SIMILAR PATTERNS OF AMINO ACIDS FOR 3AQI_A_CHDA3_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site

Query pattern: Residues from known binding site for annotated drug that match the hit pattern


(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism
Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1a4i METHYLENETETRAHYDROF
OLATE DEHYDROGENASE
/
METHENYLTETRAHYDROFO
LATE CYCLOHYDROLASE


(Homo sapiens)
PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C)
3 PRO A 146
LEU A 135
ARG A 137
None
0.93A 3aqiA-1a4iA:
3.1
3aqiA-1a4iA:
23.97
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.
1bc5 CHEMOTAXIS RECEPTOR
METHYLTRANSFERASE


(Salmonella
enterica)
PF01739
(CheR)
PF03705
(CheR_N)
3 PRO A 178
LEU A 181
ARG A 187
None
0.84A 3aqiA-1bc5A:
2.0
3aqiA-1bc5A:
23.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bgx TP7 MAB

(Mus musculus)
PF07654
(C1-set)
PF07686
(V-set)
3 PRO H   9
LEU H 111
ARG H  38
None
0.82A 3aqiA-1bgxH:
undetectable
3aqiA-1bgxH:
20.81
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.
1bo6 ESTROGEN
SULFOTRANSFERASE


(Mus musculus)
PF00685
(Sulfotransfer_1)
3 PRO A 152
LEU A 144
ARG A 257
None
None
A3P  A 301 (-4.0A)
0.78A 3aqiA-1bo6A:
undetectable
3aqiA-1bo6A:
21.26
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.
1d5y ROB TRANSCRIPTION
FACTOR


(Escherichia
coli)
PF06445
(GyrI-like)
PF12833
(HTH_18)
3 PRO A 100
LEU A  66
ARG A  71
None
0.85A 3aqiA-1d5yA:
undetectable
3aqiA-1d5yA:
24.14
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.
1dgs DNA LIGASE

(Thermus
filiformis)
PF01653
(DNA_ligase_aden)
PF03120
(DNA_ligase_OB)
PF12826
(HHH_2)
PF14520
(HHH_5)
3 PRO A 403
LEU A 413
ARG A 421
None
0.60A 3aqiA-1dgsA:
undetectable
3aqiA-1dgsA:
19.13
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.
1eik RNA POLYMERASE
SUBUNIT RPB5


(Methanothermobacter
thermautotrophicus)
PF01191
(RNA_pol_Rpb5_C)
3 PRO A  33
LEU A  74
ARG A  53
None
0.80A 3aqiA-1eikA:
undetectable
3aqiA-1eikA:
11.42
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.
1ewk METABOTROPIC
GLUTAMATE RECEPTOR
SUBTYPE 1


(Rattus
norvegicus)
PF01094
(ANF_receptor)
3 PRO A 162
LEU A  50
ARG A  36
None
0.76A 3aqiA-1ewkA:
4.2
3aqiA-1ewkA:
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.
1fch PEROXISOMAL
TARGETING SIGNAL 1
RECEPTOR


(Homo sapiens)
PF13374
(TPR_10)
PF13432
(TPR_16)
3 PRO A 294
LEU A 295
ARG A 308
None
0.90A 3aqiA-1fchA:
undetectable
3aqiA-1fchA:
21.34
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.
1ge9 RIBOSOME RECYCLING
FACTOR


(Aquifex
aeolicus)
PF01765
(RRF)
3 PRO A 105
LEU A  91
ARG A  86
None
0.89A 3aqiA-1ge9A:
undetectable
3aqiA-1ge9A:
18.37
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.
1gey HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE


(Escherichia
coli)
PF00155
(Aminotran_1_2)
3 PRO A 328
LEU A 330
ARG A 335
None
None
PPE  A 413 (-3.3A)
0.84A 3aqiA-1geyA:
undetectable
3aqiA-1geyA:
20.77
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.
1gy8 UDP-GALACTOSE
4-EPIMERASE


