SIMILAR PATTERNS OF AMINO ACIDS FOR 5WBV_A_SAMA402_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.
1b4e PROTEIN
(5-AMINOLEVULINIC
ACID DEHYDRATASE)

(Escherichia
coli) 		PF00490
(ALAD) 		5 SER A  82
GLY A  97
ALA A 100
CYH A 122
CYH A 120
 None
None
None
ZN  A 405 (-2.3A)
ZN  A 405 (-2.1A)
 1.44A 5wbvA-1b4eA:
0.0		 5wbvA-1b4eA:
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.
1db3 GDP-MANNOSE
4,6-DEHYDRATASE

(Escherichia
coli) 		PF16363
(GDP_Man_Dehyd) 		5 TYR A 156
SER A 154
ALA A 106
SER A  97
GLU A 134
 None
 1.28A 5wbvA-1db3A:
0.0		 5wbvA-1db3A:
20.71
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.
1ex0 COAGULATION FACTOR
XIII A CHAIN

(Homo sapiens) 		PF00868
(Transglut_N)
PF00927
(Transglut_C)
PF01841
(Transglut_core) 		5 GLY A 410
ALA A 412
PHE A 430
CYH A 314
CYH A 374
 None
 1.20A 5wbvA-1ex0A:
0.0		 5wbvA-1ex0A:
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.
1hjv CHITINASE-3 LIKE
PROTEIN 1

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		5 SER A 252
GLY A 348
ALA A 349
PHE A 200
SER A 175
 None
 1.29A 5wbvA-1hjvA:
undetectable		 5wbvA-1hjvA:
21.47
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.
1hkk CHITOTRIOSIDASE-1

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		5 SER A 258
GLY A 354
ALA A 355
PHE A 206
SER A 181
 None
 1.26A 5wbvA-1hkkA:
0.0		 5wbvA-1hkkA:
21.84
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.
1lox 15-LIPOXYGENASE

(Oryctolagus
cuniculus) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		5 TYR A 461
SER A 459
GLY A 236
ALA A 237
PHE A 233
 None
 0.98A 5wbvA-1loxA:
undetectable		 5wbvA-1loxA:
17.65
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.
1ofe FERREDOXIN-DEPENDENT
GLUTAMATE SYNTHASE 2

(Synechocystis
sp. PCC 6803) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		5 SER A 543
ALA A 654
SER A 706
TYR A 703
CYH A 665
 None
 1.40A 5wbvA-1ofeA:
0.0		 5wbvA-1ofeA:
10.46
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.
1ukf AVIRULENCE PROTEIN
AVRPPH3

(Pseudomonas
savastanoi) 		PF03543
(Peptidase_C58) 		5 SER A 109
ALA A  88
PHE A 226
CYH A 218
GLU A 219
 None
 1.25A 5wbvA-1ukfA:
0.0		 5wbvA-1ukfA:
19.58
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.
1wb0 CHITOTRIOSIDASE 1

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		5 SER A 258
GLY A 356
ALA A 357
PHE A 206
SER A 181
 None
 1.21A 5wbvA-1wb0A:
undetectable		 5wbvA-1wb0A:
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.
2cb9 FENGYCIN SYNTHETASE

(Bacillus
subtilis) 		PF00975
(Thioesterase) 		5 GLY A 199
ALA A 200
SER A  84
TYR A 113
PHE A 166
 None
None
ACY  A1225 (-2.5A)
None
None
 1.02A 5wbvA-2cb9A:
undetectable		 5wbvA-2cb9A:
21.89
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.
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 GLY A 321
ALA A 400
SER A 333
HIS A 457
GLU A 356
 NAD  A1001 ( 4.0A)
NAD  A1001 (-4.7A)
None
None
None
 1.38A 5wbvA-2d3tA:
undetectable		 5wbvA-2d3tA:
16.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nnj CYTOCHROME P450 2C8

