SIMILAR PATTERNS OF AMINO ACIDS FOR 3F8W_B_ADNB301_1

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1c3x PENTOSYLTRANSFERASE

(Cellulomonas
sp.) 		PF01048
(PNP_UDP_1) 		9 SER A  46
HIS A 105
TYR A 107
GLY A 137
TYR A 203
GLU A 204
VAL A 220
GLY A 221
MET A 222
 PO4  A 303 (-3.9A)
PO4  A 303 (-4.2A)
None
8IG  A 306 (-3.3A)
8IG  A 306 (-4.4A)
8IG  A 306 (-2.8A)
8IG  A 306 (-4.6A)
8IG  A 306 (-3.4A)
8IG  A 306 (-4.0A)
 0.71A 3f8wB-1c3xA:
30.7		 3f8wB-1c3xA:
33.68
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.
1ccw PROTEIN (GLUTAMATE
MUTASE)

(Clostridium
cochlearium) 		PF06368
(Met_asp_mut_E) 		5 SER B  93
GLY B 131
VAL B 132
GLY B 165
HIS B  75
 None
 1.40A 3f8wB-1ccwB:
undetectable		 3f8wB-1ccwB:
22.84
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.
1dgj ALDEHYDE
OXIDOREDUCTASE

(Desulfovibrio
desulfuricans) 		PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2) 		5 SER A 463
GLY A 504
GLY A 538
HIS A 490
VAL A 488
 None
 1.37A 3f8wB-1dgjA:
undetectable		 3f8wB-1dgjA:
16.05
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.
1e33 ARYLSULFATASE A

(Homo sapiens) 		PF00884
(Sulfatase)
PF14707
(Sulfatase_C) 		5 HIS P 405
GLY P  32
GLU P 312
GLY P 283
HIS P 229
 None
 1.38A 3f8wB-1e33P:
undetectable		 3f8wB-1e33P:
18.24
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.
1g8k ARSENITE OXIDASE

(Alcaligenes
faecalis) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 GLY A 213
GLY A 211
MET A 210
ASN A 216
VAL A 410
 None
 1.39A 3f8wB-1g8kA:
undetectable		 3f8wB-1g8kA:
17.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nr3 DNA-BINDING PROTEIN
TFX

(Methanothermobacter
thermautotrophicus) 		PF14601
(TFX_C) 		5 SER A  23
GLY A  75
ASN A  72
HIS A  80
VAL A  78
 None
 1.36A 3f8wB-1nr3A:
undetectable		 3f8wB-1nr3A:
17.13
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.
1pvd PYRUVATE
DECARBOXYLASE

(Saccharomyces
cerevisiae) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 SER A 103
GLY A 166
GLU A  78
VAL A  99
GLY A 100
 None
 1.07A 3f8wB-1pvdA:
undetectable		 3f8wB-1pvdA:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r9j TRANSKETOLASE

(Leishmania
mexicana) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 GLY A 535
GLU A 496
VAL A 532
GLY A 531
VAL A 594
 None
 1.13A 3f8wB-1r9jA:
undetectable		 3f8wB-1r9jA:
18.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rzv GLYCOGEN SYNTHASE 1

(Agrobacterium
tumefaciens) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		5 TYR A 472
GLY A 247
ASN A 246
HIS A 137
VAL A  22
 None
 1.32A 3f8wB-1rzvA:
undetectable		 3f8wB-1rzvA:
21.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vfn PURINE-NUCLEOSIDE
PHOSPHORYLASE

(Bos taurus) 		PF01048
(PNP_UDP_1) 		10 SER A  33
HIS A  86
TYR A  88
GLY A 118
GLU A 201
VAL A 217
GLY A 218
MET A 219
ASN A 243
HIS A 257
 None
None
None
HPA  A 300 (-3.6A)
HPA  A 300 ( 2.8A)
HPA  A 300 (-4.5A)
HPA  A 300 (-3.6A)
HPA  A 300 (-4.4A)
HPA  A 300 ( 2.9A)
None
 0.46A 3f8wB-1vfnA:
40.8		 3f8wB-1vfnA:
48.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vmk PURINE NUCLEOSIDE
PHOSPHORYLASE

(Thermotoga
maritima) 		PF01048
(PNP_UDP_1) 		9 HIS A  81
TYR A  83
GLY A 113
TYR A 185
GLU A 186
VAL A 202
GLY A 203
MET A 204
ASN A 228
 None
None
GUN  A 300 (-3.5A)
GUN  A 300 (-4.6A)
GUN  A 300 (-2.7A)
GUN  A 300 (-4.2A)
GUN  A 300 (-3.4A)
GUN  A 300 (-4.3A)
GUN  A 300 (-3.3A)
 0.37A 3f8wB-1vmkA:
33.2		 3f8wB-1vmkA:
39.06
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.
1wyt GLYCINE
DEHYDROGENASE
(DECARBOXYLATING)
SUBUNIT 1
GLYCINE
DEHYDROGENASE
SUBUNIT 2
(P-PROTEIN)

(Thermus
thermophilus) 		PF02347
(GDC-P) 		5 SER B 319
HIS A 268
VAL A 252
GLY A 253
VAL A 166
 None
 1.32A 3f8wB-1wytB:
undetectable		 3f8wB-1wytB:
21.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1yqq XANTHOSINE
PHOSPHORYLASE

(Escherichia
coli) 		PF01048
(PNP_UDP_1) 		10 SER A  34
HIS A  87
TYR A  89
GLY A 119
GLU A 197
VAL A 213
GLY A 214
MET A 215
ASN A 239
HIS A 251
 PO4  A 500 (-3.3A)
PO4  A 500 (-3.8A)
None
GUN  A 400 (-3.5A)
GUN  A 400 (-2.8A)
GUN  A 400 ( 4.7A)
GUN  A 400 (-3.5A)
GUN  A 400 (-4.1A)
GUN  A 400 (-3.2A)
None
 0.56A 3f8wB-1yqqA:
39.0		 3f8wB-1yqqA:
42.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1yqq XANTHOSINE
PHOSPHORYLASE

