SIMILAR PATTERNS OF AMINO ACIDS FOR 4DUB_A_LDPA501

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.
1a0j TRYPSIN

(Salmo salar)
PF00089
(Trypsin)
4 PHE A 181
ALA A 183
PRO A 198
VAL A 138
None
0.99A 4dubA-1a0jA:
undetectable
4dubA-1a0jA:
17.06
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.
1fts FTSY

(Escherichia
coli)
PF00448
(SRP54)
PF02881
(SRP54_N)
4 PHE A 214
GLY A 455
LEU A 235
VAL A 240
None
1.06A 4dubA-1ftsA:
0.1
4dubA-1ftsA:
22.51
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.
1hky MICRONEME PROTEIN 5
PRECURSOR


(Eimeria tenella)
PF00024
(PAN_1)
4 ALA A  32
GLY A  73
LEU A  52
VAL A  75
None
1.03A 4dubA-1hkyA:
0.0
4dubA-1hkyA:
10.59
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.
1ikp EXOTOXIN A

(Pseudomonas
aeruginosa)
PF09009
(Exotox-A_cataly)
PF09101
(Exotox-A_bind)
PF09102
(Exotox-A_target)
4 PHE A 409
ALA A 447
GLY A 397
VAL A 566
None
0.79A 4dubA-1ikpA:
2.0
4dubA-1ikpA:
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.
1kwg BETA-GALACTOSIDASE

(Thermus
thermophilus)
PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C)
4 PHE A 608
ALA A 341
GLY A 604
LEU A 392
None
0.87A 4dubA-1kwgA:
0.0
4dubA-1kwgA:
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.
1kyh HYPOTHETICAL 29.9
KDA PROTEIN IN
SIGY-CYDD INTERGENIC
REGION


(Bacillus
subtilis)
PF01256
(Carb_kinase)
4 ALA A 114
GLY A 102
PRO A 103
LEU A  33
None
1.06A 4dubA-1kyhA:
0.0
4dubA-1kyhA:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mbq TRYPSIN

(Oncorhynchus
keta)
PF00089
(Trypsin)
4 PHE A 181
ALA A 183
PRO A 198
VAL A 138
None
0.93A 4dubA-1mbqA:
0.0
4dubA-1mbqA:
17.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mzj BETA-KETOACYLSYNTHAS
E III


(Streptomyces
sp. R1128)
PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III)
4 PHE A 318
ALA A 229
LEU A 267
VAL A 266
None
0.88A 4dubA-1mzjA:
0.0
4dubA-1mzjA:
21.68
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.
1nyl GLUTAMINYL-TRNA
SYNTHETASE


(Escherichia
coli)
PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C)
4 PHE A 518
ALA A 344
PRO A 536
LEU A 507
None
0.96A 4dubA-1nylA:
undetectable
4dubA-1nylA:
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.
1p9b ADENYLOSUCCINATE
SYNTHETASE


(Plasmodium
falciparum)
PF00709
(Adenylsucc_synt)
4 ALA A 412
PRO A 321
LEU A 351
VAL A 353
None
1.06A 4dubA-1p9bA:
undetectable
4dubA-1p9bA:
22.37
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.
1rrm LACTALDEHYDE
REDUCTASE


(Escherichia
coli)
PF00465
(Fe-ADH)
4 ALA A 280
GLY A 264
LEU A 284
VAL A 262
None
0.94A 4dubA-1rrmA:
undetectable
4dubA-1rrmA:
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.
1sg3 ALLANTOICASE

(Saccharomyces
cerevisiae)
PF03561
(Allantoicase)
4 ALA A 207
GLY A 204
LEU A 222
VAL A 201
None
1.06A 4dubA-1sg3A:
undetectable
4dubA-1sg3A:
22.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1to3 PUTATIVE ALDOLASE
YIHT


(Salmonella
enterica)
PF01791
(DeoC)
4 PHE A  48
ALA A  52
GLY A 252
VAL A 255
None
None
PO4  A 305 (-3.5A)
None
0.92A 4dubA-1to3A:
undetectable
4dubA-1to3A:
23.38
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.
1wta 5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE


