SIMILAR PATTERNS OF AMINO ACIDS FOR 2YCJ_A_C2FA3000_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.
1ajz DIHYDROPTEROATE
SYNTHASE

(Escherichia
coli) 		PF00809
(Pterin_bind) 		5 ASP A  56
ASN A 115
ASP A 185
GLY A 217
SER A 219
 None
 1.14A 2ycjA-1ajzA:
21.2		 2ycjA-1ajzA:
24.61
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.
1bx0 PROTEIN
(FERREDOXIN:NADP+
OXIDOREDUCTASE)

(Spinacia
oleracea) 		PF00175
(NAD_binding_1) 		5 ILE A 174
LEU A 200
GLY A 203
SER A 234
GLN A 237
 None
None
None
PO4  A 316 (-3.1A)
None
 1.15A 2ycjA-1bx0A:
undetectable		 2ycjA-1bx0A:
23.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1eye DIHYDROPTEROATE
SYNTHASE I

(Mycobacterium
tuberculosis) 		PF00809
(Pterin_bind) 		5 ASP A  47
ASN A 105
ASP A 177
GLY A 209
SER A 211
 None
PMM  A 301 (-2.9A)
PMM  A 301 (-3.1A)
PMM  A 301 (-3.5A)
None
 1.27A 2ycjA-1eyeA:
21.2		 2ycjA-1eyeA:
23.00
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.
1eye DIHYDROPTEROATE
SYNTHASE I

(Mycobacterium
tuberculosis) 		PF00809
(Pterin_bind) 		5 ASP A  86
ASN A 105
ASP A 177
GLY A 209
SER A 211
 PMM  A 301 (-3.2A)
PMM  A 301 (-2.9A)
PMM  A 301 (-3.1A)
PMM  A 301 (-3.5A)
None
 0.71A 2ycjA-1eyeA:
21.2		 2ycjA-1eyeA:
23.00
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) 		5 ASP A 160
GLY A 196
SER A 198
GLN A 202
ILE A 227
 None
 0.80A 2ycjA-1f6yA:
41.8		 2ycjA-1f6yA:
59.78
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) 		6 MET A  11
PHE A  12
ASP A  43
ILE A 120
ASP A 160
GLY A 196
 None
 1.37A 2ycjA-1f6yA:
41.8		 2ycjA-1f6yA:
59.78
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) 		10 MET A  11
PHE A  12
ASP A  75
ASN A  96
ILE A 120
LEU A 122
ASP A 160
GLY A 196
SER A 198
ILE A 227
 None
 0.40A 2ycjA-1f6yA:
41.8		 2ycjA-1f6yA:
59.78
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) 		6 MET A  11
PHE A  12
LEU A 122
ASP A 160
SER A 198
ASN A 199
 None
 0.92A 2ycjA-1f6yA:
41.8		 2ycjA-1f6yA:
59.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h2b ALCOHOL
DEHYDROGENASE

(Aeropyrum
pernix) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ASP A  57
ILE A 339
LEU A 357
GLY A 136
ASN A  81
 None
 1.11A 2ycjA-1h2bA:
undetectable		 2ycjA-1h2bA:
20.77
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.
1lq2 BETA-D-GLUCAN
GLUCOHYDROLASE
ISOENZYME EXO1

(Hordeum vulgare) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C) 		5 ILE A 177
LEU A 180
SER A 162
ASN A 112
ILE A 148
 None
 1.14A 2ycjA-1lq2A:
10.0		 2ycjA-1lq2A:
18.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ps9 2,4-DIENOYL-COA
REDUCTASE

(Escherichia
coli) 		PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2) 		5 ILE A 533
LEU A 543
GLY A 250
SER A 163
ILE A 249
 None
 1.29A 2ycjA-1ps9A:
6.4		 2ycjA-1ps9A:
19.60
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.
1qgz PROTEIN
(FERREDOXIN:NADP+
REDUCTASE)

(Nostoc sp. PCC
7119) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 ILE A 159
LEU A 189
GLY A 192
SER A 223
GLN A 226
 None
None
None
SO4  A 307 (-2.6A)
None
 1.19A 2ycjA-1qgzA:
undetectable		 2ycjA-1qgzA:
24.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qve FIMBRIAL PROTEIN

(Pseudomonas
aeruginosa) 		PF00114
(Pilin) 		5 ASP A  70
ASN A  60
ILE A  67
LEU A  43
GLY A  84
 None
 1.30A 2ycjA-1qveA:
undetectable		 2ycjA-1qveA:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ry6 INTERNAL KINESIN

(Plasmodium
falciparum) 		PF00225
(Kinesin) 		5 PHE A  89
ILE A 124
LEU A 187
ASN A 217
ILE A 232
 None
 1.31A 2ycjA-1ry6A:
undetectable		 2ycjA-1ry6A:
21.71
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.
1tba TRANSCRIPTION
INITIATION FACTOR
IID 230K CHAIN
TRANSCRIPTION
INITIATION FACTOR
TFIID