(Escherichia
coli) 		PF01048
(PNP_UDP_1) 		5 TYR A  89
VAL A 213
GLY A 214
MET A 215
HIS A  65
 None
GUN  A 400 ( 4.7A)
GUN  A 400 (-3.5A)
GUN  A 400 (-4.1A)
PO4  A 500 (-4.1A)
 1.41A 3f8wB-1yqqA:
39.0		 3f8wB-1yqqA:
42.07
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.
2bsz ARYLAMINE
N-ACETYLTRANSFERASE
1

(Mesorhizobium
loti) 		PF00797
(Acetyltransf_2) 		5 SER A 111
HIS A 203
GLY A 129
GLY A 131
ASN A  77
 None
 1.38A 3f8wB-2bszA:
undetectable		 3f8wB-2bszA:
22.88
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.
2dgk GLUTAMATE
DECARBOXYLASE BETA

(Escherichia
coli) 		PF00282
(Pyridoxal_deC) 		5 SER A 271
GLU A 218
VAL A 211
GLY A 210
HIS A 241
 None
 1.35A 3f8wB-2dgkA:
undetectable		 3f8wB-2dgkA:
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.
2dwu GLUTAMATE RACEMASE

(Bacillus
anthracis) 		PF01177
(Asp_Glu_race) 		5 TYR A 191
GLY A  16
GLU A 156
VAL A  17
GLY A  18
 None
 1.23A 3f8wB-2dwuA:
undetectable		 3f8wB-2dwuA:
24.32
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.
2fym ENOLASE

(Escherichia
coli) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 SER A 371
HIS A 158
VAL A 205
GLY A 206
HIS A 369
 None
 1.27A 3f8wB-2fymA:
undetectable		 3f8wB-2fymA:
22.05
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.
2jfq GLUTAMATE RACEMASE

(Staphylococcus
aureus) 		PF01177
(Asp_Glu_race) 		5 TYR A 187
GLY A  11
GLU A 151
VAL A  12
GLY A  13
 None
 1.25A 3f8wB-2jfqA:
2.2		 3f8wB-2jfqA:
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.
2jfw GLUTAMATE RACEMASE

(Enterococcus
faecium) 		PF01177
(Asp_Glu_race) 		5 TYR A 191
GLY A  16
GLU A 156
VAL A  17
GLY A  18
 None
 1.23A 3f8wB-2jfwA:
undetectable		 3f8wB-2jfwA:
23.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ohg GLUTAMATE RACEMASE

(Streptococcus
pyogenes) 		PF01177
(Asp_Glu_race) 		5 TYR A 186
GLY A  12
GLU A 152
VAL A  13
GLY A  14
 None
 1.33A 3f8wB-2ohgA:
undetectable		 3f8wB-2ohgA:
22.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2p4s PURINE NUCLEOSIDE
PHOSPHORYLASE

(Anopheles
gambiae) 		PF01048
(PNP_UDP_1) 		9 SER A 118
HIS A 171
TYR A 173
GLY A 203
GLU A 286
GLY A 303
MET A 304
ASN A 328
HIS A 342
 PO4  A 503 (-2.8A)
DIH  A 401 ( 4.0A)
DIH  A 401 (-4.7A)
DIH  A 401 (-3.4A)
DIH  A 401 (-2.8A)
DIH  A 401 (-3.4A)
DIH  A 401 (-3.5A)
DIH  A 401 (-3.1A)
DIH  A 401 (-3.6A)
 0.43A 3f8wB-2p4sA:
43.3		 3f8wB-2p4sA:
35.66
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.
2pff FATTY ACID SYNTHASE
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00106
(adh_short)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 TYR A1513
TYR A1529
GLU A1010
GLY A1509
VAL A1018
 None
 1.31A 3f8wB-2pffA:
undetectable		 3f8wB-2pffA:
9.63
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.
2qib TETR-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N) 		5 GLY A 117
VAL A 116
GLY A 112
ASN A 122
VAL A 125
 None
None
None
None
P6G  A 701 ( 4.0A)
 1.34A 3f8wB-2qibA:
undetectable		 3f8wB-2qibA:
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.
2wek ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  73
VAL A  72
GLY A 100
ASN A  75
VAL A 155
 None
None
None
DIF  A1373 (-4.1A)
DIF  A1373 (-4.4A)
 1.20A 3f8wB-2wekA:
undetectable		 3f8wB-2wekA:
23.68
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.
2xt6 2-OXOGLUTARATE
DECARBOXYLASE

(Mycolicibacterium
smegmatis) 		PF00198
(2-oxoacid_dh)
PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF16870
(OxoGdeHyase_C) 		5 SER A 899
GLY A 961
VAL A 612
GLY A 957
VAL A 971
 None
 1.35A 3f8wB-2xt6A:
undetectable		 3f8wB-2xt6A:
15.07
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.
2yky BETA-TRANSAMINASE

(Mesorhizobium
sp. LUK) 		PF00202
(Aminotran_3) 		5 TYR A  89
GLY A 170
TYR A 172
GLU A 220
GLY A 226
 SFE  A1546 (-4.0A)
None
SFE  A1546 ( 3.7A)
PLP  A1446 (-3.9A)
None
 1.17A 3f8wB-2ykyA:
undetectable		 3f8wB-2ykyA:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aw5 MULTICOPPER OXIDASE