(Aeropyrum
pernix)
PF01048
(PNP_UDP_1)
4 ALA A  82
GLY A  15
LEU A  86
VAL A  88
None
0.93A 4dubA-1wtaA:
undetectable
4dubA-1wtaA:
19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zvn CADHERIN 1

(Gallus gallus)
PF00028
(Cadherin)
4 PHE A  92
ALA A  75
GLY A  55
LEU A  39
None
0.91A 4dubA-1zvnA:
undetectable
4dubA-1zvnA:
11.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2btv PROTEIN (VP3 CORE
PROTEIN)


(Bluetongue
virus)
PF01700
(Orbi_VP3)
4 ALA A 564
GLY A 351
PRO A 350
LEU A 544
None
1.07A 4dubA-2btvA:
undetectable
4dubA-2btvA:
21.06
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.
2cfc 2-(R)-HYDROXYPROPYL-
COM DEHYDROGENASE


(Xanthobacter
autotrophicus)
PF13561
(adh_short_C2)
4 ALA A  62
GLY A  65
LEU A 120
VAL A  67
NAD  A1251 ( 4.9A)
None
None
None
1.01A 4dubA-2cfcA:
undetectable
4dubA-2cfcA:
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.
2cy8 D-PHENYLGLYCINE
AMINOTRANSFERASE


(Pseudomonas
stutzeri)
PF00202
(Aminotran_3)
4 PHE A 361
ALA A 337
LEU A 424
VAL A 425
None
0.94A 4dubA-2cy8A:
undetectable
4dubA-2cy8A:
24.49
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.
2eek TRYPSIN-1

(Gadus morhua)
PF00089
(Trypsin)
4 PHE A 181
ALA A 183
PRO A 198
VAL A 138
None
0.91A 4dubA-2eekA:
undetectable
4dubA-2eekA:
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.
2fmd LECTIN

(Leucomphalos
mildbraedii)
PF00139
(Lectin_legB)
4 PHE A  20
ALA A  24
GLY A  27
LEU A  32
None
0.94A 4dubA-2fmdA:
undetectable
4dubA-2fmdA:
18.34
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.
2fnu AMINOTRANSFERASE

(Helicobacter
pylori)
PF01041
(DegT_DnrJ_EryC1)
4 PHE A 177
GLY A 170
LEU A  45
VAL A  47
None
0.99A 4dubA-2fnuA:
undetectable
4dubA-2fnuA:
23.03
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.
2hcz BETA-EXPANSIN 1A

(Zea mays)
PF01357
(Pollen_allerg_1)
PF03330
(DPBB_1)
4 PHE X 135
ALA X  22
GLY X   8
PRO X   9
None
0.87A 4dubA-2hczX:
undetectable
4dubA-2hczX:
18.99
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.
2p2s PUTATIVE
OXIDOREDUCTASE


(Pectobacterium
atrosepticum)
PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C)
4 PHE A 119
ALA A  82
PRO A  97
LEU A  99
None
1.02A 4dubA-2p2sA:
undetectable
4dubA-2p2sA:
23.52
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.
2r7d RIBONUCLEASE II
FAMILY PROTEIN


(Deinococcus
radiodurans)
PF00773
(RNB)
4 ALA A 409
GLY A 439
PRO A 438
VAL A 412
None
1.02A 4dubA-2r7dA:
undetectable
4dubA-2r7dA:
25.33
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.
2v5y RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE MU


(Homo sapiens)
PF00041
(fn3)
PF00047
(ig)
PF00629
(MAM)
4 PHE A  26
ALA A  62
GLY A  92
PRO A  91
None
0.92A 4dubA-2v5yA:
undetectable
4dubA-2v5yA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vrc TRIPHENYLMETHANE
REDUCTASE


(Citrobacter sp.
MY-5)
PF05368
(NmrA)
4 ALA A 183
GLY A  13
LEU A  71
VAL A   5
None
0.92A 4dubA-2vrcA:
undetectable
4dubA-2vrcA:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wsc PHOTOSYSTEM I
REACTION CENTER
SUBUNIT XI,
CHLOROPLASTIC


