SIMILAR PATTERNS OF AMINO ACIDS FOR 3OI8_A_ADNA2_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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bg6 N-(1-D-CARBOXYLETHYL
)-L-NORVALINE
DEHYDROGENASE


(Arthrobacter
sp. 1C)
PF02317
(Octopine_DH)
PF02558
(ApbA)
4 HIS A  17
PRO A  62
LEU A  65
ASP A  34
None
1.10A 3oi8A-1bg6A:
undetectable
3oi8A-1bg6A:
16.44
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.
1ded CYCLODEXTRIN
GLUCANOTRANSFERASE


(Bacillus sp.
1011)
PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C)
4 HIS A  98
PRO A 143
LEU A 197
ASP A 229
QPS  A1001 ( 2.9A)
None
QPS  A1001 (-3.7A)
QPS  A1001 (-2.7A)
1.26A 3oi8A-1dedA:
undetectable
3oi8A-1dedA:
11.28
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.
1e6z CHITINASE B

(Serratia
marcescens)
PF00704
(Glyco_hydro_18)
4 ILE A 183
PRO A 205
LEU A 206
ASP A 140
None
1.28A 3oi8A-1e6zA:
undetectable
3oi8A-1e6zA:
12.45
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.
1jmy BILE-SALT-ACTIVATED
LIPASE


(Homo sapiens)
PF00135
(COesterase)
4 ILE A 301
HIS A 522
PRO A 396
LEU A 224
None
1.29A 3oi8A-1jmyA:
undetectable
3oi8A-1jmyA:
15.71
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.
1k0g P-AMINOBENZOATE
SYNTHASE COMPONENT I


(Escherichia
coli)
PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N)
4 ILE A 144
ASN A  97
PRO A   6
LEU A 155
None
1.12A 3oi8A-1k0gA:
undetectable
3oi8A-1k0gA:
16.67
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.
1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE


(Bacillus
circulans)
PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C)
4 HIS A  98
PRO A 143
LEU A 197
ASP A 229
BGC  A1696 (-4.1A)
None
BGC  A1696 (-4.8A)
GLC  A1695 (-3.2A)
1.28A 3oi8A-1kclA:
undetectable
3oi8A-1kclA:
11.59
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.
1ow1 SMART/HDAC1
ASSOCIATED REPRESSOR
PROTEIN


(Homo sapiens)
PF07744
(SPOC)
4 ILE A3600
HIS A3656
PRO A3580
LEU A3595
None
0.97A 3oi8A-1ow1A:
undetectable
3oi8A-1ow1A:
21.29
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.
1spi FRUCTOSE
1,6-BISPHOSPHATASE


(Spinacia
oleracea)
PF00316
(FBPase)
4 ILE A 328
PRO A 333
LEU A 303
ASP A 323
None
1.26A 3oi8A-1spiA:
undetectable
3oi8A-1spiA:
18.68
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.
1unf IRON SUPEROXIDE
DISMUTASE


(Vigna
unguiculata)
PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C)
4 ILE X  73
ASN X  94
PRO X 190
LEU X 183
None
1.22A 3oi8A-1unfX:
undetectable
3oi8A-1unfX:
21.90
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.
1v02 DHURRINASE

(Sorghum bicolor)
PF00232
(Glyco_hydro_1)
4 ILE A 326
HIS A 236
PRO A 190
LEU A 258
None
1.03A 3oi8A-1v02A:
undetectable
3oi8A-1v02A:
14.59
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.
2ae0 MEMBRANE-BOUND LYTIC
MUREIN
TRANSGLYCOSYLASE A


(Escherichia
coli)
PF03562
(MltA)
PF06725
(3D)
4 ILE X 136
ASN X 184
PRO X 124
LEU X 141
None
1.12A 3oi8A-2ae0X:
undetectable
3oi8A-2ae0X:
17.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2efe SIMILARITY TO
VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN VPS9


(Arabidopsis
thaliana)
PF02204
(VPS9)
4 ILE A 159
ASN A 206
PRO A 200
LEU A 143
None
1.30A 3oi8A-2efeA:
undetectable
3oi8A-2efeA:
20.46
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.
2eyr NKT12

(Homo sapiens)
PF07654
(C1-set)
PF07686
(V-set)
4 ILE B  13
PRO B   8
LEU B  11
ASP B 224
None
1.26A 3oi8A-2eyrB:
undetectable
3oi8A-2eyrB:
17.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fpr HISTIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
HISB