(Pyrobaculum
aerophilum) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 HIS A 371
GLY A 137
GLY A 469
MET A 471
HIS A 105
 None
 1.38A 3f8wB-3aw5A:
undetectable		 3f8wB-3aw5A:
23.02
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.
3cty THIOREDOXIN
REDUCTASE

(Thermoplasma
acidophilum) 		PF07992
(Pyr_redox_2) 		5 HIS A 126
GLY A 287
TYR A 269
GLY A 123
ASN A 293
 None
FAD  A1000 (-3.2A)
None
FAD  A1000 (-3.4A)
None
 1.21A 3f8wB-3ctyA:
undetectable		 3f8wB-3ctyA:
20.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3e9z PURINE-NUCLEOSIDE
PHOSPHORYLASE

(Schistosoma
mansoni) 		PF01048
(PNP_UDP_1) 		11 HIS A  88
TYR A  90
GLY A 120
TYR A 202
GLU A 203
VAL A 219
GLY A 220
MET A 221
ASN A 245
HIS A 259
VAL A 262
 SO4  A 291 (-3.9A)
None
6GU  A 704 (-2.9A)
6GU  A 704 (-4.8A)
6GU  A 704 (-2.4A)
6GU  A 704 ( 4.3A)
6GU  A 704 (-3.4A)
6GU  A 704 (-3.7A)
6GU  A 704 (-2.7A)
None
6GU  A 704 ( 4.3A)
 0.42A 3f8wB-3e9zA:
46.0		 3f8wB-3e9zA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3e9z PURINE-NUCLEOSIDE
PHOSPHORYLASE

(Schistosoma
mansoni) 		PF01048
(PNP_UDP_1) 		7 SER A  35
GLY A 120
GLU A 203
VAL A 219
GLY A 220
ASN A 245
VAL A 262
 None
6GU  A 704 (-2.9A)
6GU  A 704 (-2.4A)
6GU  A 704 ( 4.3A)
6GU  A 704 (-3.4A)
6GU  A 704 (-2.7A)
6GU  A 704 ( 4.3A)
 1.33A 3f8wB-3e9zA:
46.0		 3f8wB-3e9zA:
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.
3edn PHENAZINE
BIOSYNTHESIS
PROTEIN, PHZF FAMILY

(Bacillus
anthracis) 		PF02567
(PhzC-PhzF) 		5 HIS A 263
GLY A 213
TYR A 205
GLU A 257
GLY A 259
 None
 1.33A 3f8wB-3ednA:
undetectable		 3f8wB-3ednA:
24.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ff1 GLUCOSE-6-PHOSPHATE
ISOMERASE

(Staphylococcus
aureus) 		PF00342
(PGI) 		5 TYR A 274
GLY A 210
VAL A 205
GLY A  87
VAL A  78
 None
 1.20A 3f8wB-3ff1A:
undetectable		 3f8wB-3ff1A:
23.01
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.
3ifs GLUCOSE-6-PHOSPHATE
ISOMERASE

(Bacillus
anthracis) 		PF00342
(PGI) 		5 TYR A 280
GLY A 216
VAL A 211
GLY A  88
VAL A  79
 None
 1.20A 3f8wB-3ifsA:
undetectable		 3f8wB-3ifsA:
25.39
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.
3imh GALACTOSE-1-EPIMERAS
E

(Lactobacillus
acidophilus) 		PF01263
(Aldose_epim) 		5 HIS A 173
TYR A 175
GLY A 239
ASN A 238
HIS A 278
 GOL  A 340 (-3.8A)
None
None
None
GOL  A 340 (-4.2A)
 1.36A 3f8wB-3imhA:
undetectable		 3f8wB-3imhA:
23.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3iom PURINE NUCLEOSIDE
PHOSPHORYLASE

(Mycobacterium
tuberculosis) 		PF01048
(PNP_UDP_1) 		5 GLY A 206
TYR A 188
GLU A 189
GLY A 185
HIS A 243
 GNG  A 800 (-3.6A)
GNG  A 800 (-4.6A)
GNG  A 800 (-2.9A)
None
GNG  A 800 (-3.3A)
 1.30A 3f8wB-3iomA:
33.1		 3f8wB-3iomA:
34.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3iom PURINE NUCLEOSIDE
PHOSPHORYLASE

(Mycobacterium
tuberculosis) 		PF01048
(PNP_UDP_1) 		12 SER A  36
HIS A  90
TYR A  92
GLY A 122
TYR A 188
GLU A 189
VAL A 205
GLY A 206
MET A 207
ASN A 231
HIS A 243
VAL A 246
 SO4  A 301 ( 2.2A)
SO4  A 301 (-3.3A)
None
GNG  A 800 (-3.6A)
GNG  A 800 (-4.6A)
GNG  A 800 (-2.9A)
GNG  A 800 (-4.4A)
GNG  A 800 (-3.6A)
GNG  A 800 (-3.4A)
GNG  A 800 (-2.8A)
GNG  A 800 (-3.3A)
GNG  A 800 (-4.2A)
 0.52A 3f8wB-3iomA:
33.1		 3f8wB-3iomA:
34.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3khs PURINE NUCLEOSIDE
PHOSPHORYLASE

(Singapore
grouper
iridovirus) 		PF01048
(PNP_UDP_1) 		9 SER A  30
HIS A  83
TYR A  85
GLY A 115
GLU A 198
VAL A 214
GLY A 215
MET A 216
ASN A 240
 PO4  A 290 (-2.6A)
PO4  A 290 (-4.0A)
None
None
None
None
TRS  A 294 ( 3.9A)
TRS  A 294 (-3.7A)
None
 0.62A 3f8wB-3khsA:
38.1		 3f8wB-3khsA:
46.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3la8 PUTATIVE PURINE
NUCLEOSIDE
PHOSPHORYLASE