(Spinacia
oleracea)
PF02605
(PsaL)
4 ALA L  83
GLY L  72
PRO L  73
LEU L  86
None
None
CLA  H1079 ( 4.0A)
None
0.74A 4dubA-2wscL:
undetectable
4dubA-2wscL:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xn8 PUTATIVE CYTOCHROME
P450 125


(Mycobacterium
tuberculosis)
PF00067
(p450)
4 PHE A 258
ALA A 224
LEU A 183
VAL A 185
None
1.00A 4dubA-2xn8A:
29.2
4dubA-2xn8A:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yxx DIAMINOPIMELATE
DECARBOXYLASE


(Thermotoga
maritima)
PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N)
4 GLY A 311
PRO A 312
LEU A 260
VAL A 276
None
0.64A 4dubA-2yxxA:
undetectable
4dubA-2yxxA:
23.08
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.
3ai7 XYLULOSE-5-PHOSPHATE
/FRUCTOSE-6-PHOSPHAT
E PHOSPHOKETOLASE


(Bifidobacterium
longum)
PF03894
(XFP)
PF09363
(XFP_C)
PF09364
(XFP_N)
4 ALA A 164
GLY A  94
PRO A  95
VAL A 180
None
None
TPP  A 900 ( 4.6A)
None
0.95A 4dubA-3ai7A:
undetectable
4dubA-3ai7A:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aje PUTATIVE
UNCHARACTERIZED
PROTEIN ST1526


(Sulfurisphaera
tokodaii)
PF01300
(Sua5_yciO_yrdC)
PF03481
(SUA5)
4 PHE A 100
ALA A  90
GLY A  96
PRO A  97
None
1.04A 4dubA-3ajeA:
undetectable
4dubA-3ajeA:
21.52
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.
3apm PROTEIN-ARGININE
DEIMINASE TYPE-4


(Homo sapiens)
PF03068
(PAD)
PF08526
(PAD_N)
PF08527
(PAD_M)
4 PHE A 214
GLY A 230
PRO A 231
VAL A 211
None
0.77A 4dubA-3apmA:
undetectable
4dubA-3apmA:
21.40
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.
3aqs BACTERIAL REGULATORY
PROTEINS, TETR
FAMILY


(Corynebacterium
glutamicum)
PF00440
(TetR_N)
4 PHE A 128
ALA A 134
GLY A 173
LEU A 138
None
0.88A 4dubA-3aqsA:
undetectable
4dubA-3aqsA:
18.41
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.
3brz TODX

(Pseudomonas
putida)
PF03349
(Toluene_X)
4 PHE A 100
ALA A  28
GLY A  96
VAL A  87
None
1.03A 4dubA-3brzA:
undetectable
4dubA-3brzA:
23.61
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.
3cdi POLYNUCLEOTIDE
PHOSPHORYLASE


(Escherichia
coli)
PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF03726
(PNPase)
4 ALA A 159
GLY A 250
LEU A 245
VAL A 246
None
0.97A 4dubA-3cdiA:
3.8
4dubA-3cdiA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dkq PKHD-TYPE
HYDROXYLASE
SBAL_3634


(Shewanella
baltica)
PF13640
(2OG-FeII_Oxy_3)
4 PHE A 118
GLY A 128
LEU A 130
VAL A 159
None
None
IMD  A 502 (-4.8A)
IMD  A 502 (-4.9A)
1.07A 4dubA-3dkqA:
undetectable
4dubA-3dkqA:
19.62
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.
3eeq PUTATIVE COBALAMIN
BIOSYNTHESIS PROTEIN
G HOMOLOG


(Sulfolobus
solfataricus)
PF01890
(CbiG_C)
PF11760
(CbiG_N)
4 PHE A 266
GLY A 234
LEU A 239
VAL A 238
None
0.82A 4dubA-3eeqA:
undetectable
4dubA-3eeqA:
22.41
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.
3euc HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE 2


(Cupriavidus
pinatubonensis)
PF00155
(Aminotran_1_2)
4 PHE A 173
GLY A 117
LEU A 137
VAL A 115
None
1.02A 4dubA-3eucA:
undetectable
4dubA-3eucA:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gbp GALACTOSE-BINDING
PROTEIN


