SIMILAR PATTERNS OF AMINO ACIDS FOR 4WS1_A_URFA301_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.
1flz URACIL-DNA
GLYCOSYLASE


(Escherichia
coli)
PF03167
(UDG)
6 GLY A  62
TYR A  66
PHE A  77
SER A  88
ASN A 123
HIS A 187
URA  A 230 ( 4.1A)
URA  A 230 (-3.2A)
URA  A 230 (-3.6A)
URA  A 230 ( 4.9A)
URA  A 230 (-2.9A)
URA  A 230 (-4.1A)
0.32A 4ws1A-1flzA:
30.3
4ws1A-1flzA:
36.78
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.
1gl9 REVERSE GYRASE

(Archaeoglobus
fulgidus)
PF00270
(DEAD)
PF01131
(Topoisom_bac)
PF01751
(Toprim)
4 GLY B 821
GLN B 822
PHE B 887
SER B 890
None
0.76A 4ws1A-1gl9B:
3.4
4ws1A-1gl9B:
13.33
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.
1l9g CONSERVED
HYPOTHETICAL PROTEIN


(Thermotoga
maritima)
PF03167
(UDG)
4 GLY A  45
PHE A  59
ASN A  85
HIS A 161
None
0.48A 4ws1A-1l9gA:
10.1
4ws1A-1l9gA:
22.13
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.
1nhy ELONGATION FACTOR
1-GAMMA 1


(Saccharomyces
cerevisiae)
PF00043
(GST_C)
PF02798
(GST_N)
4 GLY A   4
GLN A   3
TYR A  58
PHE A  52
None
0.99A 4ws1A-1nhyA:
undetectable
4ws1A-1nhyA:
22.59
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.
1oe5 SINGLE-STRAND
SELECTIVE
MONOFUNCTIONAL
URACIL DNA
GLYCOSYLASE


(Xenopus laevis)
no annotation 5 GLY A  94
PHE A 109
SER A 148
ASN A 174
HIS A 250
URA  A1282 (-3.6A)
URA  A1282 (-3.6A)
URA  A1282 ( 4.4A)
URA  A1282 (-3.0A)
URA  A1282 (-4.1A)
0.45A 4ws1A-1oe5A:
9.7
4ws1A-1oe5A:
25.45
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.
1u6g TIP120 PROTEIN

(Homo sapiens)
PF08623
(TIP120)
4 GLY C 749
GLN C 748
SER C 753
SER C 798
None
1.00A 4ws1A-1u6gC:
undetectable
4ws1A-1u6gC:
12.14
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.
1ui1 URACIL-DNA
GLYCOSYLASE


(Thermus
thermophilus)
PF03167
(UDG)
4 GLY A  40
PHE A  54
ASN A  80
HIS A 155
None
0.55A 4ws1A-1ui1A:
8.9
4ws1A-1ui1A:
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.
1v6c ALKALINE SERINE
PROTEASE


(Pseudoalteromonas
sp. AS-11)
PF00082
(Peptidase_S8)
PF02225
(PA)
4 GLY A  22
TYR A 385
SER A  17
ASN A  23
None
0.96A 4ws1A-1v6cA:
undetectable
4ws1A-1v6cA:
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.
1w74 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
A


(Mycobacterium
tuberculosis)
PF00160
(Pro_isomerase)
4 GLY A  91
TYR A  95
SER A 125
SER A  53
None
1.03A 4ws1A-1w74A:
undetectable
4ws1A-1w74A:
28.82
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.
1yiq QUINOHEMOPROTEIN
ALCOHOL
DEHYDROGENASE


(Pseudomonas
putida)
PF01011
(PQQ)
PF13360
(PQQ_2)
PF13442
(Cytochrome_CBB3)
4 GLY A 437
TYR A 430
PHE A 546
SER A 607
None
1.03A 4ws1A-1yiqA:
undetectable
4ws1A-1yiqA:
17.80
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.
1yox HYPOTHETICAL PROTEIN
PA3696


(Pseudomonas
aeruginosa)
PF01987
(AIM24)
4 GLY A 178
TYR A  94
SER A 226
SER A 116
None
0.93A 4ws1A-1yoxA:
undetectable
4ws1A-1yoxA:
24.48
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.
2aey FRUCTAN
1-EXOHYDROLASE IIA