(Streptococcus
mutans) 		PF01048
(PNP_UDP_1) 		7 HIS A  83
TYR A  85
GLY A 115
TYR A 190
VAL A 207
GLY A 208
MET A 209
 SO4  A 270 (-3.9A)
None
None
None
None
None
None
 0.32A 3f8wB-3la8A:
34.0		 3f8wB-3la8A:
40.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3la8 PUTATIVE PURINE
NUCLEOSIDE
PHOSPHORYLASE

(Streptococcus
mutans) 		PF01048
(PNP_UDP_1) 		7 SER A  30
TYR A  85
GLY A 115
TYR A 190
VAL A 207
GLY A 208
MET A 209
 SO4  A 270 (-4.4A)
None
None
None
None
None
None
 0.55A 3f8wB-3la8A:
34.0		 3f8wB-3la8A:
40.82
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.
3o8o 6-PHOSPHOFRUCTOKINAS
E SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00365
(PFK) 		5 SER A 733
GLY A 695
VAL A 601
GLY A 602
VAL A 727
 None
 1.40A 3f8wB-3o8oA:
undetectable		 3f8wB-3o8oA:
16.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3odg XANTHOSINE
PHOSPHORYLASE

(Yersinia
pseudotuberculosis) 		PF01048
(PNP_UDP_1) 		9 HIS A  95
TYR A  97
GLY A 127
GLU A 205
VAL A 221
GLY A 222
MET A 223
ASN A 247
HIS A 259
 None
None
XAN  A 288 (-3.5A)
XAN  A 288 (-2.8A)
XAN  A 288 (-4.5A)
XAN  A 288 (-3.4A)
XAN  A 288 (-4.3A)
XAN  A 288 (-3.0A)
None
 0.51A 3f8wB-3odgA:
37.0		 3f8wB-3odgA:
41.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3odg XANTHOSINE
PHOSPHORYLASE

(Yersinia
pseudotuberculosis) 		PF01048
(PNP_UDP_1) 		8 SER A  42
GLY A 127
GLU A 205
VAL A 221
GLY A 222
MET A 223
ASN A 247
HIS A 259
 CL  A 289 (-3.9A)
XAN  A 288 (-3.5A)
XAN  A 288 (-2.8A)
XAN  A 288 (-4.5A)
XAN  A 288 (-3.4A)
XAN  A 288 (-4.3A)
XAN  A 288 (-3.0A)
None
 0.62A 3f8wB-3odgA:
37.0		 3f8wB-3odgA:
41.67
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.
3oix DIHYDROOROTATE
OXIDASE
PUTATIVE
DIHYDROOROTATE
DEHYDROGENASE

(Streptococcus
mutans) 		PF01180
(DHO_dh) 		5 GLY A  47
VAL A 102
GLY A 103
MET A 104
ASN A  75
 MLY  A  45 ( 3.8A)
None
None
None
None
 0.99A 3f8wB-3oixA:
undetectable		 3f8wB-3oixA:
23.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ozb METHYLTHIOADENOSINE
PHOSPHORYLASE

(Pseudomonas
aeruginosa) 		PF01048
(PNP_UDP_1) 		5 GLU A 181
GLY A 198
MET A 199
ASN A 223
VAL A 222
 HPA  A 260 (-2.9A)
HPA  A 260 (-3.3A)
HPA  A 260 (-4.3A)
HPA  A 260 (-3.0A)
None
 1.20A 3f8wB-3ozbA:
25.0		 3f8wB-3ozbA:
24.66
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.
3ozb METHYLTHIOADENOSINE
PHOSPHORYLASE

(Pseudomonas
aeruginosa) 		PF01048
(PNP_UDP_1) 		6 GLY A 102
GLU A 181
VAL A 197
GLY A 198
MET A 199
ASN A 223
 HPA  A 260 (-3.7A)
HPA  A 260 (-2.9A)
HPA  A 260 (-4.3A)
HPA  A 260 (-3.3A)
HPA  A 260 (-4.3A)
HPA  A 260 (-3.0A)
 0.40A 3f8wB-3ozbA:
25.0		 3f8wB-3ozbA:
24.66
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.
3pef 6-PHOSPHOGLUCONATE
DEHYDROGENASE,
NAD-BINDING

(Geobacter
metallireducens) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		5 SER A  95
TYR A  91
GLY A 165
VAL A 164
VAL A  97
 None
None
None
EDO  A 292 (-4.7A)
None
 1.14A 3f8wB-3pefA:
undetectable		 3f8wB-3pefA:
21.82
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.
3pl2 SUGAR KINASE,
RIBOKINASE FAMILY

(Corynebacterium
glutamicum) 		PF00294
(PfkB) 		5 TYR A  71
GLY A  41
GLY A  17
ASN A  45
VAL A  48
 None
 1.42A 3f8wB-3pl2A:
undetectable		 3f8wB-3pl2A:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pvz UDP-N-ACETYLGLUCOSAM
INE 4,6-DEHYDRATASE

(Aliivibrio
fischeri) 		PF02719
(Polysacc_synt_2) 		5 SER A 203
GLY A 238
VAL A  48
GLY A  45
VAL A 200
 NAD  A 501 (-2.9A)
None
None
None
NAD  A 501 ( 3.8A)
 1.11A 3f8wB-3pvzA:
undetectable		 3f8wB-3pvzA:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rfr PMOB

(Methylocystis
sp. M) 		PF04744
(Monooxygenase_B) 		5 SER A  71
HIS A  68
GLY A 407
VAL A 387
GLY A 388
 None
 0.95A 3f8wB-3rfrA:
undetectable		 3f8wB-3rfrA:
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.
3ro8 ENDO-1,4-BETA-XYLANA
SE