(Homo sapiens) 		PF00067
(p450) 		5 TYR A  80
GLY A  79
ALA A  82
SER A 429
GLU A 400
 None
None
None
HEM  A 500 (-2.9A)
None
 1.47A 5wbvA-2nnjA:
undetectable		 5wbvA-2nnjA:
20.22
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.
2rgj FLAVIN-CONTAINING
MONOOXYGENASE

(Pseudomonas
aeruginosa) 		PF01494
(FAD_binding_3) 		5 GLY A  63
ALA A  58
SER A  18
HIS A  24
GLU A 119
 None
 1.35A 5wbvA-2rgjA:
undetectable		 5wbvA-2rgjA:
18.78
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.
2vqd BIOTIN CARBOXYLASE

(Pseudomonas
aeruginosa) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 GLY A 163
ALA A 160
SER A 118
PHE A 286
GLU A 276
 None
None
None
None
MG  A1449 ( 2.7A)
 1.47A 5wbvA-2vqdA:
undetectable		 5wbvA-2vqdA:
20.04
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.
2ww2 ALPHA-1,2-MANNOSIDAS
E

(Bacteroides
thetaiotaomicron) 		PF07971
(Glyco_hydro_92) 		5 SER A 755
ALA A 499
PHE A 548
SER A 546
GLU A 552
 None
 1.49A 5wbvA-2ww2A:
undetectable		 5wbvA-2ww2A:
16.22
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.
2yd0 ENDOPLASMIC
RETICULUM
AMINOPEPTIDASE 1

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		5 GLY A 377
ALA A 442
PHE A 360
TYR A 293
GLU A 354
 None
None
None
None
BES  A1950 (-3.3A)
 1.42A 5wbvA-2yd0A:
undetectable		 5wbvA-2yd0A:
14.43
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.
3e3m TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY

(Ruegeria
pomeroyi) 		PF13377
(Peripla_BP_3) 		5 GLY A 226
ALA A 227
SER A 256
PHE A 190
GLU A 222
 None
 1.26A 5wbvA-3e3mA:
undetectable		 5wbvA-3e3mA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gg4 GLYCEROL KINASE

(Yersinia
pseudotuberculosis) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 GLY A 485
ALA A 482
PHE A  78
HIS A 257
CYH A 182
 None
 1.42A 5wbvA-3gg4A:
undetectable		 5wbvA-3gg4A:
19.02
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.
3grk ENOYL-(ACYL-CARRIER-
PROTEIN) REDUCTASE
(NADH)

(Brucella
melitensis) 		PF13561
(adh_short_C2) 		5 TYR A 150
SER A 191
GLY A 253
ALA A 217
GLU A 153
 None
 1.30A 5wbvA-3grkA:
undetectable		 5wbvA-3grkA:
20.32
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.
3hsk ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Candida
albicans) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 SER A 106
GLY A  10
ALA A  36
PHE A  97
SER A  96
 None
NAP  A 366 (-3.3A)
NAP  A 366 (-3.4A)
None
None
 1.42A 5wbvA-3hskA:
undetectable		 5wbvA-3hskA:
21.45
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.
3iab RIBONUCLEASES P/MRP
PROTEIN SUBUNIT POP7

(Saccharomyces
cerevisiae) 		PF12328
(Rpp20) 		5 GLY B  67
ALA B  71
SER B  43
HIS B  81
PHE B  82
 A  R  91 ( 3.2A)
A  R  91 ( 3.7A)
U  R  89 ( 2.8A)
None
None
 1.25A 5wbvA-3iabB:
undetectable		 5wbvA-3iabB:
22.27
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.
3l01 GLGA GLYCOGEN
SYNTHASE

(Pyrococcus
abyssi) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		5 GLY A 342
ALA A 345
PHE A 412
SER A 411
GLU A  20
 K  A5600 (-4.4A)
None
None
None
None
 1.31A 5wbvA-3l01A:
undetectable		 5wbvA-3l01A:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lew SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN

(Bacteroides
vulgatus) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 GLY A  67
ALA A  68
PHE A 307
SER A 306
PHE A 352
 None
 1.30A 5wbvA-3lewA:
undetectable		 5wbvA-3lewA:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n71 HISTONE LYSINE
METHYLTRANSFERASE
SMYD1

(Mus musculus) 		PF00856
(SET)
PF01753
(zf-MYND) 		5 HIS A 206
TYR A 252
PHE A 272
CYH A 274
CYH A 276
 None
SFG  A 491 (-4.8A)
SFG  A 491 (-3.7A)
ZN  A 497 (-2.2A)
ZN  A 497 (-2.5A)
 1.08A 5wbvA-3n71A:
5.9		 5wbvA-3n71A:
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.
3nqi PUTATIVE LIPOPROTEIN

(Bacteroides
fragilis) 		no annotation 5 GLY A 100
SER A 210
HIS A 169
TYR A 151
PHE A 171
 None
PEG  A 329 (-3.6A)
None
None
None
 1.37A 5wbvA-3nqiA:
undetectable		 5wbvA-3nqiA:
19.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4au7 HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H2

(Mus musculus) 		PF00856
(SET) 		10 TYR A 114
GLY A 120
ALA A 121
PHE A 160
HIS A 183
TYR A 217
PHE A 222
CYH A 229
GLU A 230
CYH A 231
 SAH  A1247 ( 3.6A)
SAH  A1247 (-3.2A)
SAH  A1247 (-4.1A)
None
SAH  A1247 (-4.6A)
None
SAH  A1247 (-4.0A)
ZN  A1248 ( 2.3A)
EDO  A1251 ( 2.8A)
ZN  A1248 ( 2.2A)
 0.38A 5wbvA-4au7A:
33.3		 5wbvA-4au7A:
60.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4au7 HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H2

(Mus musculus) 		PF00856
(SET) 		10 TYR A 114
GLY A 120
ALA A 121
SER A 161
HIS A 183
TYR A 217
PHE A 222
CYH A 229
GLU A 230
CYH A 231
 SAH  A1247 ( 3.6A)
SAH  A1247 (-3.2A)
SAH  A1247 (-4.1A)
None
SAH  A1247 (-4.6A)
None
SAH  A1247 (-4.0A)
ZN  A1248 ( 2.3A)
EDO  A1251 ( 2.8A)
ZN  A1248 ( 2.2A)
 0.63A 5wbvA-4au7A:
33.3		 5wbvA-4au7A:
60.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4au7 HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H2

(Mus musculus) 		PF00856
(SET) 		5 TYR A 114
SER A 115
CYH A 229
GLU A 230
CYH A 231
 SAH  A1247 ( 3.6A)
EDO  A1251 (-3.1A)
ZN  A1248 ( 2.3A)
EDO  A1251 ( 2.8A)
ZN  A1248 ( 2.2A)
 1.45A 5wbvA-4au7A:
33.3		 5wbvA-4au7A:
60.00
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.
4c2k 3-KETOACYL-COA
THIOLASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 SER A 186
GLY A 248
ALA A 247
HIS A 352
GLU A 321
 None
 1.35A 5wbvA-4c2kA:
undetectable		 5wbvA-4c2kA:
21.08
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.
4c8y CAS6A

(Thermus
thermophilus) 		PF10040
(CRISPR_Cas6) 		5 TYR A 231
SER A 124
GLY A 191
ALA A 190
PHE A  48
 None
 1.04A 5wbvA-4c8yA:
undetectable		 5wbvA-4c8yA:
21.22
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.
4gkv ALCOHOL
DEHYDROGENASE,
PROPANOL-PREFERRING

(Escherichia
coli) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  62
ALA A  80
HIS A  58
CYH A  37
CYH A 145
 None
None
ZN  A 402 (-3.3A)
ZN  A 402 ( 2.4A)
ZN  A 402 ( 2.3A)
 1.45A 5wbvA-4gkvA:
undetectable		 5wbvA-4gkvA:
20.78
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.
4id9 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE

(Agrobacterium
fabrum) 		PF01370
(Epimerase) 		5 GLY A 247
ALA A 246
SER A  94
HIS A  63
GLU A 140
 None
 1.25A 5wbvA-4id9A:
undetectable		 5wbvA-4id9A:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lfe GERANYLGERANYL
DIPHOSPHATE SYNTHASE

(Streptococcus
uberis) 		PF00348
(polyprenyl_synt) 		5 GLY A 117
ALA A 115
HIS A  12
GLU A  17
CYH A  16
 None
 1.36A 5wbvA-4lfeA:
undetectable		 5wbvA-4lfeA:
20.94
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.
4lg9 F-BOX-LIKE/WD
REPEAT-CONTAINING
PROTEIN TBL1XR1

(Homo sapiens) 		PF00400
(WD40) 		5 SER A 447
GLY A 485
SER A 479
CYH A 490
GLU A 488
 None
 1.47A 5wbvA-4lg9A:
undetectable		 5wbvA-4lg9A:
20.29
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.
4lir NUCLEOPORIN NUP53

(Homo sapiens) 		PF05172
(Nup35_RRM) 		5 SER A 174
GLY A 197
ALA A 194
HIS A 212
CYH A 243
 None
 1.45A 5wbvA-4lirA:
undetectable		 5wbvA-4lirA:
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.
4mz0 CURL

(Moorea
producens) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 SER A 447
GLY A 393
ALA A 392
SER A 211
GLU A 355
 None
 1.43A 5wbvA-4mz0A:
undetectable		 5wbvA-4mz0A:
14.05
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.
4p5i CHEMOKINE BINDING
PROTEIN

(Orf virus) 		PF02250
(Orthopox_35kD) 		5 GLY A 269
SER A 125
HIS A  21
PHE A  17
GLU A  13
 None
 1.18A 5wbvA-4p5iA:
undetectable		 5wbvA-4p5iA:
19.54
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.
4qyr AT-LESS POLYKETIDE
SYNTHASE

(Streptomyces
platensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 SER A2959
GLY A2900
ALA A2899
SER A2713
GLU A2855
 None
 1.45A 5wbvA-4qyrA:
undetectable		 5wbvA-4qyrA:
15.81
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.
4tkt AT-LESS POLYKETIDE
SYNTHASE

(Streptomyces
platensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 SER A3559
GLY A3504
ALA A3503
SER A3322
GLU A3466
 None
 1.49A 5wbvA-4tktA:
undetectable		 5wbvA-4tktA:
18.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4trq NUCLEAR MRNA EXPORT
PROTEIN SAC3
NUCLEAR MRNA EXPORT
PROTEIN THP1

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF03399
(SAC3_GANP)
PF01399
(PCI) 		5 SER A 407
ALA A 399
PHE A 429
HIS B 395
GLU B 336
 None
 1.34A 5wbvA-4trqA:
undetectable		 5wbvA-4trqA:
21.88
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.
4u60 STRUCTURAL PROTEIN
VP1

(Human
polyomavirus 8) 		PF00718
(Polyoma_coat) 		5 TYR A  91
SER A 268
GLY A 207
ALA A 208
CYH A 215
 None
 1.23A 5wbvA-4u60A:
undetectable		 5wbvA-4u60A:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4w6z ALCOHOL
DEHYDROGENASE 1

(Saccharomyces
cerevisiae) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  70
ALA A  88
HIS A  66
CYH A  43
CYH A 153
 None
None
ZN  A 401 ( 3.1A)
ZN  A 401 (-2.2A)
ZN  A 401 (-2.3A)
 1.37A 5wbvA-4w6zA:
undetectable		 5wbvA-4w6zA:
19.94
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.
4w6z ALCOHOL
DEHYDROGENASE 1