(Trypanosoma
brucei)
PF01370
(Epimerase)
3 PRO A 224
LEU A 227
ARG A 374
None
0.87A 3aqiA-1gy8A:
2.1
3aqiA-1gy8A:
22.68
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.
1hc7 PROLYL-TRNA
SYNTHETASE


(Thermus
thermophilus)
PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1)
3 PRO A 378
LEU A 315
ARG A 312
None
0.87A 3aqiA-1hc7A:
4.9
3aqiA-1hc7A:
21.71
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.
1hkx CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE II ALPHA
CHAIN


(Mus musculus)
PF08332
(CaMKII_AD)
3 PRO A 375
LEU A 392
ARG A 396
None
0.91A 3aqiA-1hkxA:
undetectable
3aqiA-1hkxA:
17.63
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.
1i2m REGULATOR OF
CHROMOSOME
CONDENSATION 1


(Homo sapiens)
PF00415
(RCC1)
3 PRO B 208
LEU B 210
ARG B 217
None
0.90A 3aqiA-1i2mB:
undetectable
3aqiA-1i2mB:
21.19
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.
1iah TRANSIENT RECEPTOR
POTENTIAL-RELATED
PROTEIN


(Mus musculus)
PF02816
(Alpha_kinase)
3 PRO A1590
LEU A1593
ARG A1699
None
0.82A 3aqiA-1iahA:
undetectable
3aqiA-1iahA:
21.98
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.
1im9 KILLER CELL
IMMUNOGLOBULIN-LIKE
RECEPTOR 2DL1


(Homo sapiens)
PF00047
(ig)
3 PRO D  16
LEU D  17
ARG D 176
None
0.90A 3aqiA-1im9D:
undetectable
3aqiA-1im9D:
23.48
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.
1jd3 CHORISMATE LYASE

(Escherichia
coli)
PF04345
(Chor_lyase)
3 PRO A 162
LEU A 163
ARG A 140
None
0.88A 3aqiA-1jd3A:
undetectable
3aqiA-1jd3A:
20.76
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.
1jeq KU70

(Homo sapiens)
PF02037
(SAP)
PF02735
(Ku)
PF03730
(Ku_C)
PF03731
(Ku_N)
3 PRO A 343
LEU A 259
ARG A 258
None
0.92A 3aqiA-1jeqA:
4.5
3aqiA-1jeqA:
23.05
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.
1jhd SULFATE
ADENYLYLTRANSFERASE


(Sulfur-oxidizing
endosymbiont of
Riftia
pachyptila)
PF01747
(ATP-sulfurylase)
PF14306
(PUA_2)
3 PRO A  82
LEU A  84
ARG A 154
None
0.91A 3aqiA-1jhdA:
undetectable
3aqiA-1jhdA:
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.
1l0w ASPARTYL-TRNA
SYNTHETASE


(Thermus
thermophilus)
PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon)
PF02938
(GAD)
3 PRO A 454
LEU A 455
ARG A 462
None
0.88A 3aqiA-1l0wA:
undetectable
3aqiA-1l0wA:
22.38
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.
1leh LEUCINE
DEHYDROGENASE


(Lysinibacillus
sphaericus)
PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N)
3 PRO A  38
LEU A  76
ARG A 309
None
0.85A 3aqiA-1lehA:
3.3
3aqiA-1lehA:
22.08
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.
1m3a PROTO-ONCOGENE C-CRK

(Mus musculus)
PF00018
(SH3_1)
3 PRO A 152
LEU A 151
ARG A 179
None
0.85A 3aqiA-1m3aA:
undetectable
3aqiA-1m3aA:
11.00
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.
1mhs PLASMA MEMBRANE
ATPASE


(Neurospora
crassa)
PF00122
(E1-E2_ATPase)
PF00690
(Cation_ATPase_N)
PF00702
(Hydrolase)
3 PRO A 477
LEU A 478
ARG A 911
None
0.83A 3aqiA-1mhsA:
undetectable
3aqiA-1mhsA:
16.98
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.
1mjf SPERMIDINE SYNTHASE