(Paenibacillus
sp. JDR-2) 		PF00331
(Glyco_hydro_10) 		5 SER A 261
HIS A  79
TYR A 191
VAL A 256
GLY A 228
 None
 1.41A 3f8wB-3ro8A:
undetectable		 3f8wB-3ro8A:
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.
3sql GLYCOSYL HYDROLASE
FAMILY 3

(Synechococcus
sp. PCC 7002) 		PF00933
(Glyco_hydro_3) 		5 SER A 204
GLY A 198
GLY A 196
ASN A 156
VAL A 158
 ACY  A 541 ( 3.8A)
None
None
None
None
 1.30A 3f8wB-3sqlA:
undetectable		 3f8wB-3sqlA:
20.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t94 5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE
(MTAP)

(Sulfolobus
solfataricus) 		PF01048
(PNP_UDP_1) 		5 SER A  16
GLY A  94
GLY A 189
MET A 190
VAL A 228
 SO4  A 902 ( 2.6A)
MTA  A 901 (-3.6A)
MTA  A 901 (-3.5A)
MTA  A 901 (-3.9A)
MTA  A 901 ( 4.4A)
 0.37A 3f8wB-3t94A:
27.2		 3f8wB-3t94A:
27.92
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.
3zhr MULTIFUNCTIONAL
2-OXOGLUTARATE
METABOLISM ENZYME

(Mycolicibacterium
smegmatis) 		PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF16870
(OxoGdeHyase_C) 		5 SER A 899
GLY A 961
VAL A 612
GLY A 957
VAL A 971
 None
 1.26A 3f8wB-3zhrA:
undetectable		 3f8wB-3zhrA:
16.90
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.
4c7v TRANSKETOLASE

(Lactobacillus
salivarius) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 GLY A 540
GLU A 498
VAL A 537
GLY A 536
VAL A 601
 None
 1.25A 3f8wB-4c7vA:
undetectable		 3f8wB-4c7vA:
17.89
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.
4d7e L-LYS MONOOXYGENASE

(Nocardia
farcinica) 		PF13434
(K_oxygenase) 		5 SER A 237
GLY A 219
GLY A 279
HIS A 297
VAL A 235
 None
 0.89A 3f8wB-4d7eA:
undetectable		 3f8wB-4d7eA:
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.
4dr0 RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
SUBUNIT BETA

(Bacillus
subtilis) 		PF00268
(Ribonuc_red_sm) 		5 GLY A  61
TYR A 105
VAL A  58
GLY A 171
HIS A 101
 None
None
None
None
MN  A 402 (-3.2A)
 1.40A 3f8wB-4dr0A:
undetectable		 3f8wB-4dr0A:
21.10
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.
4e21 6-PHOSPHOGLUCONATE
DEHYDROGENASE
(DECARBOXYLATING)

(Geobacter
metallireducens) 		PF00393
(6PGD)
PF03446
(NAD_binding_2) 		5 HIS A 191
GLY A  92
TYR A 130
VAL A 117
GLY A 118
 None
 1.32A 3f8wB-4e21A:
undetectable		 3f8wB-4e21A:
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.
4gga CELL DIVISION CYCLE
PROTEIN 20 HOMOLOG

(Homo sapiens) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		5 SER A 266
HIS A 293
GLY A 288
VAL A 312
GLY A 284
 None
 0.96A 3f8wB-4ggaA:
undetectable		 3f8wB-4ggaA:
22.72
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.
4hu8 GH10 XYLANASE

(Globitermes
brachycerastes) 		PF00331
(Glyco_hydro_10)
PF02368
(Big_2) 		5 SER A 370
HIS A 199
TYR A 298
VAL A 365
GLY A 337
 None
 1.42A 3f8wB-4hu8A:
undetectable		 3f8wB-4hu8A:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4irq BETA-1,4-GALACTOSYLT
RANSFERASE 7

(Homo sapiens) 		PF02709
(Glyco_transf_7C)
PF13733
(Glyco_transf_7N) 		5 TYR A 194
GLY A 223
GLU A 227
GLY A 225
HIS A 259
 UDP  A 402 (-4.6A)
None
TRS  A 403 (-2.5A)
TRS  A 403 (-3.2A)
MN  A 401 ( 3.4A)
 1.04A 3f8wB-4irqA:
undetectable		 3f8wB-4irqA:
22.04
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.
4jd0 NUCLEOTIDYL
TRANSFERASE

(Thermotoga
maritima) 		PF00483
(NTP_transferase) 		5 SER A 143
GLY A 129
VAL A 169
GLY A 168
VAL A 145
 1KH  A 301 (-4.6A)
None
None
1KH  A 301 (-3.4A)
None
 1.34A 3f8wB-4jd0A:
undetectable		 3f8wB-4jd0A:
22.92
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.
4kh8 HYPOTHETICAL PROTEIN

(Enterococcus
faecalis) 		PF16103
(DUF4822) 		5 TYR A  98
TYR A 152
VAL A 139
GLY A 138
HIS A  87
 None
None
None
None
UNL  A 401 ( 4.3A)
 1.38A 3f8wB-4kh8A:
undetectable		 3f8wB-4kh8A:
22.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lna PURINE NUCLEOSIDE
PHOSPHORYLASE

(Spirosoma
linguale) 		PF01048
(PNP_UDP_1) 		7 HIS A  81
TYR A  83
GLY A 113
GLU A 192
VAL A 208
GLY A 209
MET A 210
 PO4  A 500 (-4.2A)
None
ADE  A 502 (-3.6A)
ADE  A 502 (-2.9A)
ADE  A 502 (-4.5A)
ADE  A 502 (-3.5A)
MPD  A 503 ( 3.2A)
 0.34A 3f8wB-4lnaA:
39.4		 3f8wB-4lnaA:
43.05
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.
4lrs 4-HYDROXY-2-OXOVALER
ATE ALDOLASE