(Salmonella
enterica)
PF13407
(Peripla_BP_4)
4 PHE A  16
ALA A 258
GLY A 109
VAL A 293
BGC  A 308 (-3.6A)
None
None
None
0.83A 4dubA-3gbpA:
undetectable
4dubA-3gbpA:
24.02
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.
3hri HISTIDYL-TRNA
SYNTHETASE


(Trypanosoma
brucei)
PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His)
4 PHE A 425
ALA A 436
GLY A 468
LEU A 438
None
0.94A 4dubA-3hriA:
undetectable
4dubA-3hriA:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hs0 COBRA VENOM FACTOR

(Naja kaouthia)
PF00207
(A2M)
PF01759
(NTR)
PF07677
(A2M_recep)
4 PHE C1428
ALA B 837
GLY C1472
LEU C1459
None
0.88A 4dubA-3hs0C:
undetectable
4dubA-3hs0C:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3htu VACUOLAR
PROTEIN-SORTING-ASSO
CIATED PROTEIN 25


(Homo sapiens)
PF05871
(ESCRT-II)
4 PHE A 175
ALA A 162
GLY A 108
LEU A 153
None
0.84A 4dubA-3htuA:
undetectable
4dubA-3htuA:
10.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i0w 8-OXOGUANINE-DNA-GLY
COSYLASE


(Clostridium
acetobutylicum)
PF00730
(HhH-GPD)
PF07934
(OGG_N)
4 PHE A 270
ALA A 277
LEU A 281
VAL A 244
None
1.07A 4dubA-3i0wA:
undetectable
4dubA-3i0wA:
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.
3m4x NOL1/NOP2/SUN FAMILY
PROTEIN


(Enterococcus
faecium)
PF01189
(Methyltr_RsmB-F)
PF13636
(Methyltranf_PUA)
PF17125
(Methyltr_RsmF_N)
PF17126
(RsmF_methylt_CI)
4 PHE A 417
GLY A 438
LEU A 401
VAL A 426
None
0.92A 4dubA-3m4xA:
undetectable
4dubA-3m4xA:
23.99
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.
3mzb NICKEL-BINDING
PERIPLASMIC PROTEIN


(Escherichia
coli)
PF00496
(SBP_bac_5)
4 PHE A  88
PRO A  36
LEU A 133
VAL A  38
None
1.07A 4dubA-3mzbA:
undetectable
4dubA-3mzbA:
23.91
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.
3n0r RESPONSE REGULATOR

(Caulobacter
vibrioides)
PF00072
(Response_reg)
4 ALA A 140
GLY A 187
PRO A 186
VAL A 143
None
0.98A 4dubA-3n0rA:
undetectable
4dubA-3n0rA:
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.
3o98 BIFUNCTIONAL
GLUTATHIONYLSPERMIDI
NE
SYNTHETASE/AMIDASE


(Escherichia
coli)
PF03738
(GSP_synth)
PF05257
(CHAP)
4 ALA A 443
GLY A 496
PRO A 495
VAL A 493
None
1.00A 4dubA-3o98A:
undetectable
4dubA-3o98A:
22.90
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.
3q3w 3-ISOPROPYLMALATE
DEHYDRATASE SMALL
SUBUNIT


(Campylobacter
jejuni)
PF00694
(Aconitase_C)
4 PHE A 109
ALA A  88
LEU A  92
VAL A  93
None
1.06A 4dubA-3q3wA:
undetectable
4dubA-3q3wA:
21.07
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.
3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3


(Homo sapiens)
PF00069
(Pkinase)
4 PHE A 188
GLY A  94
PRO A  95
LEU A 157
None
0.71A 4dubA-3sheA:
undetectable
4dubA-3sheA:
22.96
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.
3u44 ATP-DEPENDENT
HELICASE/NUCLEASE
SUBUNIT A


(Bacillus
subtilis)
PF00580
(UvrD-helicase)
PF12705
(PDDEXK_1)
PF13361
(UvrD_C)
4 PHE A 949
GLY A 921
PRO A 922
LEU A 491
None
1.02A 4dubA-3u44A:
undetectable
4dubA-3u44A:
17.81
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.
3up4 OTEMO