(Escherichia
coli)
PF08645
(PNK3P)
4 ILE A  16
HIS A  74
LEU A  31
ASP A  12
None
1.18A 3oi8A-2fprA:
undetectable
3oi8A-2fprA:
22.78
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.
2g5d GNA33

(Neisseria
gonorrhoeae)
PF03562
(MltA)
PF06725
(3D)
4 ILE A 235
ASN A 283
PRO A 163
LEU A 240
None
1.16A 3oi8A-2g5dA:
undetectable
3oi8A-2g5dA:
17.42
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.
2gd2 PROBABLE
ALPHA-METHYLACYL-COA
RACEMASE MCR


(Mycobacterium
tuberculosis)
PF02515
(CoA_transf_3)
4 ILE A 131
PRO A 147
LEU A 137
ASP A 127
None
1.20A 3oi8A-2gd2A:
undetectable
3oi8A-2gd2A:
20.74
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.
2gdf LECTIN

(Dioclea
violacea)
PF00139
(Lectin_legB)
4 ILE A  32
HIS A  24
LEU A 230
ASP A  28
None
1.23A 3oi8A-2gdfA:
undetectable
3oi8A-2gdfA:
19.41
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.
2hx5 HYPOTHETICAL PROTEIN

(Prochlorococcus
marinus)
PF13279
(4HBT_2)
4 ILE A 136
HIS A 119
PRO A  91
LEU A 140
None
1.07A 3oi8A-2hx5A:
undetectable
3oi8A-2hx5A:
23.35
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.
2j3m PROLYL-TRNA
SYNTHETASE


(Enterococcus
faecalis)
PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF04073
(tRNA_edit)
4 ILE A   8
HIS A 474
PRO A 470
LEU A  45
None
0.88A 3oi8A-2j3mA:
undetectable
3oi8A-2j3mA:
15.28
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.
2jf7 STRICTOSIDINE-O-BETA
-D-GLUCOSIDASE


(Rauvolfia
serpentina)
PF00232
(Glyco_hydro_1)
4 ILE A 340
HIS A 249
PRO A 208
LEU A 272
None
0.99A 3oi8A-2jf7A:
undetectable
3oi8A-2jf7A:
14.84
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.
2qjp CYTOCHROME C1

(Rhodobacter
sphaeroides)
PF02167
(Cytochrom_C1)
4 ILE B 131
HIS B  40
PRO B 188
LEU B 135
HEM  B 301 ( 4.3A)
HEM  B 301 (-3.2A)
HEM  B 301 ( 4.8A)
HEM  B 301 ( 4.7A)
1.23A 3oi8A-2qjpB:
undetectable
3oi8A-2qjpB:
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.
2rt5 MSX2-INTERACTING
PROTEIN


(Homo sapiens)
PF07744
(SPOC)
4 ILE A3600
HIS A3656
PRO A3580
LEU A3595
None
1.11A 3oi8A-2rt5A:
undetectable
3oi8A-2rt5A:
22.70
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.
2waa XYLAN ESTERASE,
PUTATIVE, AXE2C


(Cellvibrio
japonicus)
PF13472
(Lipase_GDSL_2)
4 ASN A 262
HIS A 221
PRO A 226
LEU A 136
None
0.97A 3oi8A-2waaA:
undetectable
3oi8A-2waaA:
17.71
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.
2wnb -

(Sus scrofa)
PF00777
(Glyco_transf_29)
4 ILE A 120
HIS A 251
PRO A 211
LEU A 217
None
1.18A 3oi8A-2wnbA:
undetectable
3oi8A-2wnbA:
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.
2xnq NUCLEAR
POLYADENYLATED
RNA-BINDING PROTEIN
3


(Saccharomyces
cerevisiae)
PF00076
(RRM_1)
4 ILE A 334
ASN A 389
PRO A 338
LEU A 337
None
1.26A 3oi8A-2xnqA:
undetectable
3oi8A-2xnqA:
19.46
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.
2yrf METHYLTHIORIBOSE-1-P
HOSPHATE ISOMERASE


(Bacillus
subtilis)
PF01008
(IF-2B)
4 ILE A 159
ASN A 250
LEU A 257
ASP A 220
None
1.29A 3oi8A-2yrfA:
undetectable
3oi8A-2yrfA:
19.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zkt 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE


(Pyrococcus
horikoshii)
PF01676
(Metalloenzyme)
PF10143
(PhosphMutase)
4 ASN A 355
HIS A 309
PRO A 350
ASP A  13
None
ZN  A 415 (-3.5A)
None
ZN  A 414 (-2.2A)
0.91A 3oi8A-2zktA:
undetectable
3oi8A-2zktA:
18.07
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.
2zkt 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE


(Pyrococcus
horikoshii)
PF01676
(Metalloenzyme)
PF10143
(PhosphMutase)
4 ASN A 355
HIS A 309
PRO A 350
ASP A 346
None
ZN  A 415 (-3.5A)
None
ZN  A 414 (-2.8A)
1.07A 3oi8A-2zktA:
undetectable
3oi8A-2zktA:
18.07
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.
3bga BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron)
PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981)
4 ILE A 199
ASN A 181
LEU A 185
ASP A 198
None
1.17A 3oi8A-3bgaA:
undetectable
3oi8A-3bgaA:
10.89
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.
3clo TRANSCRIPTIONAL
REGULATOR


(Bacteroides
thetaiotaomicron)
PF00196
(GerE)
4 ASN A 152
PRO A 149
LEU A  22
ASP A  49
None
1.23A 3oi8A-3cloA:
undetectable
3oi8A-3cloA:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dec BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron)
PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981)
4 ILE A 175
ASN A 157
LEU A 161
ASP A 174
None
1.10A 3oi8A-3decA:
undetectable
3oi8A-3decA:
10.60
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.
3dqv CULLIN-5

(Homo sapiens)
PF00888
(Cullin)
PF10557
(Cullin_Nedd8)
4 ILE C1530
ASN C1565
HIS C1566
LEU C1571
None
1.02A 3oi8A-3dqvC:
undetectable
3oi8A-3dqvC:
20.65
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.
3dy5 ALLENE OXIDE
SYNTHASE-LIPOXYGENAS
E PROTEIN


(Plexaura
homomalla)
PF00305
(Lipoxygenase)
PF01477
(PLAT)
4 ASN A 947
HIS A 943
LEU A 758
ASP A 797
FE2  A1099 (-2.8A)
FE2  A1099 (-3.1A)
None
None
1.26A 3oi8A-3dy5A:
undetectable
3oi8A-3dy5A:
9.92
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.
3fg4 ALLENE OXIDE
SYNTHASE-LIPOXYGENAS
E PROTEIN


(Plexaura
homomalla)
PF00305
(Lipoxygenase)
PF01477
(PLAT)
4 ASN A 947
HIS A 943
LEU A 758
ASP A 797
FE2  A1500 (-3.7A)
FE2  A1500 (-3.2A)
None
ACD  A2001 ( 4.5A)
1.11A 3oi8A-3fg4A:
undetectable
3oi8A-3fg4A:
13.52
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.
3foa TAIL SHEATH PROTEIN
GP18


(Escherichia
virus T4)
PF04984
(Phage_sheath_1)
PF17481
(Phage_sheath_1N)
4 ASN A 425
PRO A 410
LEU A 383
ASP A 438
None
1.09A 3oi8A-3foaA:
undetectable
3oi8A-3foaA:
14.62
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.
3hmj FATTY ACID SYNTHASE
SUBUNIT ALPHA


(Saccharomyces
cerevisiae)
PF00109
(ketoacyl-synt)
PF01648
(ACPS)
PF02801
(Ketoacyl-synt_C)
4 ILE A1573
ASN A1570
HIS A 454
LEU A1625
None
1.13A 3oi8A-3hmjA:
undetectable
3oi8A-3hmjA:
6.43
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.
3ijd UNCHARACTERIZED
PROTEIN


(Ruminiclostridium
thermocellum)
PF02219
(MTHFR)
4 ILE A 260
ASN A 187
PRO A 236
LEU A 256
None
1.23A 3oi8A-3ijdA:
undetectable
3oi8A-3ijdA:
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.
3j2n TAIL SHEATH PROTEIN
GP18


(Escherichia
virus T4)
PF04984
(Phage_sheath_1)
PF17481
(Phage_sheath_1N)
PF17482
(Phage_sheath_1C)
4 ASN U 425
PRO U 410
LEU U 383
ASP U 438
None
1.09A 3oi8A-3j2nU:
undetectable
3oi8A-3j2nU:
12.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3jtf MAGNESIUM AND COBALT
EFFLUX PROTEIN