(Thermomonospora
curvata) 		PF00682
(HMGL-like)
PF07836
(DmpG_comm) 		5 HIS A  25
VAL A 326
GLY A 327
HIS A 206
VAL A 173
 None
None
None
MG  A 404 ( 3.4A)
None
 1.39A 3f8wB-4lrsA:
undetectable		 3f8wB-4lrsA:
19.22
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.
4lw6 BETA-4-GALACTOSYLTRA
NSFERASE 7

(Drosophila
melanogaster) 		PF02709
(Glyco_transf_7C)
PF13733
(Glyco_transf_7N) 		5 TYR A 177
GLY A 206
GLU A 210
GLY A 208
HIS A 243
 XYP  A 403 ( 3.4A)
None
SEL  A 405 (-3.1A)
SEL  A 405 ( 3.1A)
MN  A 401 ( 3.3A)
 1.00A 3f8wB-4lw6A:
undetectable		 3f8wB-4lw6A:
21.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m1e PURINE NUCLEOSIDE
PHOSPHORYLASE

(Planctopirus
limnophila) 		PF01048
(PNP_UDP_1) 		7 HIS A  84
TYR A  86
GLY A 116
GLU A 194
VAL A 210
GLY A 211
MET A 212
 SO4  A 400 (-3.9A)
None
ADE  A 401 (-3.7A)
ADE  A 401 (-2.7A)
ADE  A 401 (-4.4A)
ADE  A 401 (-3.4A)
ADE  A 401 (-4.2A)
 0.36A 3f8wB-4m1eA:
41.5		 3f8wB-4m1eA:
43.00
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.
4n4k HYDROXYLAMINE
OXIDOREDUCTASE

(Candidatus
Kuenenia
stuttgartiensis) 		PF13447
(Multi-haem_cyto) 		5 GLY A 196
GLY A 194
ASN A 205
HIS A 524
VAL A 204
 HEM  A 612 (-3.3A)
None
HEC  A 610 ( 3.5A)
None
None
 1.10A 3f8wB-4n4kA:
undetectable		 3f8wB-4n4kA:
19.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ns1 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Porphyromonas
gingivalis) 		PF01048
(PNP_UDP_1) 		9 HIS A  99
TYR A 101
GLY A 131
TYR A 207
GLU A 208
GLY A 225
MET A 226
ASN A 250
VAL A 266
 SO4  A 302 (-4.0A)
None
DA  A 301 (-3.4A)
None
DA  A 301 (-2.7A)
DA  A 301 (-3.5A)
DA  A 301 (-4.0A)
DA  A 301 (-3.0A)
DA  A 301 ( 4.7A)
 0.36A 3f8wB-4ns1A:
38.7		 3f8wB-4ns1A:
45.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ns1 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Porphyromonas
gingivalis) 		PF01048
(PNP_UDP_1) 		8 SER A  46
GLY A 131
TYR A 207
GLU A 208
GLY A 225
MET A 226
ASN A 250
VAL A 266
 SO4  A 302 (-2.7A)
DA  A 301 (-3.4A)
None
DA  A 301 (-2.7A)
DA  A 301 (-3.5A)
DA  A 301 (-4.0A)
DA  A 301 (-3.0A)
DA  A 301 ( 4.7A)
 0.77A 3f8wB-4ns1A:
38.7		 3f8wB-4ns1A:
45.21
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.
4rcd BETA-SECRETASE 1

(Homo sapiens) 		PF00026
(Asp) 		5 TYR A  15
GLY A  41
VAL A  40
GLY A 117
HIS A  49
 None
 1.07A 3f8wB-4rcdA:
undetectable		 3f8wB-4rcdA:
22.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uc0 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Agrobacterium
vitis) 		PF01048
(PNP_UDP_1) 		8 HIS A  78
TYR A  80
GLY A 110
GLU A 185
VAL A 201
GLY A 202
MET A 203
ASN A 227
 None
None
HPA  A 301 (-3.5A)
HPA  A 301 (-2.9A)
HPA  A 301 (-4.9A)
HPA  A 301 (-3.6A)
HPA  A 301 (-4.4A)
HPA  A 301 (-3.0A)
 0.43A 3f8wB-4uc0A:
33.3		 3f8wB-4uc0A:
35.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uc0 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Agrobacterium
vitis) 		PF01048
(PNP_UDP_1) 		8 SER A  25
HIS A  78
GLY A 110
GLU A 185
VAL A 201
GLY A 202
MET A 203
ASN A 227
 None
None
HPA  A 301 (-3.5A)
HPA  A 301 (-2.9A)
HPA  A 301 (-4.9A)
HPA  A 301 (-3.6A)
HPA  A 301 (-4.4A)
HPA  A 301 (-3.0A)
 0.62A 3f8wB-4uc0A:
33.3		 3f8wB-4uc0A:
35.86
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.
4zm6 N-ACETYL-BETA-D
GLUCOSAMINIDASE

(Rhizomucor
miehei) 		PF00583
(Acetyltransf_1)
PF00933
(Glyco_hydro_3) 		5 SER A 191
GLY A 185
GLY A 183
ASN A 143
VAL A 145
 None
 1.39A 3f8wB-4zm6A:
undetectable		 3f8wB-4zm6A:
16.07
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.
4zqi D-ALANINE--D-ALANINE
LIGASE

(Yersinia pestis) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		5 SER A  22
HIS A  63
GLY A  39
VAL A  40
VAL A  26
 None
 1.31A 3f8wB-4zqiA:
undetectable		 3f8wB-4zqiA:
24.17
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.
5epg ALDEHYDE OXIDASE

(Homo sapiens) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 HIS A1229
GLY A 505
VAL A 512
GLY A 510
VAL A1332
 None
 1.27A 3f8wB-5epgA:
undetectable		 3f8wB-5epgA:
12.65
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.
5fwj HISTONE DEMETHYLASE
JARID1C