(Saccharomyces
cerevisiae) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 SER A  40
GLY A  70
ALA A  88
CYH A  43
CYH A 153
 None
None
None
ZN  A 401 (-2.2A)
ZN  A 401 (-2.3A)
 1.33A 5wbvA-4w6zA:
undetectable		 5wbvA-4w6zA:
19.94
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.
4win GMP SYNTHETASE

(Plasmodium
falciparum) 		PF00117
(GATase) 		5 GLY A 101
SER A  61
HIS A 170
CYH A 190
CYH A 193
 None
 1.42A 5wbvA-4winA:
undetectable		 5wbvA-4winA:
21.03
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.
4yfg RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE DELTA

(Mus musculus) 		no annotation 5 TYR B 386
ALA B 333
SER B 376
HIS B 355
PHE B 388
 None
 1.40A 5wbvA-4yfgB:
undetectable		 5wbvA-4yfgB:
19.83
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.
4zo6 LIN1840 PROTEIN

(Listeria
innocua) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 GLY A  58
ALA A  57
PHE A  88
SER A  63
PHE A 135
 None
None
None
None
BGC  A 802 (-4.3A)
 0.99A 5wbvA-4zo6A:
undetectable		 5wbvA-4zo6A:
16.48
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.
5a6f GATING RING OF
POTASSIUM CHANNEL
SUBFAMILY T MEMBER 1

(Gallus gallus) 		PF03493
(BK_channel_a) 		5 TYR C 788
GLY C 786
PHE C 790
PHE C 826
CYH C 825
 None
 1.47A 5wbvA-5a6fC:
undetectable		 5wbvA-5a6fC:
17.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5by3 BTGH115A

(Bacteroides
thetaiotaomicron) 		PF15979
(Glyco_hydro_115) 		5 TYR A 211
GLY A 164
ALA A 208
PHE A 238
PHE A 222
 None
 1.32A 5wbvA-5by3A:
undetectable		 5wbvA-5by3A:
15.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5cpr HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1

(Homo sapiens) 		PF00856
(SET) 		6 TYR B 203
SER B 204
GLY B 209
CYH B 319
GLU B 320
CYH B 321
 SAM  B 402 (-3.7A)
None
SAM  B 402 (-3.4A)
ZN  B 401 ( 2.3A)
SAM  B 402 (-4.6A)
ZN  B 401 ( 2.2A)
 1.17A 5wbvA-5cprB:
37.6		 5wbvA-5cprB:
97.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5cpr HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1

(Homo sapiens) 		PF00856
(SET) 		11 TYR B 203
SER B 205
GLY B 209
ALA B 210
PHE B 250
HIS B 273
TYR B 307
PHE B 312
CYH B 319
GLU B 320
CYH B 321
 SAM  B 402 (-3.7A)
SAM  B 402 (-2.7A)
SAM  B 402 (-3.4A)
SAM  B 402 (-3.9A)
None
SAM  B 402 (-4.5A)
539  B 403 ( 3.9A)
SAM  B 402 (-3.7A)
ZN  B 401 ( 2.3A)
SAM  B 402 (-4.6A)
ZN  B 401 ( 2.2A)
 0.49A 5wbvA-5cprB:
37.6		 5wbvA-5cprB:
97.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5cpr HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1

(Homo sapiens) 		PF00856
(SET) 		11 TYR B 203
SER B 205
GLY B 209
ALA B 210
SER B 251
HIS B 273
TYR B 307
PHE B 312
CYH B 319
GLU B 320
CYH B 321
 SAM  B 402 (-3.7A)
SAM  B 402 (-2.7A)
SAM  B 402 (-3.4A)
SAM  B 402 (-3.9A)
SAM  B 402 (-3.9A)
SAM  B 402 (-4.5A)
539  B 403 ( 3.9A)
SAM  B 402 (-3.7A)
ZN  B 401 ( 2.3A)
SAM  B 402 (-4.6A)
ZN  B 401 ( 2.2A)
 0.60A 5wbvA-5cprB:
37.6		 5wbvA-5cprB:
97.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dfm MALTOSE-BINDING
PERIPLASMIC
PROTEIN,TELOMERASE-A
SSOCIATED PROTEIN 19