(Bordetella
parapertussis)
PF00571
(CBS)
4 HIS A 109
PRO A 113
LEU A 185
ASP A 190
AMP  A   1 (-3.5A)
AMP  A   1 (-4.7A)
None
AMP  A   1 (-2.6A)
0.57A 3oi8A-3jtfA:
18.8
3oi8A-3jtfA:
44.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lfr PUTATIVE METAL ION
TRANSPORTER


(Pseudomonas
syringae group
genomosp. 3)
PF00571
(CBS)
4 HIS A  94
PRO A  98
LEU A 173
ASP A 178
AMP  A   1 (-3.4A)
AMP  A   1 (-4.9A)
None
AMP  A   1 (-2.7A)
0.40A 3oi8A-3lfrA:
20.8
3oi8A-3lfrA:
42.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lhh CBS DOMAIN PROTEIN

(Shewanella
oneidensis)
PF00571
(CBS)
4 HIS A  73
PRO A  77
LEU A 150
ASP A 155
AMP  A 171 (-3.4A)
AMP  A 171 (-4.6A)
None
AMP  A 171 (-2.6A)
0.41A 3oi8A-3lhhA:
17.5
3oi8A-3lhhA:
30.46
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.
3mz2 GLYCEROPHOSPHORYL
DIESTER
PHOSPHODIESTERASE


(Parabacteroides
distasonis)
PF03009
(GDPD)
4 ILE A 143
ASN A  72
PRO A  70
LEU A 131
None
1.20A 3oi8A-3mz2A:
undetectable
3oi8A-3mz2A:
24.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3nqr MAGNESIUM AND COBALT
EFFLUX PROTEIN CORC


(Salmonella
enterica)
PF00571
(CBS)
5 ILE A  74
HIS A 100
PRO A 104
LEU A 178
ASP A 183
AMP  A   1 (-4.2A)
AMP  A   1 (-3.4A)
None
None
AMP  A   1 (-2.4A)
0.42A 3oi8A-3nqrA:
21.4
3oi8A-3nqrA:
52.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ocm PUTATIVE MEMBRANE
PROTEIN


(Bordetella
parapertussis)
PF00571
(CBS)
4 HIS A 365
PRO A 369
LEU A 441
ASP A 446
ADP  A 470 ( 3.3A)
None
ADP  A 470 (-4.8A)
ADP  A 470 (-2.8A)
0.75A 3oi8A-3ocmA:
6.1
3oi8A-3ocmA:
31.49
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.
3p27 ELONGATION FACTOR 1
ALPHA-LIKE PROTEIN


(Saccharomyces
cerevisiae)
PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
4 ILE A 556
HIS A 558
PRO A 521
LEU A 541
None
1.21A 3oi8A-3p27A:
undetectable
3oi8A-3p27A:
16.03
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.
3pb9 GLUTAMINYL-PEPTIDE
CYCLOTRANSFERASE-LIK
E PROTEIN


(Homo sapiens)
PF04389
(Peptidase_M28)
4 HIS X 351
PRO X 347
LEU X 270
ASP X 326
ZN  X 400 ( 3.2A)
None
1BN  X 390 ( 4.7A)
1BN  X 390 ( 4.2A)
1.10A 3oi8A-3pb9X:
undetectable
3oi8A-3pb9X:
17.26
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.
3ptk BETA-GLUCOSIDASE
OS4BGLU12


(Oryza sativa)
PF00232
(Glyco_hydro_1)
4 ILE A 317
HIS A 226
PRO A 180
LEU A 249
None
1.14A 3oi8A-3ptkA:
undetectable
3oi8A-3ptkA:
14.40
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.
3qfs NADPH--CYTOCHROME
P450 REDUCTASE


(Homo sapiens)
PF00175
(NAD_binding_1)
PF00667
(FAD_binding_1)
4 ASN A 489
HIS A 429
PRO A 383
ASP A 436
None
1.30A 3oi8A-3qfsA:
undetectable
3oi8A-3qfsA:
18.03
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.
3qk9 MITOCHONDRIAL IMPORT
INNER MEMBRANE
TRANSLOCASE SUBUNIT
TIM44


(Saccharomyces
cerevisiae)
PF04280
(Tim44)
4 ILE A 257
ASN A 259
PRO A 359
LEU A 357
None
1.27A 3oi8A-3qk9A:
undetectable
3oi8A-3qk9A:
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.
3s1v PROBABLE
TRANSALDOLASE