(Cichorium
intybus)
PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C)
4 GLY A  10
SER A 363
ASN A 530
HIS A 478
None
0.98A 4ws1A-2aeyA:
undetectable
4ws1A-2aeyA:
17.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bas YKUI PROTEIN

(Bacillus
subtilis)
PF00563
(EAL)
PF10388
(YkuI_C)
4 GLY A 319
SER A 345
PHE A 350
ASN A 343
None
1.00A 4ws1A-2basA:
undetectable
4ws1A-2basA:
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.
2dws COPPER-CONTAINING
NITRITE REDUCTASE


(Rhodobacter
sphaeroides)
PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3)
4 GLY A 211
SER A 213
SER A 284
HIS A 277
None
0.95A 4ws1A-2dwsA:
undetectable
4ws1A-2dwsA:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fv0 UNSATURATED
GLUCURONYL HYDROLASE


(Bacillus sp.
GL1)
PF07470
(Glyco_hydro_88)
4 GLY A  45
SER A  96
PHE A  74
SER A  73
None
1.02A 4ws1A-2fv0A:
undetectable
4ws1A-2fv0A:
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.
2ijd PICORNAIN 3C,
RNA-DIRECTED RNA
POLYMERASE


(Enterovirus C)
PF00548
(Peptidase_C3)
PF00680
(RdRP_1)
4 GLY 1 354
GLN 1 353
SER 1 356
SER 1 347
None
None
None
SO4  1 648 (-3.0A)
0.86A 4ws1A-2ijd1:
undetectable
4ws1A-2ijd1:
16.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2j8x URACIL-DNA
GLYCOSYLASE


(Human
gammaherpesvirus
4)
PF03167
(UDG)
5 GLY A  89
GLN A  90
PHE A 103
SER A 114
ASN A 149
None
0.60A 4ws1A-2j8xA:
28.9
4ws1A-2j8xA:
36.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2j8x URACIL-DNA
GLYCOSYLASE


(Human
gammaherpesvirus
4)
PF03167
(UDG)
5 GLY A  89
GLN A  90
TYR A  93
PHE A 103
ASN A 149
None
0.75A 4ws1A-2j8xA:
28.9
4ws1A-2j8xA:
36.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2j8x URACIL-DNA
GLYCOSYLASE


(Human
gammaherpesvirus
4)
PF03167
(UDG)
4 GLY A  89
PHE A 103
SER A 114
HIS A 213
None
0.70A 4ws1A-2j8xA:
28.9
4ws1A-2j8xA:
36.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2jhq URACIL
DNA-GLYCOSYLASE


(Vibrio cholerae)
PF03167
(UDG)
4 GLY A  62
GLN A  63
TYR A  66
ASN A 123
None
0.75A 4ws1A-2jhqA:
30.6
4ws1A-2jhqA:
38.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2jhq URACIL
DNA-GLYCOSYLASE


(Vibrio cholerae)
PF03167
(UDG)
6 GLY A  62
TYR A  66
PHE A  77
SER A  88
ASN A 123
HIS A 187
None
None
None
CL  A1227 (-3.0A)
None
None
0.67A 4ws1A-2jhqA:
30.6
4ws1A-2jhqA:
38.43
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.
2qom SERINE PROTEASE ESPP

(Escherichia
coli)
PF03797
(Autotransporter)
4 GLY A1246
TYR A1150
SER A1148
HIS A1128
None
0.94A 4ws1A-2qomA:
undetectable
4ws1A-2qomA:
23.37
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.
2qx2 SEX PHEROMONE
STAPH-CAM373


(Staphylococcus
aureus)
PF07537
(CamS)
4 GLY A 186
TYR A 101
PHE A  94
SER A  90
None
None
EDO  A 400 ( 4.7A)
None
0.94A 4ws1A-2qx2A:
undetectable
4ws1A-2qx2A:
19.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wp7 PPPDE PEPTIDASE
DOMAIN-CONTAINING
PROTEIN 2


(Mus musculus)
PF05903
(Peptidase_C97)
4 GLY A 158
SER A  56
PHE A  49
SER A  40
None
1.03A 4ws1A-2wp7A:
undetectable
4ws1A-2wp7A:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x5n 26S PROTEASOME
REGULATORY SUBUNIT
RPN10