(Pyrococcus
furiosus)
PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N)
3 PRO A  67
LEU A  70
ARG A 247
None
0.83A 3aqiA-1mjfA:
3.1
3aqiA-1mjfA:
22.40
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.
1mpx ALPHA-AMINO ACID
ESTER HYDROLASE


(Xanthomonas
citri)
PF02129
(Peptidase_S15)
PF08530
(PepX_C)
3 PRO A 298
LEU A 330
ARG A 327
None
0.56A 3aqiA-1mpxA:
undetectable
3aqiA-1mpxA:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n11 ANKYRIN

(Homo sapiens)
PF00023
(Ank)
PF12796
(Ank_2)
PF13637
(Ank_4)
PF13857
(Ank_5)
3 PRO A 539
LEU A 555
ARG A 558
None
0.77A 3aqiA-1n11A:
undetectable
3aqiA-1n11A:
22.60
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.
1n11 ANKYRIN

(Homo sapiens)
PF00023
(Ank)
PF12796
(Ank_2)
PF13637
(Ank_4)
PF13857
(Ank_5)
3 PRO A 572
LEU A 588
ARG A 591
None
0.89A 3aqiA-1n11A:
undetectable
3aqiA-1n11A:
22.60
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.
1n4k INOSITOL
1,4,5-TRISPHOSPHATE
RECEPTOR TYPE 1


(Mus musculus)
PF01365
(RYDR_ITPR)
PF02815
(MIR)
3 PRO A 405
LEU A 416
ARG A 265
None
None
I3P  A1000 (-3.0A)
0.89A 3aqiA-1n4kA:
undetectable
3aqiA-1n4kA:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ng0 COAT PROTEIN

(Cocksfoot
mottle virus)
PF00729
(Viral_coat)
3 PRO A  92
LEU A  95
ARG A  97
PRO  A  92 ( 1.1A)
LEU  A  95 ( 0.6A)
ARG  A  97 ( 0.6A)
0.92A 3aqiA-1ng0A:
undetectable
3aqiA-1ng0A:
19.95
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.
1pl0 BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH


(Homo sapiens)
PF01808
(AICARFT_IMPCHas)
PF02142
(MGS)
3 PRO A 227
LEU A 226
ARG A 194
None
0.87A 3aqiA-1pl0A:
undetectable
3aqiA-1pl0A:
19.50
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.
1ps6 4-HYDROXYTHREONINE-4
-PHOSPHATE
DEHYDROGENASE


(Escherichia
coli)
PF04166
(PdxA)
3 PRO A  77
LEU A  76
ARG A   6
None
0.75A 3aqiA-1ps6A:
4.9
3aqiA-1ps6A:
22.86
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.
1qgo ANAEROBIC COBALAMIN
BIOSYNTHETIC COBALT
CHELATASE


(Salmonella
enterica)
PF06180
(CbiK)
3 PRO A  62
LEU A  66
ARG A 101
None
0.84A 3aqiA-1qgoA:
2.1
3aqiA-1qgoA:
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.
1qu4 ORNITHINE
DECARBOXYLASE


(Trypanosoma
brucei)
PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N)
3 PRO A 338
LEU A 381
ARG A 342
None
0.84A 3aqiA-1qu4A:
undetectable
3aqiA-1qu4A:
22.52
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.
1r0v TRNA-INTRON
ENDONUCLEASE


(Archaeoglobus
fulgidus)
PF01974
(tRNA_int_endo)
PF02778
(tRNA_int_endo_N)
3 PRO A  95
LEU A  87
ARG A  74
None
0.91A 3aqiA-1r0vA:
undetectable
3aqiA-1r0vA:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sy7 CATALASE 1

(Neurospora
crassa)
PF00199
(Catalase)
PF01965
(DJ-1_PfpI)
PF06628
(Catalase-rel)
3 PRO A 669
LEU A 668
ARG A 643
None
0.87A 3aqiA-1sy7A:
2.8
3aqiA-1sy7A:
19.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1taq TAQ DNA POLYMERASE