(Drosophila
melanogaster;
Saccharomyces
cerevisiae) 		PF09247
(TBP-binding)
PF00352
(TBP) 		5 PHE B 207
LEU A  68
ASP A  19
GLY A  57
ILE A  56
 None
 1.28A 2ycjA-1tbaB:
undetectable		 2ycjA-1tbaB:
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.
1tjy SUGAR TRANSPORT
PROTEIN

(Salmonella
enterica) 		PF13407
(Peripla_BP_4) 		5 ASP A 118
ILE A 128
GLY A 320
ASN A 319
ILE A 321
 None
 0.98A 2ycjA-1tjyA:
2.7		 2ycjA-1tjyA:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tt7 YHFP

(Bacillus
subtilis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 PHE A   5
ILE A  43
LEU A 314
ASP A  47
GLY A  66
 None
 1.30A 2ycjA-1tt7A:
undetectable		 2ycjA-1tt7A:
19.89
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.
1tww DHPS,
DIHYDROPTEROATE
SYNTHASE

(Bacillus
anthracis) 		PF00809
(Pterin_bind) 		5 ASP A  61
ASN A 120
ILE A 143
ASP A 184
GLY A 216
 None
HH2  A 282 (-2.7A)
HH2  A 282 (-4.1A)
HH2  A 282 (-3.1A)
HH2  A 282 (-3.3A)
 1.17A 2ycjA-1twwA:
23.2		 2ycjA-1twwA:
26.81
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.
1tww DHPS,
DIHYDROPTEROATE
SYNTHASE

(Bacillus
anthracis) 		PF00809
(Pterin_bind) 		6 ASP A 101
ASN A 120
ILE A 143
ASP A 184
GLY A 216
SER A 218
 HH2  A 282 (-3.4A)
HH2  A 282 (-2.7A)
HH2  A 282 (-4.1A)
HH2  A 282 (-3.1A)
HH2  A 282 (-3.3A)
None
 0.70A 2ycjA-1twwA:
23.2		 2ycjA-1twwA:
26.81
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.
1v5c CHITOSANASE

(Bacillus sp.
(in: Bacteria)) 		PF01270
(Glyco_hydro_8) 		5 PHE A 293
ASN A 223
ILE A 219
LEU A 163
GLY A 184
 None
 1.27A 2ycjA-1v5cA:
undetectable		 2ycjA-1v5cA:
21.23
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.
1vtk THYMIDINE KINASE

(Human
alphaherpesvirus
1) 		PF00693
(Herpes_TK) 		5 PHE A 292
ILE A 203
LEU A 205
ASP A  55
ILE A 166
 None
 1.19A 2ycjA-1vtkA:
undetectable		 2ycjA-1vtkA:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wyt GLYCINE
DEHYDROGENASE
(DECARBOXYLATING)
SUBUNIT 1

(Thermus
thermophilus) 		PF02347
(GDC-P) 		5 ILE A 310
GLY A 284
SER A 129
ASN A 127
ILE A 319
 None
 1.27A 2ycjA-1wytA:
undetectable		 2ycjA-1wytA:
19.18
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.
2b5o FERREDOXIN--NADP
REDUCTASE

(Synechococcus
sp. PCC 7002) 		PF00175
(NAD_binding_1) 		5 ILE A 262
LEU A 288
GLY A 291
SER A 322
GLN A 325
 None
 1.18A 2ycjA-2b5oA:
undetectable		 2ycjA-2b5oA:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bmb FOLIC ACID SYNTHESIS
PROTEIN FOL1

(Saccharomyces
cerevisiae) 		PF00809
(Pterin_bind)
PF01288
(HPPK) 		6 ASP A 591
ASN A 655
ILE A 679
ASP A 755
GLY A 803
SER A 805
 None
PMM  A1865 (-2.9A)
PMM  A1865 ( 4.7A)
PMM  A1865 (-3.2A)
PMM  A1865 (-3.5A)
None
 1.26A 2ycjA-2bmbA:
20.4		 2ycjA-2bmbA:
19.20
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.
2bmb FOLIC ACID SYNTHESIS
PROTEIN FOL1

(Saccharomyces
cerevisiae) 		PF00809
(Pterin_bind)
PF01288
(HPPK) 		6 ASP A 636
ASN A 655
ILE A 679
ASP A 755
GLY A 803
SER A 805
 PMM  A1865 (-3.3A)
PMM  A1865 (-2.9A)
PMM  A1865 ( 4.7A)
PMM  A1865 (-3.2A)
PMM  A1865 (-3.5A)
None
 0.73A 2ycjA-2bmbA:
20.4		 2ycjA-2bmbA:
19.20
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.
2dqw DIHYDROPTEROATE
SYNTHASE

(Thermus
thermophilus) 		PF00809
(Pterin_bind) 		5 ASP A 109
ASN A 128
ASP A 197
GLY A 229
SER A 231
 None
 1.11A 2ycjA-2dqwA:
21.4		 2ycjA-2dqwA:
23.64
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.
2f5x BUGD