(Schizosaccharomyces
pombe)
PF13519
(VWA_2)
4 GLY A 188
GLN A 189
SER A 185
SER A 179
None
0.99A 4ws1A-2x5nA:
undetectable
4ws1A-2x5nA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xz4 PEPTIDOGLYCAN-RECOGN
ITION PROTEIN LF


(Drosophila
melanogaster)
PF01510
(Amidase_2)
4 GLY A 142
GLN A 141
SER A 154
ASN A 123
None
0.92A 4ws1A-2xz4A:
undetectable
4ws1A-2xz4A:
19.33
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.
2yoc PULLULANASE

(Klebsiella
oxytoca)
PF02922
(CBM_48)
PF03714
(PUD)
PF11852
(DUF3372)
4 GLN A 531
SER A 874
PHE A 886
SER A 882
None
0.86A 4ws1A-2yocA:
undetectable
4ws1A-2yocA:
12.18
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.
2yoc PULLULANASE

(Klebsiella
oxytoca)
PF02922
(CBM_48)
PF03714
(PUD)
PF11852
(DUF3372)
5 GLY A 775
TYR A 800
SER A 721
SER A 727
ASN A 779
None
1.24A 4ws1A-2yocA:
undetectable
4ws1A-2yocA:
12.18
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.
2zzr UNSATURATED
GLUCURONYL HYDROLASE


(Streptococcus
agalactiae)
PF07470
(Glyco_hydro_88)
4 GLY A  72
SER A 123
PHE A 101
SER A 100
None
1.02A 4ws1A-2zzrA:
undetectable
4ws1A-2zzrA:
18.89
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.
3aiz DNA POLYMERASE
SLIDING CLAMP B


(Sulfurisphaera
tokodaii)
PF00705
(PCNA_N)
PF02747
(PCNA_C)
4 GLY A 238
GLN A 239
SER A 236
SER A 215
None
0.97A 4ws1A-3aizA:
undetectable
4ws1A-3aizA:
22.10
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.
3b2y METALLOPEPTIDASE
CONTAINING
CO-CATALYTIC
METALLOACTIVE SITE


(Shewanella
denitrificans)
PF04952
(AstE_AspA)
4 GLY A 264
GLN A 265
TYR A 202
SER A 260
None
0.90A 4ws1A-3b2yA:
2.1
4ws1A-3b2yA:
21.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3cxm URACIL-DNA
GLYCOSYLASE


(Leishmania
naiffi)
PF03167
(UDG)
6 GLY A 204
GLN A 205
TYR A 208
PHE A 219
SER A 230
ASN A 265
URB  A 401 ( 3.5A)
None
URB  A 401 ( 3.3A)
URB  A 401 ( 4.1A)
BR  A 403 (-3.4A)
URB  A 401 ( 2.9A)
0.99A 4ws1A-3cxmA:
29.7
4ws1A-3cxmA:
39.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3cxm URACIL-DNA
GLYCOSYLASE


(Leishmania
naiffi)
PF03167
(UDG)
4 TYR A 208
PHE A 219
SER A 230
HIS A 331
URB  A 401 ( 3.3A)
URB  A 401 ( 4.1A)
BR  A 403 (-3.4A)
URB  A 401 (-4.6A)
0.63A 4ws1A-3cxmA:
29.7
4ws1A-3cxmA:
39.92
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.
3e9y ACETOLACTATE
SYNTHASE,
CHLOROPLASTIC


(Arabidopsis
thaliana)
PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
4 GLY A 514
PHE A 149
SER A 177
ASN A 544
None
0.97A 4ws1A-3e9yA:
undetectable
4ws1A-3e9yA:
18.23
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.
3ehe UDP-GLUCOSE
4-EPIMERASE (GALE-1)


(Archaeoglobus
fulgidus)
PF01370
(Epimerase)
5 GLY A 170
SER A 173
PHE A  12
SER A  15
HIS A  16
None
1.27A 4ws1A-3eheA:
undetectable
4ws1A-3eheA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f5f MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HEPARAN SULFATE
2-O-SULFOTRANSFERASE
1


(Escherichia
coli;
Gallus gallus)
PF03567
(Sulfotransfer_2)
PF13416
(SBP_bac_8)
4 GLY A1223
GLN A1239
TYR A1159
SER A1144
None
0.91A 4ws1A-3f5fA:
undetectable
4ws1A-3f5fA:
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.
3h1w MANNOSE-6-PHOSPHATE
ISOMERASE


