLU A 279
ASP A 283
LEU A 235
ASP A 157
GLY A 154
 None
None
None
None
CL  A 401 (-4.1A)
 1.41A 4djeA-4n8gA:
undetectable		 4djeA-4n8gA:
25.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4o1e DIHYDROPTEROATE
SYNTHASE DHPS

(Desulfitobacterium
hafniense) 		PF00809
(Pterin_bind) 		7 ASN A  10
ASP A  76
ASP A 161
GLY A 196
SER A 198
ARG A 207
ILE A 227
 C2F  A3000 ( 4.5A)
C2F  A3000 (-3.6A)
C2F  A3000 (-3.5A)
C2F  A3000 (-3.5A)
C2F  A3000 ( 3.8A)
None
C2F  A3000 (-4.3A)
 1.18A 4djeA-4o1eA:
34.0		 4djeA-4o1eA:
32.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4o1e DIHYDROPTEROATE
SYNTHASE DHPS

(Desulfitobacterium
hafniense) 		PF00809
(Pterin_bind) 		7 ASN A  10
ASP A  76
LEU A 123
ASP A 161
GLY A 196
ARG A 207
ILE A 227
 C2F  A3000 ( 4.5A)
C2F  A3000 (-3.6A)
None
C2F  A3000 (-3.5A)
C2F  A3000 (-3.5A)
None
C2F  A3000 (-4.3A)
 1.00A 4djeA-4o1eA:
34.0		 4djeA-4o1eA:
32.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4o1e DIHYDROPTEROATE
SYNTHASE DHPS

(Desulfitobacterium
hafniense) 		PF00809
(Pterin_bind) 		7 GLU A   7
ASN A  10
ASP A  76
LEU A 123
ASP A 161
GLY A 196
ILE A 227
 C2F  A3000 (-3.6A)
C2F  A3000 ( 4.5A)
C2F  A3000 (-3.6A)
None
C2F  A3000 (-3.5A)
C2F  A3000 (-3.5A)
C2F  A3000 (-4.3A)
 0.66A 4djeA-4o1eA:
34.0		 4djeA-4o1eA:
32.31
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.
4oet PUTATIVE PEPTIDE
ABC-TRANSPORT SYSTEM
PERIPLASMIC
PEPTIDE-BINDING
PROTEIN

(Campylobacter
jejuni) 		PF00496
(SBP_bac_5) 		5 PHE A 372
ASP A 341
LEU A 460
ASP A 240
GLY A 383
 None
None
None
None
GOL  A 505 (-3.9A)
 1.47A 4djeA-4oetA:
undetectable		 4djeA-4oetA:
19.71
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.
4uir OLEATE HYDRATASE

(Elizabethkingia
meningoseptica) 		PF06100
(MCRA) 		5 LEU A 277
GLY A  71
SER A 104
ARG A 118
ILE A  72
 None
FAD  A 701 (-3.6A)
FAD  A 701 (-2.3A)
None
FAD  A 701 (-4.8A)
 1.48A 4djeA-4uirA:
undetectable		 4djeA-4uirA:
17.62
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.
4wts BETA-1,3-GLUCANOSYLT
RANSFERASE

(Rhizomucor
miehei) 		PF00332
(Glyco_hydro_17) 		5 ASN A 152
PHE A 154
ASP A 133
ASP A 105
ARG A 238
 BGC  A 303 (-4.1A)
BGC  A 303 (-4.0A)
None
None
BGC  A 303 (-2.6A)
 1.41A 4djeA-4wtsA:
7.2		 4djeA-4wtsA:
21.65
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.
4yfa PROTEIN RELATED TO
PENICILLIN ACYLASE
PROTEIN RELATED TO
PENICILLIN ACYLASE

(Acidovorax sp.
MR-S7;
Acidovorax sp.
MR-S7) 		PF01804
(Penicil_amidase)
PF01804
(Penicil_amidase) 		5 ASN A 160
ASP C 206
GLY C 208
GLN C 256
ILE C 187
 None
 1.39A 4djeA-4yfaA:
undetectable		 4djeA-4yfaA:
20.30
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.
4ypv EST8