(Bordetella
pertussis) 		PF03401
(TctC) 		5 LEU A 268
ASP A  98
GLY A 224
GLN A 287
ILE A 225
 None
 1.20A 2ycjA-2f5xA:
undetectable		 2ycjA-2f5xA:
21.12
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.
2ft3 BIGLYCAN

(Bos taurus) 		PF01462
(LRRNT)
PF13855
(LRR_8) 		5 ILE A 208
ASP A 212
GLY A 186
ASN A 161
ILE A 205
 None
 1.25A 2ycjA-2ft3A:
undetectable		 2ycjA-2ft3A:
22.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g02 NISIN BIOSYNTHESIS
PROTEIN NISC

(Lactococcus
lactis) 		PF05147
(LANC_like) 		5 PHE A  34
ILE A  98
GLY A  93
SER A  86
ILE A  94
 None
 1.28A 2ycjA-2g02A:
undetectable		 2ycjA-2g02A:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ivp O-SIALOGLYCOPROTEIN
ENDOPEPTIDASE

(Pyrococcus
abyssi) 		PF00814
(Peptidase_M22) 		5 ILE A  38
LEU A  80
GLY A 131
ASN A 132
GLN A 134
 None
None
ATP  A1327 (-3.5A)
ATP  A1327 (-4.4A)
None
 1.18A 2ycjA-2ivpA:
undetectable		 2ycjA-2ivpA:
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.
2j4d CRYPTOCHROME DASH

(Arabidopsis
thaliana) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		5 MET A 246
PHE A 248
ASN A 379
ILE A 396
SER A 285
 None
None
None
None
FAD  A1498 (-2.6A)
 1.23A 2ycjA-2j4dA:
undetectable		 2ycjA-2j4dA:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jnk HYALURONONGLUCOSAMIN
IDASE

(Clostridium
perfringens) 		PF00404
(Dockerin_1)
PF07554
(FIVAR) 		5 ASN A 101
ILE A 118
LEU A 110
ASP A 111
GLY A 116
 None
 1.26A 2ycjA-2jnkA:
undetectable		 2ycjA-2jnkA:
16.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oqh PUTATIVE ISOMERASE

(Streptomyces
coelicolor) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A 334
LEU A  15
ASP A 333
GLY A 303
ILE A 304
 None
 1.05A 2ycjA-2oqhA:
10.3		 2ycjA-2oqhA:
21.01
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.
2pyy IONOTROPIC GLUTAMATE
RECEPTOR BACTERIAL
HOMOLOGUE

(Nostoc
punctiforme) 		PF00497
(SBP_bac_3) 		5 PHE A 219
ILE A 198
LEU A  64
GLY A 185
ILE A  85
 None
 1.32A 2ycjA-2pyyA:
undetectable		 2ycjA-2pyyA:
21.51
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.
2qtk PROBABLE PORIN

(Pseudomonas
aeruginosa) 		PF03573
(OprD) 		5 ASP A 123
ASP A 289
GLY A 293
ASN A 292
GLN A 379
 None
 1.33A 2ycjA-2qtkA:
undetectable		 2ycjA-2qtkA:
21.12
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.
2vef DIHYDROPTEROATE
SYNTHASE

(Streptococcus
pneumoniae) 		PF00809
(Pterin_bind) 		5 ASP A  51
ASN A 110
ASP A 201
GLY A 233
SER A 235
 None
 1.25A 2ycjA-2vefA:
21.1		 2ycjA-2vefA:
24.23
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.
2vef DIHYDROPTEROATE
SYNTHASE

(Streptococcus
pneumoniae) 		PF00809
(Pterin_bind) 		5 ASP A  91
ASN A 110
ASP A 201
GLY A 233
SER A 235
 None
 0.75A 2ycjA-2vefA:
21.1		 2ycjA-2vefA:
24.23
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.
2y5j DIHYDROPTEROATE
SYNTHASE