(Salmonella
enterica)
PF01238
(PMI_typeI)
4 GLY A 192
GLN A 191
SER A 196
SER A 228
None
None
None
EDO  A 393 ( 3.5A)
1.00A 4ws1A-3h1wA:
undetectable
4ws1A-3h1wA:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hl1 FERRITIN LIKE
PROTEIN


(Caulobacter
vibrioides)
PF12902
(Ferritin-like)
4 GLY A 205
GLN A 204
TYR A  28
HIS A  56
UNL  A 317 (-3.4A)
None
None
UNL  A 317 (-4.2A)
1.00A 4ws1A-3hl1A:
undetectable
4ws1A-3hl1A:
24.11
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.
3ib5 SEX PHEROMONE
PRECURSOR


(Lactobacillus
salivarius)
PF07537
(CamS)
4 GLY A 167
TYR A  52
PHE A  96
SER A  92
None
None
EDO  A   4 (-4.4A)
None
0.97A 4ws1A-3ib5A:
undetectable
4ws1A-3ib5A:
17.45
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.
3k1d 1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME


(Mycobacterium
tuberculosis)
PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48)
4 GLY A 131
TYR A 398
PHE A 217
HIS A 133
None
1.03A 4ws1A-3k1dA:
undetectable
4ws1A-3k1dA:
16.85
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.
3kiz PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
CYCLO-LIGASE


(Cytophaga
hutchinsonii)
PF02769
(AIRS_C)
4 GLY A 203
SER A 262
SER A 206
ASN A 201
None
None
EDO  A 398 (-4.9A)
None
1.03A 4ws1A-3kizA:
undetectable
4ws1A-3kizA:
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.
3mal STROMAL CELL-DERIVED
FACTOR 2-LIKE
PROTEIN


(Arabidopsis
thaliana)
PF02815
(MIR)
4 TYR A  61
SER A 123
SER A 132
HIS A 119
None
0.88A 4ws1A-3malA:
undetectable
4ws1A-3malA:
19.59
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.
3mdo PUTATIVE
PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
CYCLO-LIGASE


(Parabacteroides
distasonis)
PF02769
(AIRS_C)
4 GLY A 202
SER A 261
SER A 205
ASN A 200
None
0.97A 4ws1A-3mdoA:
undetectable
4ws1A-3mdoA:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n71 HISTONE LYSINE
METHYLTRANSFERASE
SMYD1


(Mus musculus)
PF00856
(SET)
PF01753
(zf-MYND)
4 GLY A 175
TYR A 271
PHE A 139
ASN A 134
None
0.89A 4ws1A-3n71A:
undetectable
4ws1A-3n71A:
19.35
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.
3nzq BIOSYNTHETIC
ARGININE
DECARBOXYLASE


(Escherichia
coli)
PF02784
(Orn_Arg_deC_N)
4 GLY A 310
SER A 361
SER A 275
HIS A 272
None
None
SO4  A 701 (-2.6A)
None
1.01A 4ws1A-3nzqA:
undetectable
4ws1A-3nzqA:
16.80
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.
3o21 GLUTAMATE RECEPTOR 3

(Rattus
norvegicus)
PF01094
(ANF_receptor)
4 GLY A 323
GLN A 322
SER A  95
PHE A 109
None
0.97A 4ws1A-3o21A:
2.4
4ws1A-3o21A:
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.
3oqb OXIDOREDUCTASE

(Bradyrhizobium
diazoefficiens)
PF01408
(GFO_IDH_MocA)
4 GLY A 236
GLN A 235
TYR A 239
SER A 187
None
1.01A 4ws1A-3oqbA:
undetectable
4ws1A-3oqbA:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qfh EPIDERMIN LEADER
PEPTIDE PROCESSING
SERINE PROTEASE EPIP


(Staphylococcus
aureus)
PF00082
(Peptidase_S8)
4 GLY A 188
SER A 192
SER A 393
HIS A 187
None
0.98A 4ws1A-3qfhA:
undetectable
4ws1A-3qfhA:
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.
3r6y ASPARTASE