(Homo sapiens) 		PF02373
(JmjC)
PF02375
(JmjN)
PF02928
(zf-C5HC2) 		5 GLY A 441
TYR A 392
VAL A 504
GLY A 505
MET A 506
 None
 1.37A 3f8wB-5fwjA:
undetectable		 3f8wB-5fwjA:
19.08
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.
5hp5 PROTEIN-ARGININE
DEIMINASE TYPE-1

(Homo sapiens) 		PF03068
(PAD)
PF08526
(PAD_N)
PF08527
(PAD_M) 		5 TYR A 464
GLU A 475
VAL A 470
GLY A 471
HIS A 542
 None
 1.19A 3f8wB-5hp5A:
undetectable		 3f8wB-5hp5A:
18.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ifk PURINE NUCLEOSIDE
PHOSPHORYLASE

(Kluyveromyces
lactis) 		PF01048
(PNP_UDP_1) 		10 HIS A  98
TYR A 100
GLY A 131
GLU A 214
VAL A 230
GLY A 231
MET A 232
ASN A 256
HIS A 281
VAL A 284
 None
None
HPA  A 401 (-3.5A)
HPA  A 401 (-2.7A)
HPA  A 401 (-4.5A)
HPA  A 401 (-3.5A)
HPA  A 401 ( 4.3A)
HPA  A 401 (-2.9A)
None
HPA  A 401 ( 4.7A)
 0.41A 3f8wB-5ifkA:
38.7		 3f8wB-5ifkA:
42.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ifk PURINE NUCLEOSIDE
PHOSPHORYLASE

(Kluyveromyces
lactis) 		PF01048
(PNP_UDP_1) 		8 SER A  42
GLY A 131
GLU A 214
VAL A 230
GLY A 231
MET A 232
ASN A 256
VAL A 284
 None
HPA  A 401 (-3.5A)
HPA  A 401 (-2.7A)
HPA  A 401 (-4.5A)
HPA  A 401 (-3.5A)
HPA  A 401 ( 4.3A)
HPA  A 401 (-2.9A)
HPA  A 401 ( 4.7A)
 0.97A 3f8wB-5ifkA:
38.7		 3f8wB-5ifkA:
42.17
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.
5kdr ACETYL-COENZYME A
CARBOXYLASE CARBOXYL
TRANSFERASE SUBUNIT
ALPHA

(Staphylococcus
aureus) 		PF03255
(ACCA) 		5 HIS A 129
TYR A 160
GLY A 114
GLY A 126
MET A 127
 None
 1.27A 3f8wB-5kdrA:
3.0		 3f8wB-5kdrA:
24.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ko5 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Schistosoma
mansoni) 		PF01048
(PNP_UDP_1) 		8 GLY A 120
TYR A 202
VAL A 219
GLY A 220
MET A 221
ASN A 245
HIS A 259
VAL A 262
 CYT  A 301 (-3.3A)
CYT  A 301 (-4.6A)
None
CYT  A 301 (-3.3A)
CYT  A 301 (-4.1A)
CYT  A 301 (-3.2A)
None
None
 0.61A 3f8wB-5ko5A:
43.8		 3f8wB-5ko5A:
62.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ko5 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Schistosoma
mansoni) 		PF01048
(PNP_UDP_1) 		10 SER A  35
HIS A  88
TYR A  90
GLY A 120
TYR A 202
VAL A 219
GLY A 220
MET A 221
HIS A 259
VAL A 262
 EDO  A 302 (-3.6A)
EDO  A 302 (-4.5A)
None
CYT  A 301 (-3.3A)
CYT  A 301 (-4.6A)
None
CYT  A 301 (-3.3A)
CYT  A 301 (-4.1A)
None
None
 0.56A 3f8wB-5ko5A:
43.8		 3f8wB-5ko5A:
62.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ko5 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Schistosoma
mansoni) 		PF01048
(PNP_UDP_1) 		10 SER A  35
HIS A  88
TYR A  90
TYR A 202
GLU A 203
VAL A 219
GLY A 220
MET A 221
HIS A 259
VAL A 262
 EDO  A 302 (-3.6A)
EDO  A 302 (-4.5A)
None
CYT  A 301 (-4.6A)
CYT  A 301 (-2.9A)
None
CYT  A 301 (-3.3A)
CYT  A 301 (-4.1A)
None
None
 0.90A 3f8wB-5ko5A:
43.8		 3f8wB-5ko5A:
62.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ko5 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Schistosoma
mansoni) 		PF01048
(PNP_UDP_1) 		8 TYR A 202
GLU A 203
VAL A 219
GLY A 220
MET A 221
ASN A 245
HIS A 259
VAL A 262
 CYT  A 301 (-4.6A)
CYT  A 301 (-2.9A)
None
CYT  A 301 (-3.3A)
CYT  A 301 (-4.1A)
CYT  A 301 (-3.2A)
None
None
 1.02A 3f8wB-5ko5A:
43.8		 3f8wB-5ko5A:
62.15
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.
5l2p ARYLESTERASE

(Sulfolobus
solfataricus) 		PF07859
(Abhydrolase_3) 		5 HIS A 281
GLY A  89
GLY A  83
ASN A  35
VAL A  34
 None
 1.28A 3f8wB-5l2pA:
undetectable		 3f8wB-5l2pA:
23.51
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.
5lcw CELL DIVISION CYCLE
PROTEIN 20 HOMOLOG

(Homo sapiens) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		5 SER Q 266
HIS Q 293
GLY Q 288
VAL Q 312
GLY Q 284
 None
 0.91A 3f8wB-5lcwQ:
undetectable		 3f8wB-5lcwQ:
23.27
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.
5lcw CELL DIVISION CYCLE
PROTEIN 20 HOMOLOG