(Burkholderia
cenocepacia) 		PF00809
(Pterin_bind) 		5 ASP A 101
ASN A 120
ASP A 191
GLY A 229
SER A 231
 None
None
None
None
EDO  A1294 (-2.6A)
 0.77A 2ycjA-2y5jA:
20.7		 2ycjA-2y5jA:
25.40
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) 		6 MET A  12
ASP A  76
ASN A  97
ILE A 121
LEU A 123
ASP A 161
 None
C2F  A3000 (-3.4A)
C2F  A3000 (-3.0A)
C2F  A3000 ( 4.2A)
None
C2F  A3000 (-3.5A)
 1.14A 2ycjA-2ycjA:
51.2		 2ycjA-2ycjA:
100.00
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) 		7 PHE A  13
ASP A  44
ILE A 121
ASP A 161
GLY A 197
ASN A 200
GLN A 203
 C2F  A3000 (-3.9A)
C2F  A3000 ( 4.5A)
C2F  A3000 ( 4.2A)
C2F  A3000 (-3.5A)
C2F  A3000 (-3.6A)
C2F  A3000 (-3.1A)
C2F  A3000 (-3.9A)
 1.25A 2ycjA-2ycjA:
51.2		 2ycjA-2ycjA:
100.00
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) 		11 PHE A  13
ASP A  76
ASN A  97
ILE A 121
LEU A 123
ASP A 161
GLY A 197
SER A 199
ASN A 200
GLN A 203
ILE A 228
 C2F  A3000 (-3.9A)
C2F  A3000 (-3.4A)
C2F  A3000 (-3.0A)
C2F  A3000 ( 4.2A)
None
C2F  A3000 (-3.5A)
C2F  A3000 (-3.6A)
GOL  A1270 ( 3.9A)
C2F  A3000 (-3.1A)
C2F  A3000 (-3.9A)
C2F  A3000 (-4.6A)
 0.00A 2ycjA-2ycjA:
51.2		 2ycjA-2ycjA:
100.00
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 PHE A  13
LEU A 163
ASP A 161
GLY A 197
ILE A 228
 C2F  A3000 (-3.9A)
None
C2F  A3000 (-3.5A)
C2F  A3000 (-3.6A)
C2F  A3000 (-4.6A)
 1.26A 2ycjA-2ycjA:
51.2		 2ycjA-2ycjA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z87 CHONDROITIN SYNTHASE

(Escherichia
coli) 		PF00535
(Glycos_transf_2) 		5 PHE A 585
ASP A 607
ILE A 600
GLY A 500
ASN A 504
 None
 0.97A 2ycjA-2z87A:
undetectable		 2ycjA-2z87A:
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.
3b05 ISOPENTENYL-DIPHOSPH
ATE DELTA-ISOMERASE

(Sulfolobus
shibatae) 		PF01070
(FMN_dh) 		5 PHE A 269
ASP A 150
ILE A 147
GLY A  93
ILE A 123
 None
 1.31A 2ycjA-3b05A:
4.8		 2ycjA-3b05A:
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.
3b1f PUTATIVE PREPHENATE
DEHYDROGENASE

(Streptococcus
mutans) 		PF02153
(PDH) 		5 PHE A  79
ILE A  22
LEU A 166
GLY A  15
ILE A   8
 None
 1.14A 2ycjA-3b1fA:
2.7		 2ycjA-3b1fA:
20.26
Potential target for repurposing, i.e. matched protein structure has less than 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 ILE A 225
LEU A 231
GLY A 190
SER A 188
ILE A 292
 None
 1.29A 2ycjA-3bitA:
undetectable		 2ycjA-3bitA:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bol 5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE

(Thermotoga
maritima) 		PF00809
(Pterin_bind)
PF02574
(S-methyl_trans) 		7 ASN A 411
ILE A 435
LEU A 437
ASP A 473
GLY A 505
SER A 507
ASN A 508
 None
 0.87A 2ycjA-3bolA:
27.1		 2ycjA-3bolA:
19.14
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.
3bol 5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE

(Thermotoga
maritima) 		PF00809
(Pterin_bind)
PF02574
(S-methyl_trans) 		5 ASP A 358
ASN A 411
ILE A 435
ASP A 473
GLY A 505
 None
 1.24A 2ycjA-3bolA:
27.1		 2ycjA-3bolA:
19.14
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.
3bol 5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE

(Thermotoga
maritima) 		PF00809
(Pterin_bind)
PF02574
(S-methyl_trans) 		8 ASP A 390
ASN A 411
ILE A 435
LEU A 437
ASP A 473
GLY A 505
SER A 507
ILE A 536
 None
 0.61A 2ycjA-3bolA:
27.1		 2ycjA-3bolA:
19.14
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.
3d8p ACETYLTRANSFERASE OF
GNAT FAMILY

(Staphylococcus
aureus) 		PF13673
(Acetyltransf_10) 		5 PHE A 146
ASP A  39
ILE A  43
LEU A  16
GLY A  69
 None
 1.27A 2ycjA-3d8pA:
undetectable		 2ycjA-3d8pA:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3elk PUTATIVE
TRANSCRIPTIONAL
REGULATOR TA0346

(Thermoplasma
acidophilum) 		PF03551
(PadR) 		5 ILE A  19
LEU A  23
GLY A  30
GLN A  75
ILE A  50
 None
 1.09A 2ycjA-3elkA:
undetectable		 2ycjA-3elkA:
16.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fj4 MUCONATE
CYCLOISOMERASE

(Pseudomonas
protegens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A 340
LEU A  18
ASP A 339
GLY A 308
ILE A 309
 None
 1.08A 2ycjA-3fj4A:
6.3		 2ycjA-3fj4A:
20.05
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.
3k13 5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE

(Bacteroides
thetaiotaomicron) 		PF00809
(Pterin_bind) 		5 ASP A 396
ASP A 519
GLY A 558
SER A 560
ASN A 561
 THH  A 642 ( 4.7A)
THH  A 642 (-3.4A)
THH  A 642 (-3.3A)
K  A 644 ( 3.4A)
THH  A 642 ( 3.3A)
 0.84A 2ycjA-3k13A:
29.6		 2ycjA-3k13A:
29.17
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.
3k13 5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE

(Bacteroides
thetaiotaomicron) 		PF00809
(Pterin_bind) 		7 ASP A 431
ASN A 452
ASP A 519
GLY A 558
SER A 560
ASN A 561
ILE A 593
 THH  A 642 (-3.3A)
THH  A 642 (-3.0A)
THH  A 642 (-3.4A)
THH  A 642 (-3.3A)
K  A 644 ( 3.4A)
THH  A 642 ( 3.3A)
THH  A 642 (-4.2A)
 0.28A 2ycjA-3k13A:
29.6		 2ycjA-3k13A:
29.17
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.
3kd8 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Thermoplasma
acidophilum) 		PF01676
(Metalloenzyme)
PF10143
(PhosphMutase) 		5 ILE A 390
GLY A  44
SER A 375
ASN A  43
ILE A 355
 None
 1.27A 2ycjA-3kd8A:
undetectable		 2ycjA-3kd8A:
19.39
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.
3lf2 SHORT CHAIN
OXIDOREDUCTASE
Q9HYA2

(Pseudomonas
aeruginosa) 		PF13561
(adh_short_C2) 		5 ILE A 239
LEU A 240
GLY A  21
SER A  18
ILE A  20
 None
None
None
NDP  A 301 (-3.7A)
None
 1.33A 2ycjA-3lf2A:
2.5		 2ycjA-3lf2A:
21.69
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.
3o7q L-FUCOSE-PROTON
SYMPORTER

(Escherichia
coli) 		PF07690
(MFS_1) 		5 ASP A  46
GLY A 165
SER A 163
ASN A 162
GLN A 159
 None
None
None
BNG  A 439 (-2.9A)
BNG  A 439 ( 4.4A)
 1.35A 2ycjA-3o7qA:
undetectable		 2ycjA-3o7qA:
19.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pl2 SUGAR KINASE,
RIBOKINASE FAMILY

(Corynebacterium
glutamicum) 		PF00294
(PfkB) 		5 PHE A 111
ASN A 258
GLY A 261
SER A  42
ASN A  45
 None
 1.33A 2ycjA-3pl2A:
2.8		 2ycjA-3pl2A:
21.64
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.
3tr9 DIHYDROPTEROATE
SYNTHASE

(Coxiella
burnetii) 		PF00809
(Pterin_bind) 		5 ASP A  67
ASN A 130
ASP A 199
GLY A 234
SER A 236
 None
PT1  A1001 ( 2.9A)
PT1  A1001 (-3.3A)
PT1  A1001 (-3.9A)
None
 1.27A 2ycjA-3tr9A:
21.8		 2ycjA-3tr9A:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tr9 DIHYDROPTEROATE
SYNTHASE

(Coxiella
burnetii) 		PF00809
(Pterin_bind) 		5 ASP A 111
ASN A 130
ASP A 199
GLY A 234
SER A 236
 PT1  A1001 ( 3.4A)
PT1  A1001 ( 2.9A)
PT1  A1001 (-3.3A)
PT1  A1001 (-3.9A)
None
 0.83A 2ycjA-3tr9A:
21.8		 2ycjA-3tr9A:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v8b PUTATIVE
DEHYDROGENASE,
POSSIBLY
3-OXOACYL-[ACYL-CARR
IER PROTEIN]
REDUCTASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		5 ILE A 234
LEU A  25
GLY A  18
SER A  15
ILE A  17
 None
 1.24A 2ycjA-3v8bA:
2.8		 2ycjA-3v8bA:
19.53
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.
3vo2 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Zea mays) 		PF00175
(NAD_binding_1) 		5 ILE A 174
LEU A 200
GLY A 203
SER A 234
GLN A 237
 None
 1.19A 2ycjA-3vo2A:
undetectable		 2ycjA-3vo2A:
24.54
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.
3w5v FERREDOXIN

(Zea mays) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 ILE A 174
LEU A 200
GLY A 203
SER A 234
GLN A 237
 None
 1.14A 2ycjA-3w5vA:
undetectable		 2ycjA-3w5vA:
22.06
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.
4afr METACASPASE

(Trypanosoma
brucei) 		PF00656
(Peptidase_C14) 		5 MET A 254
ILE A  80
GLY A 159
SER A 215
ILE A 176
 None
 1.18A 2ycjA-4afrA:
undetectable		 2ycjA-4afrA:
24.01
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.
4c23 L-FUCULOSE KINASE
FUCK

(Streptococcus
pneumoniae) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 ILE A  56
LEU A   9
GLY A  73
ASN A 432
ILE A  72
 None
 1.25A 2ycjA-4c23A:
undetectable		 2ycjA-4c23A:
21.14
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.
4ccz METHIONINE SYNTHASE