(Bacillus sp.
YM55-1)
PF00206
(Lyase_1)
4 GLY A 354
GLN A 355
SER A 351
ASN A 359
GLY  A 354 ( 0.0A)
GLN  A 355 ( 0.6A)
SER  A 351 ( 0.0A)
ASN  A 359 ( 0.6A)
0.94A 4ws1A-3r6yA:
undetectable
4ws1A-3r6yA:
19.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tih HIV-1 CLADE C
ZM109F.PB4 GP120


(Human
immunodeficiency
virus 1)
PF00516
(GP120)
4 GLY A 237
TYR A 484
SER A 234
PHE A 233
None
0.88A 4ws1A-3tihA:
undetectable
4ws1A-3tihA:
20.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tr7 URACIL-DNA
GLYCOSYLASE


(Coxiella
burnetii)
PF03167
(UDG)
5 GLN A  66
TYR A  69
PHE A  80
SER A  91
ASN A 125
None
1.13A 4ws1A-3tr7A:
30.6
4ws1A-3tr7A:
41.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tr7 URACIL-DNA
GLYCOSYLASE


(Coxiella
burnetii)
PF03167
(UDG)
5 GLY A  65
TYR A  69
PHE A  80
SER A  91
ASN A 125
None
0.83A 4ws1A-3tr7A:
30.6
4ws1A-3tr7A:
41.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tr7 URACIL-DNA
GLYCOSYLASE


(Coxiella
burnetii)
PF03167
(UDG)
4 TYR A  69
PHE A  80
SER A  91
HIS A 189
None
0.78A 4ws1A-3tr7A:
30.6
4ws1A-3tr7A:
41.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wdg URACIL-DNA
GLYCOSYLASE


(Staphylococcus
aureus)
PF03167
(UDG)
6 GLY A  57
GLN A  58
TYR A  61
PHE A  72
SER A  83
ASN A 116
None
0.87A 4ws1A-3wdgA:
30.0
4ws1A-3wdgA:
37.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wdg URACIL-DNA
GLYCOSYLASE


(Staphylococcus
aureus)
PF03167
(UDG)
4 TYR A  61
PHE A  72
SER A  83
HIS A 180
None
0.79A 4ws1A-3wdgA:
30.0
4ws1A-3wdgA:
37.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zoq URACIL-DNA
GLYCOSYLASE


(Bacillus
subtilis)
PF03167
(UDG)
4 GLN A  64
TYR A  67
PHE A  78
ASN A 123
GOL  A1226 ( 4.5A)
None
None
None
1.02A 4ws1A-3zoqA:
31.1
4ws1A-3zoqA:
43.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zoq URACIL-DNA
GLYCOSYLASE


(Bacillus
subtilis)
PF03167
(UDG)
5 GLY A  63
TYR A  67
SER A  77
PHE A  78
ASN A 123
None
0.71A 4ws1A-3zoqA:
31.1
4ws1A-3zoqA:
43.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zoq URACIL-DNA
GLYCOSYLASE


(Bacillus
subtilis)
PF03167
(UDG)
5 GLY A  63
TYR A  67
SER A  77
PHE A  78
SER A  89
None
0.98A 4ws1A-3zoqA:
31.1
4ws1A-3zoqA:
43.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zoq URACIL-DNA
GLYCOSYLASE


(Bacillus
subtilis)
PF03167
(UDG)
5 TYR A  67
SER A  77
PHE A  78
SER A  89
HIS A 187
None
None
None
None
GOL  A1226 (-4.6A)
0.83A 4ws1A-3zoqA:
31.1
4ws1A-3zoqA:
43.28
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.
3zu4 PUTATIVE REDUCTASE
YPO4104/Y4119/YP_401
1


(Yersinia pestis)
PF07055
(Eno-Rase_FAD_bd)
PF12241
(Enoyl_reductase)
PF12242
(Eno-Rase_NADH_b)
4 GLN A 134
SER A 138
PHE A 223
SER A 269
None
NA  A1402 ( 3.8A)
None
None
1.01A 4ws1A-3zu4A:
undetectable
4ws1A-3zu4A:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4aio LIMIT DEXTRINASE

(Hordeum vulgare)
PF02922
(CBM_48)
PF11852
(DUF3372)
4 GLN A 341
SER A 694
PHE A 706
SER A 702
None
1.01A 4ws1A-4aioA:
undetectable
4ws1A-4aioA:
14.56
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata)
PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s)
4 GLY A 339
TYR A 358
PHE A 360
HIS A 154
None
0.94A 4ws1A-4bedA:
undetectable
4ws1A-4bedA:
9.60
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.
4db1 MYOSIN-7