(Thermoplasma
acidophilum)
PF00923
(TAL_FSA)
4 ASN A 170
HIS A 173
PRO A 188
ASP A 138
GOL  A 224 (-3.7A)
GOL  A 224 (-4.1A)
None
None
1.27A 3oi8A-3s1vA:
undetectable
3oi8A-3s1vA:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tov GLYCOSYL TRANSFERASE
FAMILY 9


(Veillonella
parvula)
PF01075
(Glyco_transf_9)
4 ILE A 274
HIS A 135
PRO A  24
LEU A 157
None
1.07A 3oi8A-3tovA:
undetectable
3oi8A-3tovA:
21.05
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.
3wcs ERYTHROAGGLUTININ

(Phaseolus
vulgaris)
PF00139
(Lectin_legB)
4 ILE A 168
HIS A 160
LEU A 127
ASP A 164
None
MN  A1002 (-3.3A)
None
None
1.25A 3oi8A-3wcsA:
undetectable
3oi8A-3wcsA:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3whi SUBTILISIN E

(Bacillus
subtilis)
PF00082
(Peptidase_S8)
PF05922
(Inhibitor_I9)
4 ILE A 198
PRO A 258
LEU A 225
ASP A  71
None
1.26A 3oi8A-3whiA:
undetectable
3oi8A-3whiA:
16.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4aj9 CATALASE-3

(Neurospora
crassa)
PF00199
(Catalase)
PF06628
(Catalase-rel)
4 ILE A 566
PRO A 663
LEU A 702
ASP A 595
None
1.26A 3oi8A-4aj9A:
undetectable
3oi8A-4aj9A:
12.48
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.
4aov ISOCITRATE
DEHYDROGENASE [NADP]


(Desulfotalea
psychrophila)
PF00180
(Iso_dh)
4 ILE A 387
PRO A  23
LEU A  24
ASP A 391
None
1.19A 3oi8A-4aovA:
undetectable
3oi8A-4aovA:
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.
4dia 2-PYRONE-4,6-DICARBA
XYLATE HYDROLASE


(Sphingomonas
paucimobilis)
PF04909
(Amidohydro_2)
4 HIS A 251
PRO A  16
LEU A  62
ASP A  29
None
1.18A 3oi8A-4diaA:
undetectable
3oi8A-4diaA:
20.34
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.
4dvh SUPEROXIDE DISMUTASE

(Trypanosoma
cruzi)
PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C)
4 ILE A  57
ASN A  78
PRO A 158
LEU A 152
None
1.28A 3oi8A-4dvhA:
undetectable
3oi8A-4dvhA:
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.
4f92 U5 SMALL NUCLEAR
RIBONUCLEOPROTEIN
200 KDA HELICASE


(Homo sapiens)
PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63)
4 ASN B1463
PRO B1381
LEU B1458
ASP B1683
None
1.11A 3oi8A-4f92B:
undetectable
3oi8A-4f92B:
7.47
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.
4f9u CG32412

(Drosophila
melanogaster)
PF04389
(Peptidase_M28)
4 HIS A 297
PRO A 293
LEU A 219
ASP A 272
ZN  A 401 ( 3.1A)
None
None
PBD  A 402 ( 4.3A)
1.16A 3oi8A-4f9uA:
undetectable
3oi8A-4f9uA:
21.83
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.
4fai CG5976, ISOFORM B

(Drosophila
melanogaster)
PF04389
(Peptidase_M28)
4 HIS A 318
PRO A 314
LEU A 229
ASP A 293
ZN  A 401 ( 3.2A)
None
PBD  A 402 (-4.8A)
PBD  A 402 ( 4.1A)
1.13A 3oi8A-4faiA:
undetectable
3oi8A-4faiA:
20.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gic HISTIDINOL
DEHYDROGENASE


(Methylococcus
capsulatus)
PF00815
(Histidinol_dh)
4 ILE A 348
ASN A 350
PRO A 331
LEU A 334
None
1.06A 3oi8A-4gicA:
undetectable
3oi8A-4gicA:
19.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hg0 MAGNESIUM AND COBALT
EFFLUX PROTEIN CORC