(Parvibaculum) 		PF07859
(Abhydrolase_3) 		5 ASN A 287
LEU A  81
GLY A 162
SER A 159
ILE A 186
 None
 1.46A 4djeA-4ypvA:
undetectable		 4djeA-4ypvA:
23.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zmm DIGUANYLATE CYCLASE

(Pseudomonas
aeruginosa) 		PF00990
(GGDEF) 		5 GLU A 262
ASN A 227
ASP A 236
ASP A 184
GLY A 260
 None
 1.15A 4djeA-4zmmA:
undetectable		 4djeA-4zmmA:
24.28
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.
4zqi D-ALANINE--D-ALANINE
LIGASE

(Yersinia pestis) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		5 ASN A 272
LEU A 297
GLY A 252
SER A  86
GLN A  73
 None
 1.43A 4djeA-4zqiA:
undetectable		 4djeA-4zqiA:
23.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c9i PROTEIN RELATED TO
PENICILLIN ACYLASE

(Acidovorax sp.
MR-S7) 		PF01804
(Penicil_amidase) 		5 ASN A 160
ASP A 408
GLY A 410
GLN A 458
ILE A 389
 None
 1.41A 4djeA-5c9iA:
undetectable		 4djeA-5c9iA:
15.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cju ISOBUTYRYL-COA
MUTASE FUSED

(Cupriavidus
metallidurans) 		PF01642
(MM_CoA_mutase)
PF02310
(B12-binding)
PF03308
(ArgK) 		5 GLU A 310
MET A 266
LEU A 415
GLY A 213
ILE A 214
 MG  A1105 (-3.2A)
None
None
None
None
 1.47A 4djeA-5cjuA:
8.4		 4djeA-5cjuA:
13.28
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.
5csl ACETYL-COA
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF01039
(Carboxyl_trans)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2)
PF08326
(ACC_central) 		5 MET A1564
ASP A1601
GLY A1734
SER A1732
ILE A1735
 None
None
COA  A2303 (-3.5A)
None
None
 1.42A 4djeA-5cslA:
undetectable		 4djeA-5cslA:
7.81
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.
5dzz DESMOPLAKIN

(Homo sapiens) 		PF00681
(Plectin) 		5 PHE A2172
LEU A2153
GLY A2133
SER A2131
ILE A2129
 None
 1.50A 4djeA-5dzzA:
undetectable		 4djeA-5dzzA:
20.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5efn HDAC6 PROTEIN

(Danio rerio) 		no annotation 5 GLU B 465
PHE B 533
ASP B 710
GLY B 744
GLN B 468
 None
 1.43A 4djeA-5efnB:
undetectable		 4djeA-5efnB:
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.
5fq6 SUSC/RAGA FAMILY
TONB-LINKED OUTER
MEMBRANE PROTEIN

(Bacteroides
thetaiotaomicron) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 ASN B 313
PHE B 384
ASP B 269
GLY B 299
SER B 310
 None
 1.43A 4djeA-5fq6B:
undetectable		 4djeA-5fq6B:
13.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fxn THERMOLYSIN

(Bacillus
thermoproteolyticus) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		5 GLU A 177
ASN A 183
ASP A  72
GLY A 136
ILE A 137
 CA  A1321 ( 2.3A)
None
None
None
None
 1.20A 4djeA-5fxnA:
undetectable		 4djeA-5fxnA:
22.32
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.
5gwo PROBABLE PROTEIN
PHOSPHATASE 2C 50

(Oryza sativa) 		PF00481
(PP2C) 		5 ASN A 369
ASP A 118
LEU A 268
ASP A 276
GLY A 121
 None
MG  A 403 ( 2.4A)
None
None
None
 1.46A 4djeA-5gwoA:
undetectable		 4djeA-5gwoA:
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.
5nec TONB-DEPENDENT
SIDEROPHORE RECEPTOR