(Thermus
aquaticus)
PF00476
(DNA_pol_A)
PF01367
(5_3_exonuc)
PF02739
(5_3_exonuc_N)
PF09281
(Taq-exonuc)
3 PRO A 548
LEU A 552
ARG A 563
None
0.77A 3aqiA-1taqA:
4.0
3aqiA-1taqA:
18.06
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.
1tll NITRIC-OXIDE
SYNTHASE, BRAIN


(Rattus
norvegicus)
PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1)
3 PRO A1106
LEU A1109
ARG A1124
None
0.88A 3aqiA-1tllA:
2.5
3aqiA-1tllA:
19.39
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.
1u0k GENE PRODUCT PA4716

(Pseudomonas
aeruginosa)
PF02567
(PhzC-PhzF)
3 PRO A 168
LEU A 198
ARG A 203
None
0.75A 3aqiA-1u0kA:
undetectable
3aqiA-1u0kA:
21.39
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.
1ufv PANTOATE-BETA-ALANIN
E LIGASE


(Thermus
thermophilus)
PF02569
(Pantoate_ligase)
3 PRO A  23
LEU A  35
ARG A  38
GOL  A1400 (-4.8A)
None
None
0.90A 3aqiA-1ufvA:
undetectable
3aqiA-1ufvA:
22.25
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.
1umf CHORISMATE SYNTHASE

(Helicobacter
pylori)
PF01264
(Chorismate_synt)
3 PRO A 218
LEU A 217
ARG A 209
None
0.90A 3aqiA-1umfA:
undetectable
3aqiA-1umfA:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uzr RIBONUCLEOTIDE
REDUCTASE R2-2 SMALL
SUBUNIT


(Mycobacterium
tuberculosis)
PF00268
(Ribonuc_red_sm)
3 PRO A 152
LEU A 153
ARG A 220
CIT  A1294 (-3.1A)
CIT  A1294 (-3.9A)
None
0.84A 3aqiA-1uzrA:
undetectable
3aqiA-1uzrA:
22.45
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.
1v02 DHURRINASE

(Sorghum bicolor)
PF00232
(Glyco_hydro_1)
3 PRO A 418
LEU A 421
ARG A 489
None
0.89A 3aqiA-1v02A:
undetectable
3aqiA-1v02A:
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.
1v9p DNA LIGASE

(Thermus
filiformis)
PF01653
(DNA_ligase_aden)
PF03120
(DNA_ligase_OB)
PF12826
(HHH_2)
PF14520
(HHH_5)
3 PRO A 406
LEU A 416
ARG A 424
None
0.60A 3aqiA-1v9pA:
undetectable
3aqiA-1v9pA:
21.96
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.
1vky S-ADENOSYLMETHIONINE
:TRNA
RIBOSYLTRANSFERASE-I
SOMERASE


(Thermotoga
maritima)
PF02547
(Queuosine_synth)
3 PRO A  11
LEU A  14
ARG A  27
None
0.91A 3aqiA-1vkyA:
2.8
3aqiA-1vkyA:
23.10
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.
1w93 ACETYL-COENZYME A
CARBOXYLASE


(Saccharomyces
cerevisiae)
PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2)
3 PRO A  29
LEU A  28
ARG A  24
None
0.85A 3aqiA-1w93A:
3.2
3aqiA-1w93A:
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.
1wfk ZINC FINGER, FYVE
DOMAIN CONTAINING 19


(Mus musculus)
PF01363
(FYVE)
3 PRO A  47
LEU A  64
ARG A  66
None
0.75A 3aqiA-1wfkA:
undetectable
3aqiA-1wfkA:
13.35
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.
1wls L-ASPARAGINASE

(Pyrococcus
horikoshii)
PF00710
(Asparaginase)
3 PRO A 286
LEU A 280
ARG A 277
None
0.73A 3aqiA-1wlsA:
4.7
3aqiA-1wlsA:
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.
1wqa PHOSPHO-SUGAR MUTASE