(Escherichia
coli)
PF00571
(CBS)
PF03471
(CorC_HlyC)
5 ILE A  74
HIS A 100
PRO A 104
LEU A 178
ASP A 183
AMP  A 301 (-4.5A)
AMP  A 301 (-3.3A)
AMP  A 301 (-4.7A)
None
AMP  A 301 (-3.3A)
0.54A 3oi8A-4hg0A:
18.4
3oi8A-4hg0A:
47.25
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.
4hu8 GH10 XYLANASE

(Globitermes
brachycerastes)
PF00331
(Glyco_hydro_10)
PF02368
(Big_2)
4 ILE A 252
HIS A 206
LEU A 249
ASP A 300
None
1.22A 3oi8A-4hu8A:
undetectable
3oi8A-4hu8A:
15.28
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.
4jge RED FLUORESCENT
PROTEIN BLFP-R5


(Branchiostoma
lanceolatum)
PF01353
(GFP)
4 ILE A  11
ASN A  56
HIS A 103
LEU A   9
None
1.21A 3oi8A-4jgeA:
undetectable
3oi8A-4jgeA:
19.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mh1 SORBOSE
DEHYDROGENASE


(Ketogulonicigenium
vulgare)
PF13360
(PQQ_2)
4 ILE A 354
HIS A 272
PRO A 276
ASP A 355
None
1.25A 3oi8A-4mh1A:
undetectable
3oi8A-4mh1A:
14.52
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.
4mhp GLUTAMINYL CYCLASE,
PUTATIVE


(Ixodes
scapularis)
PF04389
(Peptidase_M28)
4 HIS A 322
PRO A 318
LEU A 239
ASP A 297
None
1.22A 3oi8A-4mhpA:
undetectable
3oi8A-4mhpA:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q5w MATERNAL PROTEIN
TUDOR


(Drosophila
melanogaster)
PF00567
(TUDOR)
4 ILE A2008
PRO A2074
LEU A2012
ASP A2060
None
1.24A 3oi8A-4q5wA:
undetectable
3oi8A-4q5wA:
23.83
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.
4uuy VACUOLAR MEMBRANE
PROTEIN PEP3


(Saccharomyces
cerevisiae)
PF05131
(Pep3_Vps18)
4 ILE A 164
ASN A 143
PRO A 184
LEU A 169
None
1.19A 3oi8A-4uuyA:
undetectable
3oi8A-4uuyA:
23.81
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.
4xdy KETOL-ACID
REDUCTOISOMERASE


(uncultured
archaeon
GZfos26G2)
PF01450
(IlvC)
PF07991
(IlvN)
4 ILE A  83
ASN A 115
PRO A 123
LEU A 108
None
1.17A 3oi8A-4xdyA:
undetectable
3oi8A-4xdyA:
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.
4xhj ENVELOPE
GLYCOPROTEIN H


(Human
alphaherpesvirus
3)
PF02489
(Herpes_glycop_H)
PF17488
(Herpes_glycoH_C)
4 ILE A 274
HIS A 223
PRO A 128
LEU A 282
None
1.22A 3oi8A-4xhjA:
undetectable
3oi8A-4xhjA:
11.52
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.
4xz8 NUCLEOPROTEIN

(Thiafora
orthonairovirus)
PF02477
(Nairo_nucleo)
4 ILE A 296
ASN A 220
PRO A 122
LEU A 127
None
1.11A 3oi8A-4xz8A:
undetectable
3oi8A-4xz8A:
16.00
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.
4yet SUPEROXIDE DISMUTASE

(Babesia bovis)
PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C)
4 ILE A  57
ASN A  73
PRO A 153
LEU A 146
None
1.26A 3oi8A-4yetA:
undetectable
3oi8A-4yetA:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yfh DNA-BINDING PROTEIN
HU-ALPHA


(Escherichia
coli)
PF00216
(Bac_DNA_binding)
4 ASN A  75
HIS A  54
PRO A  77
ASP A  40
None
1.19A 3oi8A-4yfhA:
undetectable
3oi8A-4yfhA:
21.25
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.
4ypj BETA GALACTOSIDASE

(Bacillus
circulans)
PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982)
4 ILE A 160
ASN A 142
LEU A 146
ASP A 159
None
1.26A 3oi8A-4ypjA:
undetectable
3oi8A-4ypjA:
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.
4yu9 GLUTAMINYL-PEPTIDE
CYCLOTRANSFERASE