(Homo sapiens) 		PF00809
(Pterin_bind)
PF02574
(S-methyl_trans) 		5 ASP A 414
ASP A 537
GLY A 576
SER A 578
ASN A 579
 None
THG  A1652 (-3.4A)
THG  A1652 (-3.6A)
THG  A1652 (-4.2A)
THG  A1652 (-3.1A)
 0.90A 2ycjA-4cczA:
30.6		 2ycjA-4cczA:
15.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ccz METHIONINE SYNTHASE

(Homo sapiens) 		PF00809
(Pterin_bind)
PF02574
(S-methyl_trans) 		5 ASP A 449
ASN A 470
ASP A 537
GLY A 575
ILE A 611
 THG  A1652 (-3.4A)
THG  A1652 (-3.2A)
THG  A1652 (-3.4A)
None
THG  A1652 (-4.2A)
 1.14A 2ycjA-4cczA:
30.6		 2ycjA-4cczA:
15.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ccz METHIONINE SYNTHASE

(Homo sapiens) 		PF00809
(Pterin_bind)
PF02574
(S-methyl_trans) 		7 ASP A 449
ASN A 470
ASP A 537
GLY A 576
SER A 578
ASN A 579
ILE A 611
 THG  A1652 (-3.4A)
THG  A1652 (-3.2A)
THG  A1652 (-3.4A)
THG  A1652 (-3.6A)
THG  A1652 (-4.2A)
THG  A1652 (-3.1A)
THG  A1652 (-4.2A)
 0.34A 2ycjA-4cczA:
30.6		 2ycjA-4cczA:
15.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cdb LISTERIOLYSIN O

(Listeria
monocytogenes) 		PF01289
(Thiol_cytolysin)
PF17440
(Thiol_cytolys_C) 		5 PHE A 464
ILE A 477
SER A 454
ASN A 456
ILE A 468
 None
 1.06A 2ycjA-4cdbA:
undetectable		 2ycjA-4cdbA:
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.
4cvu BETA-MANNOSIDASE

(Trichoderma
harzianum) 		PF00703
(Glyco_hydro_2) 		5 MET A 600
ASN A 667
SER A 619
ASN A 618
GLN A 645
 None
NAG  A1946 (-1.9A)
None
NAG  A1943 (-1.8A)
None
 1.12A 2ycjA-4cvuA:
3.5		 2ycjA-4cvuA:
14.27
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.
4dns FAD-LINKED
OXIDOREDUCTASE BG60

(Cynodon
dactylon) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 PHE A 166
ILE A 357
LEU A 361
SER A 342
ILE A 398
 FAD  A 501 (-4.1A)
None
None
None
None
 1.26A 2ycjA-4dnsA:
undetectable		 2ycjA-4dnsA:
19.48
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.
4gba DCN1-LIKE PROTEIN 3

(Homo sapiens) 		PF03556
(Cullin_binding) 		5 PHE A 270
ASN A 231
GLY A 237
SER A 239
ILE A 235
 None
 1.12A 2ycjA-4gbaA:
undetectable		 2ycjA-4gbaA:
21.28
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.
4i7u DIHYDRODIPICOLINATE
SYNTHASE

(Agrobacterium
sp. H13-3) 		PF00701
(DHDPS) 		5 ILE A  74
LEU A 101
GLY A 160
GLN A 174
ILE A 183
 None
 1.01A 2ycjA-4i7uA:
7.4		 2ycjA-4i7uA:
23.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j34 KYNURENINE
3-MONOOXYGENASE

(Saccharomyces
cerevisiae) 		PF01494
(FAD_binding_3) 		5 LEU A  16
GLY A  58
ASN A 328
GLN A 325
ILE A  59
 None
None
FAD  A 401 (-3.7A)
FAD  A 401 (-4.4A)
None
 1.32A 2ycjA-4j34A:
undetectable		 2ycjA-4j34A:
23.36
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.
4k68 GH10 XYLANASE

(soil metagenome) 		PF00331
(Glyco_hydro_10) 		5 MET A  79
ILE A  66
LEU A  63
GLY A 103
ILE A  73
 None
 1.30A 2ycjA-4k68A:
7.0		 2ycjA-4k68A:
23.21
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.
4l0o CYSTATHIONINE
GAMMA-SYNTHASE

(Helicobacter
pylori) 		no annotation 5 ASP H 170
ILE H 168
GLY H  77
SER H  73
ILE H  78
 PLP  H 401 (-3.2A)
None
None
PLP  H 401 (-3.5A)
None
 1.12A 2ycjA-4l0oH:
2.1		 2ycjA-4l0oH:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m9d ADENYLOSUCCINATE
SYNTHETASE