(Escherichia
coli;
Tetrahymena
thermophila) 		PF13416
(SBP_bac_8) 		5 SER A 337
GLY A  68
ALA A  71
TYR A 381
GLU A  45
 None
 1.11A 5wbvA-5dfmA:
undetectable		 5wbvA-5dfmA:
18.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e6k POLYKETIDE SYNTHASE
PKSL

(Bacillus
subtilis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 SER A 408
GLY A 353
ALA A 352
SER A 171
GLU A 315
 None
 1.48A 5wbvA-5e6kA:
undetectable		 5wbvA-5e6kA:
18.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eno MULTIDRUG EFFLUX
PUMP SUBUNIT
ACRB,MULTIDRUG
EFFLUX PUMP SUBUNIT
ACRB

(Escherichia
coli) 		PF00873
(ACR_tran) 		5 SER A  46
GLY A 619
ALA A 618
SER A  79
GLU A 130
 None
 1.47A 5wbvA-5enoA:
undetectable		 5wbvA-5enoA:
17.05
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.
5eny POLYKETIDE SYNTHASE
PKSL

(Bacillus
subtilis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 SER A 408
GLY A 353
ALA A 352
SER A 171
GLU A 315
 None
 1.48A 5wbvA-5enyA:
undetectable		 5wbvA-5enyA:
17.50
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.
5erb POLYKETIDE SYNTHASE

(Bacillus
amyloliquefaciens) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 SER A 430
GLY A 367
ALA A 366
SER A 185
GLU A 329
 None
 1.45A 5wbvA-5erbA:
undetectable		 5wbvA-5erbA:
18.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gnw BLR0248 PROTEIN

(Bradyrhizobium
diazoefficiens) 		no annotation 5 TYR C 118
GLY C 114
ALA C  26
PHE C  96
CYH C  18
 None
 1.17A 5wbvA-5gnwC:
undetectable		 5wbvA-5gnwC:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n8p S-LAYER PROTEIN

(Caulobacter
vibrioides) 		PF00353
(HemolysinCabind) 		5 SER A 661
GLY A 705
ALA A 704
SER A 687
GLU A 624
 None
 1.46A 5wbvA-5n8pA:
undetectable		 5wbvA-5n8pA:
11.39
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.
5n97 S-LAYER PROTEIN RSAA

(Caulobacter
vibrioides) 		PF00353
(HemolysinCabind) 		5 SER A 661
GLY A 705
ALA A 704
SER A 687
GLU A 624
 None
 1.46A 5wbvA-5n97A:
undetectable		 5wbvA-5n97A:
13.16
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.
5nit GLUCOSE OXIDASE

(Aspergillus
niger) 		no annotation 5 TYR A  54
SER A  53
GLY A 101
ALA A 228
GLU A   5
 None
 1.41A 5wbvA-5nitA:
undetectable		 5wbvA-5nitA:
17.57
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.
5tf4 ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADH]

(Bartonella
henselae) 		PF13561
(adh_short_C2) 		5 TYR A 150
SER A 191
GLY A 253
ALA A 217
GLU A 153
 None
 1.31A 5wbvA-5tf4A:
undetectable		 5wbvA-5tf4A:
23.57
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.
5xep CHITINASE-3-LIKE
PROTEIN 1

(Mus musculus) 		no annotation 5 SER A 253
GLY A 349
ALA A 350
PHE A 201
SER A 176
 None
 1.17A 5wbvA-5xepA:
undetectable		 5wbvA-5xepA:
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.
6azt ASPARAGINYL
ENDOPEPTIDASE 1

(Helianthus
annuus) 		no annotation 5 SER A 248
GLY A 243
ALA A 244
HIS A 178
GLU A 218
 None
None
None
SNN  A 177 (-3.6A)
None
 1.36A 5wbvA-6aztA:
undetectable		 5wbvA-6aztA:
undetectable