(Homo sapiens)
PF04389
(Peptidase_M28)
4 HIS A 330
PRO A 326
LEU A 249
ASP A 305
ZN  A 401 (-3.2A)
None
None
None
1.19A 3oi8A-4yu9A:
undetectable
3oi8A-4yu9A:
19.76
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.
4yu9 GLUTAMINYL-PEPTIDE
CYCLOTRANSFERASE


(Homo sapiens)
PF04389
(Peptidase_M28)
4 ILE A 350
HIS A 287
PRO A 255
LEU A 347
None
1.14A 3oi8A-4yu9A:
undetectable
3oi8A-4yu9A:
19.76
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.
4z3o DNA TOPOISOMERASE 4
SUBUNIT
B,PARE30-PARC55
FUSED TOPO IV FROM
S. PNEUMONIAE


(Streptococcus
pneumoniae)
PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim)
4 ILE A1219
HIS A1181
PRO A1209
LEU A1482
None
1.26A 3oi8A-4z3oA:
undetectable
3oi8A-4z3oA:
12.40
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.
4zke SUPERKILLER PROTEIN
7


(Saccharomyces
cerevisiae)
PF00009
(GTP_EFTU)
4 ILE A 655
ASN A 727
HIS A 678
LEU A 657
ILE  A 655 ( 0.7A)
ASN  A 727 ( 0.6A)
HIS  A 678 ( 1.0A)
LEU  A 657 ( 0.6A)
0.97A 3oi8A-4zkeA:
undetectable
3oi8A-4zkeA:
15.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bsw 4-COUMARATE--COA
LIGASE 2


(Nicotiana
tabacum)
PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
4 ILE A 255
ASN A  86
PRO A  88
LEU A  44
None
1.03A 3oi8A-5bswA:
undetectable
3oi8A-5bswA:
16.40
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.
5bza BETA-N-ACETYLHEXOSAM
INIDASE


(Thermotoga
neapolitana)
PF00933
(Glyco_hydro_3)
4 ILE A 400
PRO A 392
LEU A 420
ASP A 396
None
1.18A 3oi8A-5bzaA:
undetectable
3oi8A-5bzaA:
18.00
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.
5cr9 ABC-TYPE
FE3+-HYDROXAMATE
TRANSPORT SYSTEM,
PERIPLASMIC
COMPONENT


(Saccharomonospora
viridis)
PF01497
(Peripla_BP_2)
4 ILE A  45
ASN A 150
PRO A  58
LEU A 180
None
1.16A 3oi8A-5cr9A:
undetectable
3oi8A-5cr9A:
21.15
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.
5eft P9-1

(Southern rice
black-streaked
dwarf virus)
PF06043
(Reo_P9)
4 ILE B  14
HIS B 206
LEU B  48
ASP B 215
None
1.00A 3oi8A-5eftB:
undetectable
3oi8A-5eftB:
20.46
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.
5g06 EXOSOME COMPLEX
COMPONENT CSL4


(Saccharomyces
cerevisiae)
PF10447
(EXOSC1)
4 ILE I 221
ASN I 261
PRO I 226
LEU I 146
None
1.23A 3oi8A-5g06I:
undetectable
3oi8A-5g06I:
19.52
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.
5h1z PUTATIVE CYP ALKANE
HYDROXYLASE
CYP153D17


(Sphingomonas
sp. PAMC 26605)
PF00067
(p450)
4 ASN A 136
PRO A 138
LEU A 383
ASP A 262
None
1.07A 3oi8A-5h1zA:
undetectable
3oi8A-5h1zA:
18.96
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.
5k24 METAL TRANSPORTER
CNNM3


(Mus musculus)
PF00571
(CBS)
4 HIS C 352
PRO C 356
LEU C 440
ASP C 445
None
0.93A 3oi8A-5k24C:
10.0
3oi8A-5k24C:
29.78
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.
5n57 SUPEROXIDE DISMUTASE

(Staphylococcus
aureus)
no annotation 4 ILE A  57
ASN A  80
PRO A 156
LEU A 150
None
1.24A 3oi8A-5n57A:
undetectable
3oi8A-5n57A:
20.39
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.
5o3m PROTOCATECHUATE
DECARBOXYLASE


(Klebsiella
pneumoniae)
PF01977
(UbiD)
4 ILE A 206
HIS A 170
PRO A 302
LEU A 269
None
1.30A 3oi8A-5o3mA:
undetectable
3oi8A-5o3mA:
14.48
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.
5oc1 ARYL-ALCOHOL OXIDASE