(Bacillus
anthracis) 		PF00709
(Adenylsucc_synt) 		5 ILE A 337
LEU A 340
SER A 270
GLN A  10
ILE A 289
 None
 1.27A 2ycjA-4m9dA:
undetectable		 2ycjA-4m9dA:
19.27
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  97
ILE A 121
LEU A 123
ASP A 161
GLY A 196
ASN A 199
ILE A 227
 C2F  A3000 (-3.0A)
C2F  A3000 ( 4.1A)
None
C2F  A3000 (-3.5A)
C2F  A3000 (-3.5A)
C2F  A3000 ( 4.3A)
C2F  A3000 (-4.3A)
 0.75A 2ycjA-4o1eA:
35.3		 2ycjA-4o1eA:
36.33
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) 		5 ASN A  97
ILE A 121
LEU A 123
ASP A 161
ILE A   5
 C2F  A3000 (-3.0A)
C2F  A3000 ( 4.1A)
None
C2F  A3000 (-3.5A)
None
 1.20A 2ycjA-4o1eA:
35.3		 2ycjA-4o1eA:
36.33
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 ASP A  76
ASN A  97
ILE A 121
ASP A 161
GLY A 196
SER A 198
ILE A 227
 C2F  A3000 (-3.6A)
C2F  A3000 (-3.0A)
C2F  A3000 ( 4.1A)
C2F  A3000 (-3.5A)
C2F  A3000 (-3.5A)
C2F  A3000 ( 3.8A)
C2F  A3000 (-4.3A)
 1.07A 2ycjA-4o1eA:
35.3		 2ycjA-4o1eA:
36.33
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 ASP A  76
ASN A  97
ILE A 121
LEU A 123
ASP A 161
GLY A 196
ILE A 227
 C2F  A3000 (-3.6A)
C2F  A3000 (-3.0A)
C2F  A3000 ( 4.1A)
None
C2F  A3000 (-3.5A)
C2F  A3000 (-3.5A)
C2F  A3000 (-4.3A)
 0.51A 2ycjA-4o1eA:
35.3		 2ycjA-4o1eA:
36.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oen SECOND SUBSTRATE
BINDING DOMAIN OF
PUTATIVE AMINO ACID
ABC TRANSPORTER

(Streptococcus
pneumoniae) 		PF00497
(SBP_bac_3) 		5 PHE A 277
ASN A 354
GLY A 447
SER A 335
ILE A 446
 ACT  A 507 (-3.4A)
None
None
ACT  A 506 (-3.4A)
None
 1.29A 2ycjA-4oenA:
undetectable		 2ycjA-4oenA:
21.66
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.
4ojz PUTATIVE ALGINATE
LYASE

(Saccharophagus
degradans) 		PF05426
(Alginate_lyase)
PF07940
(Hepar_II_III) 		5 MET A  68
ILE A 176
LEU A 168
GLY A 160
ILE A  96
 None
 1.22A 2ycjA-4ojzA:
undetectable		 2ycjA-4ojzA:
16.69
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.
4pzv 2-AMINO-4-HYDROXY-6-
HYDROXYMETHYLDIHYDRO
PTERIDINE
PYROPHOSPHOKINASE/DI
HYDROPTEROATE
SYNTHASE

(Francisella
tularensis) 		PF00809
(Pterin_bind)
PF01288
(HPPK) 		5 ASP A 209
ASN A 276
ASP A 345
GLY A 378
SER A 380
 None
 1.13A 2ycjA-4pzvA:
4.7		 2ycjA-4pzvA:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pzv 2-AMINO-4-HYDROXY-6-
HYDROXYMETHYLDIHYDRO
PTERIDINE
PYROPHOSPHOKINASE/DI
HYDROPTEROATE
SYNTHASE

(Francisella
tularensis) 		PF00809
(Pterin_bind)
PF01288
(HPPK) 		5 ASP A 254
ASN A 276
ASP A 345
GLY A 378
SER A 380
 None
 0.84A 2ycjA-4pzvA:
4.7		 2ycjA-4pzvA:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qj4 1-PHOSPHATIDYLINOSIT
OL 4,5-BISPHOSPHATE
PHOSPHODIESTERASE
BETA-3

(Homo sapiens) 		PF00168
(C2)
PF00387
(PI-PLC-Y)
PF00388
(PI-PLC-X)
PF09279
(EF-hand_like) 		5 PHE B 805
LEU B 313
GLY B 688
ASN B 830
ILE B 810
 None
 1.32A 2ycjA-4qj4B:
8.1		 2ycjA-4qj4B:
16.41
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.
4rgk UNCHARACTERIZED
PROTEIN

(Yersinia pestis) 		PF07350
(DUF1479) 		5 ILE A  46
LEU A  50
SER A 341
ASN A 272
ILE A 274
 None
 1.26A 2ycjA-4rgkA:
undetectable		 2ycjA-4rgkA:
19.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zr0 CERAMIDE VERY LONG
CHAIN FATTY ACID
HYDROXYLASE SCS7