(Pseudomonas
putida)
PF00743
(FMO-like)
4 PHE A  68
ALA A  96
GLY A  45
VAL A  44
None
0.91A 4dubA-3up4A:
undetectable
4dubA-3up4A:
22.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3us8 ISOCITRATE
DEHYDROGENASE [NADP]


(Sinorhizobium
meliloti)
PF00180
(Iso_dh)
4 PHE A 225
ALA A 191
GLY A 131
VAL A 106
None
0.97A 4dubA-3us8A:
undetectable
4dubA-3us8A:
23.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v4y SERINE/THREONINE-PRO
TEIN PHOSPHATASE
PP1-ALPHA CATALYTIC
SUBUNIT


(Homo sapiens)
PF00149
(Metallophos)
PF16891
(STPPase_N)
4 PHE A 170
ALA A 162
GLY A 174
LEU A 204
None
1.06A 4dubA-3v4yA:
undetectable
4dubA-3v4yA:
22.22
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.
4bq4 B-AGARASE

(Saccharophagus
degradans)
PF02449
(Glyco_hydro_42)
4 PHE A 475
GLY A 738
LEU A 316
VAL A 737
None
1.00A 4dubA-4bq4A:
undetectable
4dubA-4bq4A:
21.92
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.
4dpk MALONYL-COA/SUCCINYL
-COA REDUCTASE


(Sulfurisphaera
tokodaii)
PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC)
4 PHE A 272
ALA A 164
LEU A 126
VAL A 221
None
0.88A 4dubA-4dpkA:
undetectable
4dubA-4dpkA:
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.
4dqv PROBABLE PEPTIDE
SYNTHETASE NRP
(PEPTIDE SYNTHASE)


(Mycobacterium
tuberculosis)
PF07993
(NAD_binding_4)
4 PHE A 166
GLY A 235
LEU A  28
VAL A 237
None
0.94A 4dubA-4dqvA:
undetectable
4dubA-4dqvA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e4r PHOSPHATE
ACETYLTRANSFERASE


(Staphylococcus
aureus)
PF01515
(PTA_PTB)
4 ALA A  32
GLY A  24
LEU A  21
VAL A  46
None
0.91A 4dubA-4e4rA:
undetectable
4dubA-4e4rA:
21.00
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.
4eud SUCCINYL-COA:ACETATE
COENZYME A
TRANSFERASE


(Acetobacter
aceti)
PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C)
4 PHE A  35
ALA A  70
GLY A 115
VAL A 117
None
1.03A 4dubA-4eudA:
undetectable
4dubA-4eudA:
22.65
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.
4g4e ATP-DEPENDENT
PROTEASE SUBUNIT
HSLV


(Escherichia
coli)
PF00227
(Proteasome)
4 PHE A  60
ALA A  75
GLY A  69
LEU A  71
None
1.04A 4dubA-4g4eA:
undetectable
4dubA-4g4eA:
19.26
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.
4gqb PROTEIN ARGININE
N-METHYLTRANSFERASE
5


(Homo sapiens)
PF05185
(PRMT5)
PF17285
(PRMT5_TIM)
PF17286
(PRMT5_C)
4 ALA A 210
PRO A 156
LEU A 163
VAL A 158
None
0.90A 4dubA-4gqbA:
undetectable
4dubA-4gqbA:
22.74
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.
4if2 PHOSPHOTRIESTERASE
HOMOLOGY PROTEIN


(Mycobacterium
tuberculosis)
PF02126
(PTE)
4 ALA A 147
GLY A 156
LEU A 161
VAL A 160
None
1.01A 4dubA-4if2A:
undetectable
4dubA-4if2A:
22.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iin 3-KETOACYL-ACYL
CARRIER PROTEIN
REDUCTASE (FABG)


(Helicobacter
pylori)
PF13561
(adh_short_C2)
4 PHE A  62
ALA A  73
GLY A 121
LEU A   9
None
0.66A 4dubA-4iinA:
undetectable
4dubA-4iinA:
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.
4ivf PUTATIVE
UNCHARACTERIZED
PROTEIN