(Pseudomonas
aeruginosa) 		no annotation 5 ASN A 320
LEU A 269
ASP A 411
GLY A 394
ILE A 393
 None
 1.32A 4djeA-5necA:
undetectable		 4djeA-5necA:
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.
5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE

(Thermus
thermophilus) 		no annotation 6 ASN A 376
ASP A 411
LEU A 492
ASP A 531
GLY A 570
ARG A 583
 NA  A3005 (-3.0A)
C2F  A3001 ( 3.8A)
None
C2F  A3001 (-2.5A)
C2F  A3001 (-3.5A)
C2F  A3001 (-3.0A)
 1.40A 4djeA-5vopA:
30.1		 4djeA-5vopA:
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.
5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE

(Thermus
thermophilus) 		no annotation 9 GLU A 373
ASN A 376
ASP A 443
LEU A 492
ASP A 531
GLY A 570
SER A 572
ARG A 583
ILE A 603
 C2F  A3001 (-3.7A)
NA  A3005 (-3.0A)
C2F  A3001 (-2.5A)
None
C2F  A3001 (-2.5A)
C2F  A3001 (-3.5A)
C2F  A3001 ( 4.5A)
C2F  A3001 (-3.0A)
C2F  A3001 (-3.5A)
 0.59A 4djeA-5vopA:
30.1		 4djeA-5vopA:
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.
5xb7 BETA-GALACTOSIDASE

(Bifidobacterium
animalis) 		no annotation 5 MET A 343
LEU A  68
GLY A 145
GLN A 147
ILE A 144
 None
 1.26A 4djeA-5xb7A:
10.0		 4djeA-5xb7A:
17.92
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.
6bb4 MOUSE MONOCLONAL
ANTIBODY C5.2 FAB
HEAVY CHAIN
MOUSE MONOCLONAL
ANTIBODY C5.2 FAB
LIGHT CHAIN

(Mus musculus;
Mus musculus) 		no annotation
no annotation 		5 ASN H  60
MET H  62
PHE H  63
ASP L   1
ARG H  40
 None
 1.27A 4djeA-6bb4H:
undetectable		 4djeA-6bb4H:
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.
6c1d UNCONVENTIONAL
MYOSIN-IB

(Rattus
norvegicus) 		no annotation 5 GLU P 409
ASN P 405
PHE P 391
LEU P 479
ILE P 449
 None
 1.09A 4djeA-6c1dP:
undetectable		 4djeA-6c1dP:
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.
6d6q EXOSOME COMPLEX
COMPONENT RRP42

(Homo sapiens) 		no annotation 5 GLU E 278
ASN E 162
PHE E 161
ASP E  40
GLY E 281
 None
 1.47A 4djeA-6d6qE:
undetectable		 4djeA-6d6qE:
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.
6emk SERINE/THREONINE-PRO
TEIN KINASE TOR2

(Saccharomyces
cerevisiae) 		no annotation 5 GLU A 425
PHE A 383
LEU A 478
GLY A 427
SER A 429
 None
 1.34A 4djeA-6emkA:
undetectable		 4djeA-6emkA:
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.
6eon BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		no annotation 5 GLU A 525
ASN A 523
LEU A 406
ASP A 462
GLY A 435
 None
 1.32A 4djeA-6eonA:
7.7		 4djeA-6eonA:
15.53
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.
6fsh OXYB PROTEIN

(Actinoplanes
teichomyceticus) 		no annotation 5 LEU A 371
GLY A 246
SER A 242
GLN A 356
ILE A 140
 None
 1.18A 4djeA-6fshA:
undetectable		 4djeA-6fshA:
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.
6fvs CYS-LOOP
LIGAND-GATED ION
CHANNEL

(endosymbiont of
Tevnia
jerichonana) 		no annotation 5 GLU A 106
PHE A  78
LEU A 153
GLY A  34
GLN A  83
 None
 1.44A 4djeA-6fvsA:
undetectable		 4djeA-6fvsA:
undetectable