(Pyrococcus
horikoshii)
PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III)
3 PRO A  20
LEU A  57
ARG A  48
PRO  A  20 ( 1.1A)
LEU  A  57 ( 0.6A)
ARG  A  48 ( 0.6A)
0.91A 3aqiA-1wqaA:
2.7
3aqiA-1wqaA:
20.24
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.
1x9n DNA LIGASE I

(Homo sapiens)
PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C)
3 PRO A 518
LEU A 328
ARG A 409
None
0.69A 3aqiA-1x9nA:
undetectable
3aqiA-1x9nA:
19.14
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.
1xt8 PUTATIVE AMINO-ACID
TRANSPORTER
PERIPLASMIC
SOLUTE-BINDING
PROTEIN


(Campylobacter
jejuni)
PF00497
(SBP_bac_3)
3 PRO A 206
LEU A  49
ARG A  52
None
0.80A 3aqiA-1xt8A:
undetectable
3aqiA-1xt8A:
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.
1ycq MDM2

(Xenopus laevis)
PF02201
(SWIB)
3 PRO A  26
LEU A 103
ARG A 101
None
0.88A 3aqiA-1ycqA:
undetectable
3aqiA-1ycqA:
16.72
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.
2b5d ALPHA-AMYLASE

(Thermotoga
maritima)
PF03065
(Glyco_hydro_57)
PF09210
(DUF1957)
3 PRO X  97
LEU X  98
ARG X 293
None
0.90A 3aqiA-2b5dX:
undetectable
3aqiA-2b5dX:
21.97
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.
2bi0 HYPOTHETICAL PROTEIN
RV0216


(Mycobacterium
tuberculosis)
no annotation 3 PRO A 282
LEU A 247
ARG A 246
None
0.63A 3aqiA-2bi0A:
undetectable
3aqiA-2bi0A:
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.
2bih NITRATE REDUCTASE
[NADPH]


(Ogataea angusta)
PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer)
3 PRO A 134
LEU A 167
ARG A  30
None
0.78A 3aqiA-2bihA:
undetectable
3aqiA-2bihA:
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.
2cl2 PUTATIVE
LAMINARINASE


(Phanerochaete
chrysosporium)
no annotation 3 PRO A 100
LEU A 251
ARG A  55
None
None
NAG  A1299 (-3.0A)
0.87A 3aqiA-2cl2A:
undetectable
3aqiA-2cl2A:
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.
2dcl HYPOTHETICAL UPF0166
PROTEIN PH1503


(Pyrococcus
horikoshii)
PF02641
(DUF190)
3 PRO A 103
LEU A  10
ARG A  79
None
0.90A 3aqiA-2dclA:
undetectable
3aqiA-2dclA:
17.63
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.
2di3 BACTERIAL REGULATORY
PROTEINS, GNTR
FAMILY


(Corynebacterium
glutamicum)
PF00392
(GntR)
PF07729
(FCD)
3 PRO A 183
LEU A 182
ARG A 178
None
0.85A 3aqiA-2di3A:
undetectable
3aqiA-2di3A:
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.
2dkd PHOSPHOACETYLGLUCOSA
MINE MUTASE


(Candida
albicans)
PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
3 PRO A 490
LEU A 487
ARG A 512
None
None
NG1  A 901 (-3.0A)
0.88A 3aqiA-2dkdA:
undetectable
3aqiA-2dkdA:
20.81
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.
2e0x GAMMA-GLUTAMYLTRANSP
EPTIDASE


(Escherichia
coli)
PF01019
(G_glu_transpept)
3 PRO A 133
LEU A 127
ARG A 123
None
0.91A 3aqiA-2e0xA:
undetectable
3aqiA-2e0xA:
22.17
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.
2ec5 DERMONECROTIC TOXIN

(Pasteurella
multocida)
PF11647
(MLD)
3 PRO A 593
LEU A 596
ARG A 653
None
0.75A 3aqiA-2ec5A:
undetectable
3aqiA-2ec5A:
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.
2fj0 CARBOXYLIC ESTER
HYDROLASE