(Lodderomyces
elongisporus)
PF00043
(GST_C)
PF02798
(GST_N)
4 PHE A 154
GLY A 119
PRO A 120
VAL A 115
None
GSH  A 301 (-3.7A)
GSH  A 301 (-3.2A)
None
0.96A 4dubA-4ivfA:
undetectable
4dubA-4ivfA:
19.92
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.
4l68 LEUCINE-RICH REPEAT
PROTEIN KINASE-LIKE
PROTEIN


(Arabidopsis
thaliana)
PF07714
(Pkinase_Tyr)
4 ALA A 411
GLY A 493
LEU A 498
VAL A 497
None
0.91A 4dubA-4l68A:
undetectable
4dubA-4l68A:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lrs ACETALDEHYDE
DEHYDROGENASE


(Thermomonospora
curvata)
PF01118
(Semialdhyde_dh)
PF09290
(AcetDehyd-dimer)
4 ALA B  99
GLY B  30
PRO B  31
VAL B  29
NAD  B 401 ( 3.7A)
NAD  B 401 (-3.3A)
NAD  B 401 (-3.7A)
NAD  B 401 (-4.7A)
1.05A 4dubA-4lrsB:
undetectable
4dubA-4lrsB:
19.92
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.
4lry PTS-DEPENDENT
DIHYDROXYACETONE
KINASE OPERON
REGULATORY PROTEIN


(Escherichia
coli)
PF00989
(PAS)
4 ALA C  52
GLY C 186
LEU C  56
VAL C 185
None
0.98A 4dubA-4lryC:
undetectable
4dubA-4lryC:
23.28
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.
4ofs PROBABLE LIPOAMIDE
ACYLTRANSFERASE


(Thermoplasma
acidophilum)
PF00198
(2-oxoacid_dh)
4 PHE A 148
ALA A 171
GLY A 174
LEU A 191
None
1.05A 4dubA-4ofsA:
undetectable
4dubA-4ofsA:
18.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uzs BETA-GALACTOSIDASE

(Bifidobacterium
bifidum)
PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C)
4 PHE A 317
ALA A 354
GLY A  24
LEU A  50
None
0.76A 4dubA-4uzsA:
undetectable
4dubA-4uzsA:
22.00
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.
4wjg HAPTOGLOBIN

(Homo sapiens)
no annotation 4 PHE C 335
ALA C 269
GLY C 275
VAL C 357
None
0.51A 4dubA-4wjgC:
undetectable
4dubA-4wjgC:
22.54
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.
4wjs RSA4

(Chaetomium
thermophilum)
PF00400
(WD40)
4 PHE A 412
ALA A 433
LEU A 386
VAL A 397
None
1.00A 4dubA-4wjsA:
undetectable
4dubA-4wjsA:
21.02
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.
4wxb SERINE
HYDROXYMETHYLTRANSFE
RASE


(Streptococcus
thermophilus)
PF00464
(SHMT)
4 ALA A 272
GLY A 228
PRO A 229
LEU A 269
None
0.99A 4dubA-4wxbA:
undetectable
4dubA-4wxbA:
22.48
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.
4x0l HAPTOGLOBIN

(Homo sapiens)
PF00089
(Trypsin)
4 PHE C 339
ALA C 273
GLY C 279
VAL C 361
None
0.45A 4dubA-4x0lC:
undetectable
4dubA-4x0lC:
19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xa8 D-ISOMER SPECIFIC
2-HYDROXYACID
DEHYDROGENASE
NAD-BINDING


(Xanthobacter
autotrophicus)
PF02826
(2-Hacid_dh_C)
4 ALA A 158
GLY A 147
LEU A 162
VAL A 169
None
0.98A 4dubA-4xa8A:
undetectable
4dubA-4xa8A:
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.
4xk2 ALDO/KETO REDUCTASE

(Polaromonas sp.
JS666)
PF00248
(Aldo_ket_red)
4 PHE A  56
ALA A  82
GLY A  52
LEU A  49
None
0.98A 4dubA-4xk2A:
undetectable
4dubA-4xk2A:
22.97
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.
4yg8 CHITIN BIOSYNTHESIS
PROTEIN CHS5