(Saccharomyces
cerevisiae) 		PF04116
(FA_hydroxylase) 		5 PHE A 122
ILE A 158
LEU A 154
GLY A 269
ILE A 172
 None
 1.34A 2ycjA-4zr0A:
undetectable		 2ycjA-4zr0A:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a42 UNCHARACTERIZED
LIPOPROTEIN YFHM

(Escherichia
coli) 		PF00207
(A2M)
PF01835
(A2M_N)
PF07703
(A2M_N_2)
PF11974
(MG1) 		5 ILE A 422
LEU A 424
GLY A 407
ASN A 406
GLN A 971
 None
 1.21A 2ycjA-5a42A:
undetectable		 2ycjA-5a42A:
10.00
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.
5cww NUCLEOPORIN NUP82

(Chaetomium
thermophilum) 		no annotation 5 ASP B 442
ASN B 426
GLY B 266
SER B 305
GLN B 330
 None
 1.20A 2ycjA-5cwwB:
undetectable		 2ycjA-5cwwB:
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.
5fww KREMEN PROTEIN 1

(Homo sapiens) 		PF00051
(Kringle)
PF00431
(CUB)
PF01822
(WSC) 		5 LEU B 258
ASP B  39
GLY B  37
SER B  92
ASN B  36
 None
 1.34A 2ycjA-5fwwB:
undetectable		 2ycjA-5fwwB:
20.06
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.
5jq9 DIHYDROPTEROATE
SYNTHASE

(Yersinia pestis) 		PF00809
(Pterin_bind) 		5 ASP A  56
ASN A 115
ASP A 185
GLY A 217
SER A 219
 None
6MB  A 301 (-2.9A)
6MB  A 301 (-3.2A)
6MB  A 301 (-3.4A)
None
 1.23A 2ycjA-5jq9A:
21.2		 2ycjA-5jq9A:
24.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jq9 DIHYDROPTEROATE
SYNTHASE

(Yersinia pestis) 		PF00809
(Pterin_bind) 		5 ASP A  96
ASN A 115
ASP A 185
GLY A 217
SER A 219
 6MB  A 301 (-3.2A)
6MB  A 301 (-2.9A)
6MB  A 301 (-3.2A)
6MB  A 301 (-3.4A)
None
 0.72A 2ycjA-5jq9A:
21.2		 2ycjA-5jq9A:
24.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5umg DIHYDROPTEROATE
SYNTHASE

(Klebsiella
pneumoniae) 		PF00809
(Pterin_bind) 		5 ASP A  56
ASN A 115
ASP A 185
GLY A 217
SER A 219
 None
 1.16A 2ycjA-5umgA:
21.2		 2ycjA-5umgA:
25.82
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.
5usw DIHYDROPTEROATE
SYNTHASE

(Aliivibrio
fischeri) 		PF00809
(Pterin_bind) 		5 ASP A  56
ASN A 115
ASP A 185
GLY A 217
SER A 219
 None
GOL  A 303 (-3.5A)
GOL  A 303 (-2.8A)
GOL  A 303 ( 3.9A)
None
 1.22A 2ycjA-5uswA:
20.4		 2ycjA-5uswA:
25.08
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.
5usw DIHYDROPTEROATE
SYNTHASE

(Aliivibrio
fischeri) 		PF00809
(Pterin_bind) 		5 ASP A  96
ASN A 115
ASP A 185
GLY A 217
SER A 219
 GOL  A 303 ( 4.7A)
GOL  A 303 (-3.5A)
GOL  A 303 (-2.8A)
GOL  A 303 ( 3.9A)
None
 0.73A 2ycjA-5uswA:
20.4		 2ycjA-5uswA:
25.08
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.
5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE

(Thermus
thermophilus) 		no annotation 8 ASP A 443
ASN A 464
LEU A 492
ASP A 531
GLY A 570
SER A 572
ASN A 573
ILE A 603
 C2F  A3001 (-2.5A)
C2F  A3001 (-2.2A)
None
C2F  A3001 (-2.5A)
C2F  A3001 (-3.5A)
C2F  A3001 ( 4.5A)
C2F  A3001 (-2.6A)
C2F  A3001 (-3.5A)
 0.30A 2ycjA-5vopA:
30.6		 2ycjA-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.
6a8m -

(-) 		no annotation 5 ILE A 226
LEU A 232
GLY A 191
SER A 189
ILE A 293
 None
 1.16A 2ycjA-6a8mA:
undetectable		 2ycjA-6a8mA:
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.
6day DIHYDROPTEROATE
SYNTHASE

(Xanthomonas
albilineans) 		no annotation 5 ASP A  61
ASN A 120
ASP A 190
GLY A 222
SER A 224
 None
 1.27A 2ycjA-6dayA:
21.6		 2ycjA-6dayA:
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.
6day DIHYDROPTEROATE
SYNTHASE

(Xanthomonas
albilineans) 		no annotation 5 ASP A 101
ASN A 120
ASP A 190
GLY A 222
SER A 224
 None
 0.82A 2ycjA-6dayA:
21.6		 2ycjA-6dayA:
undetectable