(Homo sapiens) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		5 SER R 266
HIS R 293
GLY R 288
VAL R 312
GLY R 284
 None
 0.91A 3f8wB-5lcwR:
undetectable		 3f8wB-5lcwR:
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.
5tlc DIBENZOTHIOPHENE
DESULFURIZATION
ENZYME A

(Bacillus
subtilis) 		PF00296
(Bac_luciferase) 		5 GLY A 309
VAL A 308
GLY A  79
HIS A  20
VAL A 372
 None
 1.19A 3f8wB-5tlcA:
undetectable		 3f8wB-5tlcA:
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.
5ucy TUBULIN ALPHA CHAIN

(Tetrahymena
thermophila) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		5 TYR A 224
GLY A 144
GLU A  71
GLY A  10
ASN A 101
 GTP  A 501 (-1.0A)
GTP  A 501 (-2.2A)
GTP  A 501 ( 1.8A)
GTP  A 501 (-2.2A)
GTP  A 501 (-3.3A)
 0.97A 3f8wB-5ucyA:
undetectable		 3f8wB-5ucyA:
22.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ugf PURINE NUCLEOSIDE
PHOSPHORYLASE

(Homo sapiens) 		PF01048
(PNP_UDP_1) 		5 HIS A  64
GLY A 118
ASN A 243
HIS A 257
VAL A 260
 PO4  A 301 (-4.5A)
IM5  A 308 (-3.7A)
IM5  A 308 (-3.1A)
IM5  A 308 (-3.6A)
IM5  A 308 ( 4.3A)
 1.15A 3f8wB-5ugfA:
43.7		 3f8wB-5ugfA:
44.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ugf PURINE NUCLEOSIDE
PHOSPHORYLASE

(Homo sapiens) 		PF01048
(PNP_UDP_1) 		11 SER A  33
HIS A  86
TYR A  88
GLY A 118
GLU A 201
VAL A 217
GLY A 218
MET A 219
ASN A 243
HIS A 257
VAL A 260
 PO4  A 301 (-2.8A)
PO4  A 301 (-4.0A)
IM5  A 308 (-4.5A)
IM5  A 308 (-3.7A)
IM5  A 308 (-2.9A)
IM5  A 308 (-4.4A)
IM5  A 308 (-3.4A)
IM5  A 308 (-3.5A)
IM5  A 308 (-3.1A)
IM5  A 308 (-3.6A)
IM5  A 308 ( 4.3A)
 0.40A 3f8wB-5ugfA:
43.7		 3f8wB-5ugfA:
44.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ugf PURINE NUCLEOSIDE
PHOSPHORYLASE

(Homo sapiens) 		PF01048
(PNP_UDP_1) 		5 TYR A  88
VAL A 217
GLY A 218
MET A 219
HIS A  64
 IM5  A 308 (-4.5A)
IM5  A 308 (-4.4A)
IM5  A 308 (-3.4A)
IM5  A 308 (-3.5A)
PO4  A 301 (-4.5A)
 1.41A 3f8wB-5ugfA:
43.7		 3f8wB-5ugfA:
44.83
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.
5w16 GLUTAMATE RACEMASE

(Thermus
thermophilus) 		no annotation 5 TYR A 179
GLY A  14
GLU A 145
VAL A  15
GLY A  16
 None
NO3  A 302 (-3.3A)
NO3  A 302 ( 4.0A)
NO3  A 302 (-3.6A)
None
 1.28A 3f8wB-5w16A:
undetectable		 3f8wB-5w16A:
17.44
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.
5x2q TASTE RECEPTOR, TYPE
1, MEMBER 2A

(Oryzias latipes) 		PF01094
(ANF_receptor) 		5 SER A 106
HIS A 144
GLY A  37
VAL A 137
GLY A 138
 None
 1.38A 3f8wB-5x2qA:
2.4		 3f8wB-5x2qA:
21.77
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.
5x68 KYNURENINE
3-MONOOXYGENASE

(Homo sapiens) 		no annotation 5 SER A  53
GLY A  17
VAL A  19
MET A 317
ASN A 115
 FAD  A 401 ( 4.1A)
FAD  A 401 (-3.5A)
FAD  A 401 (-3.5A)
FAD  A 401 (-4.7A)
None
 1.39A 3f8wB-5x68A:
undetectable		 3f8wB-5x68A:
13.84
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.
5y2d -

(-) 		no annotation 5 GLY A 179
VAL A  55
GLY A 102
ASN A 220
HIS A 116
 None
 1.41A 3f8wB-5y2dA:
undetectable		 3f8wB-5y2dA:
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.
6bgz LYSINE-SPECIFIC
DEMETHYLASE 5A,
LINKED KDM5A JMJ
DOMAIN

(Homo sapiens) 		no annotation 5 GLY A 410
TYR A 361
VAL A 473
GLY A 474
MET A 475
 None
 1.39A 3f8wB-6bgzA:
undetectable		 3f8wB-6bgzA:
13.03
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.
6ej2 BETA-SECRETASE 1

(Homo sapiens) 		no annotation 5 TYR A 424
GLY A 450
VAL A 449
GLY A 526
HIS A 458
 None
 1.04A 3f8wB-6ej2A:
undetectable		 3f8wB-6ej2A:
14.23
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.
6ek6 LYSINE-SPECIFIC
DEMETHYLASE
5B,LYSINE-SPECIFIC
DEMETHYLASE 5B

(Homo sapiens) 		no annotation 5 GLY A 426
TYR A 377
VAL A 489
GLY A 490
MET A 491
 None
 1.31A 3f8wB-6ek6A:
undetectable		 3f8wB-6ek6A:
15.17