(Homo sapiens)
PF00063
(Myosin_head)
PF02736
(Myosin_N)
4 GLY A 697
PHE A 121
SER A 118
ASN A 696
None
1.00A 4ws1A-4db1A:
undetectable
4ws1A-4db1A:
13.78
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.
4ddw REVERSE GYRASE

(Thermotoga
maritima)
PF00270
(DEAD)
PF01131
(Topoisom_bac)
PF01751
(Toprim)
4 GLY A 863
GLN A 864
PHE A 932
SER A 935
None
0.96A 4ws1A-4ddwA:
2.4
4ws1A-4ddwA:
11.92
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.
4f92 U5 SMALL NUCLEAR
RIBONUCLEOPROTEIN
200 KDA HELICASE


(Homo sapiens)
PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63)
4 GLY B 908
GLN B 911
ASN B 909
HIS B1548
None
0.94A 4ws1A-4f92B:
undetectable
4ws1A-4f92B:
10.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4l5n URACIL-DNA
GLYCOSYLASE


(Human
alphaherpesvirus
1)
PF03167
(UDG)
5 GLY A  86
GLN A  87
TYR A  90
PHE A 101
ASN A 147
None
ACT  A 301 (-3.6A)
None
None
None
0.83A 4ws1A-4l5nA:
28.0
4ws1A-4l5nA:
37.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lyl URACIL-DNA
GLYCOSYLASE


(Gadus morhua)
PF03167
(UDG)
6 GLY A 143
GLN A 144
TYR A 147
PHE A 158
SER A 169
ASN A 204
None
0.92A 4ws1A-4lylA:
30.8
4ws1A-4lylA:
39.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lyl URACIL-DNA
GLYCOSYLASE


(Gadus morhua)
PF03167
(UDG)
4 TYR A 147
PHE A 158
SER A 169
HIS A 268
None
0.76A 4ws1A-4lylA:
30.8
4ws1A-4lylA:
39.58
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.
4nsx U3 SMALL NUCLEOLAR
RNA-ASSOCIATED
PROTEIN 21


(Saccharomyces
cerevisiae)
PF00400
(WD40)
PF12894
(ANAPC4_WD40)
5 GLY A 348
SER A 386
PHE A 378
SER A 368
HIS A 349
None
1.45A 4ws1A-4nsxA:
undetectable
4ws1A-4nsxA:
16.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qt9 PUTATIVE
GLUCOAMYLASE


(Bacteroides
caccae)
PF10091
(Glycoamylase)
4 GLY A 146
SER A  72
PHE A 129
ASN A  71
None
0.99A 4ws1A-4qt9A:
undetectable
4ws1A-4qt9A:
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.
4r12 PUTATIVE
UNCHARACTERIZED
PROTEIN


(Dictyostelium
purpureum)
PF05450
(Nicastrin)
4 GLY A 215
GLN A 216
SER A 504
ASN A 287
None
0.96A 4ws1A-4r12A:
undetectable
4ws1A-4r12A:
16.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uqm URACIL-DNA
GLYCOSYLASE


(Deinococcus
radiodurans)
PF03167
(UDG)
8 GLY A  81
GLN A  82
TYR A  85
SER A  95
PHE A  96
SER A 107
ASN A 142
HIS A 206
None
GOL  A1246 (-3.0A)
CL  A1245 (-4.3A)
None
None
None
CL  A1245 (-4.0A)
None
0.71A 4ws1A-4uqmA:
33.6
4ws1A-4uqmA:
45.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4wrw URACIL-DNA
GLYCOSYLASE


(Mycobacterium
tuberculosis)
PF03167
(UDG)
7 GLY A  66
GLN A  67
TYR A  70
SER A  80
PHE A  81
SER A  93
ASN A 127
GOL  A 307 (-3.5A)
None
GOL  A 307 (-3.5A)
None
GOL  A 307 (-3.5A)
CL  A 301 ( 3.1A)
GOL  A 307 (-2.8A)
0.76A 4ws1A-4wrwA:
38.3
4ws1A-4wrwA:
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.
4yf6 BETA-CARBONIC
ANHYDRASE 1