(Saccharomyces
cerevisiae)
PF00533
(BRCT)
PF16893
(fn3_2)
4 ALA A 232
GLY A 179
PRO A 180
LEU A 229
None
0.96A 4dubA-4yg8A:
undetectable
4dubA-4yg8A:
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.
4yyc PUTATIVE
TRIMETHYLAMINE
METHYLTRANSFERASE


(Sinorhizobium
meliloti)
PF06253
(MTTB)
4 PHE A 317
ALA A 319
GLY A 397
LEU A 359
UNL  A 601 ( 4.4A)
None
None
None
1.01A 4dubA-4yycA:
undetectable
4dubA-4yycA:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z0n PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR


(Streptobacillus
moniliformis)
PF13407
(Peripla_BP_4)
4 PHE A  40
ALA A 282
GLY A 134
VAL A 317
GAL  A 405 (-3.7A)
SO4  A 404 ( 4.7A)
None
None
0.72A 4dubA-4z0nA:
undetectable
4dubA-4z0nA:
21.49
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.
5b58 PUTATIVE HEMIN ABC
TRANSPORT SYSTEM,
MEMBRANE PROTEIN


(Burkholderia
cenocepacia)
PF01032
(FecCD)
4 ALA A 299
GLY A 310
PRO A 309
VAL A 307
None
0.86A 4dubA-5b58A:
1.8
4dubA-5b58A:
21.78
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.
5brr TISSUE-TYPE
PLASMINOGEN
ACTIVATOR


(Homo sapiens)
PF00089
(Trypsin)
4 PHE E  59
ALA E 104
GLY E  44
LEU E 106
None
0.74A 4dubA-5brrE:
undetectable
4dubA-5brrE:
21.40
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.
5cju ISOBUTYRYL-COA
MUTASE FUSED


(Cupriavidus
metallidurans)
PF01642
(MM_CoA_mutase)
PF02310
(B12-binding)
PF03308
(ArgK)
4 PHE A 304
GLY A 175
LEU A 180
VAL A 172
None
1.03A 4dubA-5cjuA:
undetectable
4dubA-5cjuA:
18.51
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.
5dgk ACTIVE HELICASE

(Staphylococcus
aureus)
PF06048
(DUF927)
4 PHE A 208
ALA A 219
GLY A 184
VAL A 181
None
0.94A 4dubA-5dgkA:
undetectable
4dubA-5dgkA:
23.39
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.
5dqn CYTOCHROME P450
CYP125


(Mycolicibacterium
smegmatis)
PF00067
(p450)
4 PHE A 241
ALA A 207
LEU A 166
VAL A 168
None
1.03A 4dubA-5dqnA:
29.5
4dubA-5dqnA:
23.24
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.
5e3c DIPEPTIDYL PEPTIDASE
3


(Homo sapiens)
PF03571
(Peptidase_M49)
4 PHE A 314
GLY A  44
LEU A 255
VAL A 258
None
0.94A 4dubA-5e3cA:
undetectable
4dubA-5e3cA:
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.
5ecf CELL WALL ANTIGEN

(Talaromyces
marneffei)
PF12296
(HsbA)
4 PHE A 154
ALA A 153
GLY A  95
PRO A  96
None
1.06A 4dubA-5ecfA:
undetectable
4dubA-5ecfA:
14.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ecx DEHYDROFOLATE
REDUCTASE TYPE I


(Klebsiella
pneumoniae)
PF00186
(DHFR_1)
4 PHE A  31
GLY A  97
LEU A  40
VAL A  42
5N1  A 202 (-4.1A)
NAP  A 201 ( 3.8A)
None
None
0.95A 4dubA-5ecxA:
undetectable
4dubA-5ecxA:
17.25
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.
5eik UNCHARACTERIZED
PROTEIN Y57A10A.28


(Caenorhabditis
elegans)
PF05197
(TRIC)
4 PHE A 229
ALA A 197
GLY A 164
VAL A 161
None
0.76A 4dubA-5eikA:
1.5
4dubA-5eikA:
21.50
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.
5eod COAGULATION FACTOR
XI