(Pleurotus
eryngii)
no annotation 4 ILE A 500
PRO A 399
LEU A 315
ASP A 312
ANN  A 601 (-4.4A)
GOL  A 607 ( 4.3A)
None
None
1.18A 3oi8A-5oc1A:
undetectable
3oi8A-5oc1A:
15.31
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.
5swi SUGAR HYDROLASE

(Streptococcus
pneumoniae)
no annotation 4 ASN B  36
HIS B  65
LEU B  77
ASP B 150
None
1.28A 3oi8A-5swiB:
undetectable
3oi8A-5swiB:
12.80
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.
5swi SUGAR HYDROLASE

(Streptococcus
pneumoniae)
no annotation 4 ILE B 362
ASN B 304
PRO B 343
LEU B 359
None
1.29A 3oi8A-5swiB:
undetectable
3oi8A-5swiB:
12.80
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.
5ucy TUBULIN ALPHA CHAIN

(Tetrahymena
thermophila)
PF00091
(Tubulin)
PF03953
(Tubulin_C)
4 ILE A 188
ASN A 186
PRO A 173
LEU A 391
None
1.16A 3oi8A-5ucyA:
undetectable
3oi8A-5ucyA:
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.
5vem ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 5


(Homo sapiens)
PF01663
(Phosphodiest)
4 ASN A 338
HIS A 195
PRO A 199
ASP A  36
None
ZN  A 502 (-3.2A)
None
ZN  A 501 (-2.0A)
1.05A 3oi8A-5vemA:
undetectable
3oi8A-5vemA:
16.20
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.
5veo ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 5


(Mus musculus)
PF01663
(Phosphodiest)
4 ASN A 338
HIS A 195
PRO A 199
ASP A  36
None
ZN  A 501 ( 3.2A)
None
ZN  A 502 ( 2.1A)
1.03A 3oi8A-5veoA:
undetectable
3oi8A-5veoA:
17.11
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.
5veo ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 5


(Mus musculus)
PF01663
(Phosphodiest)
4 ASN A 338
HIS A 195
PRO A 199
ASP A 238
None
ZN  A 501 ( 3.2A)
None
ZN  A 502 ( 2.2A)
1.21A 3oi8A-5veoA:
undetectable
3oi8A-5veoA:
17.11
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.
5w1u CARBOXYLIC ESTER
HYDROLASE


(Culex
quinquefasciatus)
PF00135
(COesterase)
4 ILE A 332
ASN A 382
PRO A 377
LEU A 339
None
1.25A 3oi8A-5w1uA:
undetectable
3oi8A-5w1uA:
13.52
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.
5xbl CRISPR-ASSOCIATED
ENDONUCLEASE
CAS9/CSN1


(Streptococcus
pyogenes)
PF13395
(HNH_4)
PF16592
(Cas9_REC)
PF16593
(Cas9-BH)
PF16595
(Cas9_PI)
4 ILE A 305
HIS A 415
PRO A 316
LEU A 306
None
1.25A 3oi8A-5xblA:
undetectable
3oi8A-5xblA:
8.52
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.
5xtb NADH-UBIQUINONE
OXIDOREDUCTASE 75
KDA SUBUNIT,
MITOCHONDRIAL


(Homo sapiens)
PF00384
(Molybdopterin)
PF09326
(NADH_dhqG_C)
PF10588
(NADH-G_4Fe-4S_3)
PF13510
(Fer2_4)
4 ILE M 515
ASN M 384
PRO M 373
LEU M 481
None
1.08A 3oi8A-5xtbM:
undetectable
3oi8A-5xtbM:
12.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5yz2 MAGNESIUM AND COBALT
EFFLUX PROTEIN CORC


(Escherichia
coli)
no annotation 5 ILE A  74
HIS A 100
PRO A 104
LEU A 178
ASP A 183
AMP  A 301 ( 4.2A)
AMP  A 301 (-3.4A)
AMP  A 301 ( 4.6A)
None
AMP  A 301 (-1.9A)
0.43A 3oi8A-5yz2A:
20.8
3oi8A-5yz2A:
31.82
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.
6c01 ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 3


(Homo sapiens)
no annotation 4 ASN A 482
HIS A 329
PRO A 333
ASP A 167
None
ZN  A 901 ( 3.3A)
None
ZN  A 902 (-2.0A)
1.10A 3oi8A-6c01A:
undetectable
3oi8A-6c01A:
17.20