(Mycobacterium
tuberculosis)
PF00484
(Pro_CA)
4 GLY A  60
SER A 130
ASN A  58
HIS A  87
ZN  A 200 ( 4.3A)
None
None
None
0.97A 4ws1A-4yf6A:
undetectable
4ws1A-4yf6A:
23.23
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.
4zbz URACIL-DNA
GLYCOSYLASE


(Sulfurisphaera
tokodaii)
PF03167
(UDG)
4 GLY A  41
PHE A  55
ASN A  82
HIS A 164
None
0.31A 4ws1A-4zbzA:
9.7
4ws1A-4zbzA:
18.67
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.
5a0z CHOLINE
TRIMETHYLAMINE LYASE


(Klebsiella
pneumoniae)
PF01228
(Gly_radical)
PF02901
(PFL-like)
4 GLY A1072
GLN A1073
TYR A 766
SER A 748
None
0.97A 4ws1A-5a0zA:
undetectable
4ws1A-5a0zA:
15.36
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.
5ege ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 6


(Mus musculus)
PF01663
(Phosphodiest)
4 GLY A 242
SER A 239
SER A  71
HIS A 354
None
None
ZN  A 509 (-2.0A)
ZN  A 508 (-3.3A)
0.94A 4ws1A-5egeA:
undetectable
4ws1A-5egeA:
19.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g5n LH3
HEXON-INTERLACING
CAPSID PROTEIN


(Snake
atadenovirus A)
PF01696
(Adeno_E1B_55K)
4 GLY A 144
GLN A 122
PHE A 115
SER A 116
None
0.90A 4ws1A-5g5nA:
undetectable
4ws1A-5g5nA:
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.
5gnw BLR0248 PROTEIN

(Bradyrhizobium
diazoefficiens)
no annotation 4 GLY C  55
GLN C  56
ASN C  94
HIS C 168
URA  C 301 ( 3.9A)
None
URA  C 301 (-2.9A)
URA  C 301 (-3.6A)
0.56A 4ws1A-5gnwC:
7.9
4ws1A-5gnwC:
23.13
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.
5h0k UNCHARACTERIZED
PROTEIN


(Pedobacter
heparinus)
PF16265
(DUF4918)
4 GLY A  61
PHE A  76
SER A  99
HIS A 205
None
0.32A 4ws1A-5h0kA:
7.3
4ws1A-5h0kA:
19.69
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.
5h98 GEOBACTER
METALLIREDUCENS
SMUG1


(Geobacter
metallireducens)
no annotation 4 GLY A  56
PHE A  71
SER A 110
ASN A 136
None
0.72A 4ws1A-5h98A:
9.8
4ws1A-5h98A:
25.72
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.
5h98 GEOBACTER
METALLIREDUCENS
SMUG1


(Geobacter
metallireducens)
no annotation 4 GLY A  56
PHE A  71
SER A 110
HIS A 210
None
0.71A 4ws1A-5h98A:
9.8
4ws1A-5h98A:
25.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jk7 URACIL-DNA
GLYCOSYLASE


(Homo sapiens)
PF03167
(UDG)
5 GLY D 143
GLN D 144
TYR D 147
PHE D 158
ASN D 204
None
1.00A 4ws1A-5jk7D:
28.2
4ws1A-5jk7D:
37.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jk7 URACIL-DNA
GLYCOSYLASE


(Homo sapiens)
PF03167
(UDG)
4 GLY D 143
PHE D 158
SER D 169
ASN D 204
None
0.75A 4ws1A-5jk7D:
28.2
4ws1A-5jk7D:
37.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jk7 URACIL-DNA
GLYCOSYLASE


(Homo sapiens)
PF03167
(UDG)
4 GLY D 143
PHE D 158
SER D 169
HIS D 268
None
0.90A 4ws1A-5jk7D:
28.2
4ws1A-5jk7D:
37.66
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.
5jx3 URACIL-DNA
GLYCOSYLASE


(Vaccinia virus)
no annotation 5 GLY A  66
TYR A  70
PHE A  79
SER A  88
ASN A 120
GOL  A 402 (-3.1A)
GOL  A 402 (-3.6A)
GOL  A 402 (-3.8A)
GOL  A 402 (-3.5A)
GOL  A 402 (-2.7A)
0.80A 4ws1A-5jx3A:
21.8
4ws1A-5jx3A:
24.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jx3 URACIL-DNA
GLYCOSYLASE