(Homo sapiens)
PF00024
(PAN_1)
PF00089
(Trypsin)
4 PHE A 415
ALA A 464
GLY A 400
LEU A 466
None
0.73A 4dubA-5eodA:
undetectable
4dubA-5eodA:
18.41
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.
5eue PUTATIVE
SPHINGOSINE-1-PHOSPH
ATE LYASE


(Symbiobacterium
thermophilum)
PF00282
(Pyridoxal_deC)
4 ALA A 226
GLY A 248
PRO A 247
VAL A 253
None
LLP  A 311 ( 4.7A)
None
None
0.92A 4dubA-5eueA:
undetectable
4dubA-5eueA:
23.45
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.
5ey5 LBCA-B

(synthetic
construct)
PF00291
(PALP)
4 ALA B 234
GLY B 307
PRO B 308
VAL B 188
None
0.85A 4dubA-5ey5B:
1.4
4dubA-5ey5B:
23.80
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.
5hjb PROTEIN AF-9

(Homo sapiens)
PF03366
(YEATS)
4 PHE A  47
GLY A  38
PRO A  39
LEU A  11
None
0.94A 4dubA-5hjbA:
undetectable
4dubA-5hjbA:
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.
5ja1 ENTEROBACTIN
SYNTHASE COMPONENT F


(Escherichia
coli)
PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C)
4 GLY A 288
PRO A 289
LEU A 140
VAL A 141
None
0.82A 4dubA-5ja1A:
undetectable
4dubA-5ja1A:
17.46
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.
5lhs UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR


(Mus musculus)
no annotation 5 PHE B  59
ALA B 104
GLY B  44
LEU B 106
VAL B  52
None
1.27A 4dubA-5lhsB:
undetectable
4dubA-5lhsB:
20.08
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.
5m8j DIVALENT METAL
CATION TRANSPORTER
MNTH


(Eremococcus
coleocola)
PF01566
(Nramp)
4 ALA A 236
GLY A  48
LEU A 240
VAL A  45
None
1.07A 4dubA-5m8jA:
1.2
4dubA-5m8jA:
20.33
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.
5w8o HOMOSERINE
O-ACETYLTRANSFERASE


(Mycolicibacterium
hassiacum)
PF00561
(Abhydrolase_1)
4 PHE A 126
GLY A 105
LEU A 103
VAL A 102
None
0.94A 4dubA-5w8oA:
undetectable
4dubA-5w8oA:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wmm NRPS

(Micromonospora
sp. ML1)
no annotation 4 PHE A 261
ALA A 289
LEU A 293
VAL A 294
None
0.98A 4dubA-5wmmA:
undetectable
4dubA-5wmmA:
9.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x6x MRNA CAPPING ENZYME
P5


(Rice dwarf
virus)
no annotation 4 PHE C 591
GLY C 149
PRO C 150
VAL C 588
None
1.02A 4dubA-5x6xC:
undetectable
4dubA-5x6xC:
11.97
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.
6ccz SERINE
HYDROXYMETHYLTRANSFE
RASE


(Medicago
truncatula)
no annotation 4 ALA A 371
GLY A 322
PRO A 323
LEU A 368
None
1.00A 4dubA-6cczA:
undetectable
4dubA-6cczA:
9.85
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.
6ems TRNA
(GUANINE(9)-/ADENINE
(9)-N1)-METHYLTRANSF
ERASE


(Thermococcus
kodakarensis)
no annotation 4 PHE A 148
ALA A 120
GLY A 154
PRO A 155
None
0.82A 4dubA-6emsA:
undetectable
4dubA-6emsA:
8.51
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.
6eq8 PERIPLASMIC
ALPHA-GALACTOSIDE-BI
NDING PROTEIN


(Agrobacterium
tumefaciens)
no annotation 4 PHE D 258
ALA D 104
GLY D 238
PRO D 239
None
1.03A 4dubA-6eq8D:
undetectable
4dubA-6eq8D:
10.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ffv -

(-)
no annotation 4 PHE A 165
ALA A  41
GLY A  99
LEU A  95
None
0.78A 4dubA-6ffvA:
2.0
4dubA-6ffvA:
undetectable