(Vaccinia virus)
no annotation 4 GLY A  66
TYR A  70
SER A  88
HIS A 181
GOL  A 402 (-3.1A)
GOL  A 402 (-3.6A)
GOL  A 402 (-3.5A)
GOL  A 403 (-3.9A)
0.85A 4ws1A-5jx3A:
21.8
4ws1A-5jx3A:
24.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mjv CAPSID SUBUNIT VP0

(Parechovirus A)
PF00073
(Rhv)
4 GLY C 178
SER C 257
SER C 252
ASN C 176
None
1.03A 4ws1A-5mjvC:
undetectable
4ws1A-5mjvC:
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.
5nn7 URACIL-DNA
GLYCOSYLASE


(Human
gammaherpesvirus
8)
no annotation 4 GLY A  86
TYR A  90
PHE A 100
SER A 111
None
0.68A 4ws1A-5nn7A:
29.4
4ws1A-5nn7A:
23.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nn7 URACIL-DNA
GLYCOSYLASE


(Human
gammaherpesvirus
8)
no annotation 4 GLY A  86
TYR A  90
SER A 111
ASN A 146
None
0.56A 4ws1A-5nn7A:
29.4
4ws1A-5nn7A:
23.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nn7 URACIL-DNA
GLYCOSYLASE


(Human
gammaherpesvirus
8)
no annotation 4 TYR A  90
PHE A 100
SER A 111
HIS A 210
None
0.51A 4ws1A-5nn7A:
29.4
4ws1A-5nn7A:
23.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5suj UNCHARACTERIZED
PROTEIN


(Legionella
pneumophila)
no annotation 4 GLY A  84
GLN A  85
TYR A 267
SER A 245
None
1.02A 4ws1A-5sujA:
undetectable
4ws1A-5sujA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tnx ALCOHOL
DEHYDROGENASE
ZINC-BINDING DOMAIN
PROTEIN


(Burkholderia
ambifaria)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
4 GLY A 183
SER A 322
PHE A 327
ASN A 187
None
0.97A 4ws1A-5tnxA:
undetectable
4ws1A-5tnxA:
25.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x55 PROBABLE URACIL-DNA
GLYCOSYLASE


(Acanthamoeba
polyphaga
mimivirus)
PF03167
(UDG)
6 GLY A 189
GLN A 190
TYR A 193
SER A 208
PHE A 209
ASN A 255
None
0.85A 4ws1A-5x55A:
26.1
4ws1A-5x55A:
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.
5x55 PROBABLE URACIL-DNA
GLYCOSYLASE


(Acanthamoeba
polyphaga
mimivirus)
PF03167
(UDG)
7 GLY A 189
TYR A 193
SER A 208
PHE A 209
SER A 220
ASN A 255
HIS A 318
None
0.91A 4ws1A-5x55A:
26.1
4ws1A-5x55A:
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.
5xe0 GENOME POLYPROTEIN

(Enterovirus D)
PF00680
(RdRP_1)
4 GLY A 281
TYR A 263
SER A 267
SER A 286
None
1.03A 4ws1A-5xe0A:
undetectable
4ws1A-5xe0A:
19.66
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.
5yjj POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE


(Staphylococcus
epidermidis)
no annotation 4 GLY A 147
GLN A 146
SER A 135
SER A 141
None
0.98A 4ws1A-5yjjA:
undetectable
4ws1A-5yjjA:
17.24
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.
6bn2 ACETYL-COA
ACETYLTRANSFERASE


(Elizabethkingia
anophelis)
no annotation 4 GLY A 323
PHE A 177
SER A 181
ASN A 327
None
1.02A 4ws1A-6bn2A:
undetectable
4ws1A-6bn2A:
17.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fb3 TENEURIN-2

(Gallus gallus)
no annotation 4 GLY A1196
TYR A1107
SER A1109
SER A1065
None
1.03A 4ws1A-6fb3A:
undetectable
4ws1A-6fb3A:
15.35
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.
6fhw GLUCOAMYLASE P

(Amorphotheca
resinae)
no annotation 4 GLY A 241
GLN A 244
TYR A 198
SER A 193
None
0.98A 4ws1A-6fhwA:
undetectable
4ws1A-6fhwA:
17.23