(Manduca sexta)
PF00135
(COesterase)
3 PRO A  64
LEU A  73
ARG A 197
None
0.81A 3aqiA-2fj0A:
2.8
3aqiA-2fj0A:
20.89
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.
2fwr DNA REPAIR PROTEIN
RAD25


(Archaeoglobus
fulgidus)
PF04851
(ResIII)
PF16203
(ERCC3_RAD25_C)
3 PRO A 251
LEU A 254
ARG A  95
None
0.82A 3aqiA-2fwrA:
3.3
3aqiA-2fwrA:
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.
2hun 336AA LONG
HYPOTHETICAL
DTDP-GLUCOSE
4,6-DEHYDRATASE


(Pyrococcus
horikoshii)
PF16363
(GDP_Man_Dehyd)
3 PRO A 118
LEU A 171
ARG A 237
None
0.89A 3aqiA-2hunA:
2.9
3aqiA-2hunA:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2icy PROBABLE
UTP-GLUCOSE-1-PHOSPH
ATE
URIDYLYLTRANSFERASE
2


(Arabidopsis
thaliana)
PF01704
(UDPGP)
3 PRO A 358
LEU A 357
ARG A 382
None
0.86A 3aqiA-2icyA:
2.8
3aqiA-2icyA:
21.19
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.
2iu3 BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH


(Gallus gallus)
PF01808
(AICARFT_IMPCHas)
PF02142
(MGS)
3 PRO A 228
LEU A 227
ARG A 195
None
0.81A 3aqiA-2iu3A:
undetectable
3aqiA-2iu3A:
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.
2j3h NADP-DEPENDENT
OXIDOREDUCTASE P1


(Arabidopsis
thaliana)
PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2)
3 PRO A 323
LEU A 326
ARG A  55
None
0.86A 3aqiA-2j3hA:
undetectable
3aqiA-2j3hA:
23.25
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.
2nql ISOMERASE/LACTONIZIN
G ENZYME


(Agrobacterium
fabrum)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
3 PRO A 161
LEU A 171
ARG A 178
None
0.68A 3aqiA-2nqlA:
undetectable
3aqiA-2nqlA:
21.87
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.
2o26 MAST/STEM CELL
GROWTH FACTOR
RECEPTOR


(Mus musculus)
no annotation 3 PRO X 167
LEU X 139
ARG X 113
None
0.92A 3aqiA-2o26X:
undetectable
3aqiA-2o26X:
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.
2paj PUTATIVE
CYTOSINE/GUANINE
DEAMINASE


(unidentified)
PF01979
(Amidohydro_1)
3 PRO A 434
LEU A 419
ARG A 418
None
0.82A 3aqiA-2pajA:
undetectable
3aqiA-2pajA:
22.29
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.
2pgg RNA-DIRECTED RNA
POLYMERASE


(Infectious
bursal disease
virus)
PF04197
(Birna_RdRp)
3 PRO A 100
LEU A  67
ARG A  65
None
0.88A 3aqiA-2pggA:
undetectable
3aqiA-2pggA:
19.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qdd MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME


(Roseovarius
nubinhibens)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
3 PRO A 132
LEU A 342
ARG A 160
None
0.89A 3aqiA-2qddA:
3.8
3aqiA-2qddA:
21.63
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.
2r79 PERIPLASMIC BINDING
PROTEIN


(Pseudomonas
aeruginosa)
PF01497
(Peripla_BP_2)
3 PRO A 209
LEU A 181
ARG A 228
None
None
HEM  A 500 (-2.8A)
0.63A 3aqiA-2r79A:
undetectable
3aqiA-2r79A:
22.47
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.
2rgh ALPHA-GLYCEROPHOSPHA
TE OXIDASE


(Streptococcus
sp.)
PF01266
(DAO)
PF16901
(DAO_C)
3 PRO A 544
LEU A 548
ARG A 559
None
0.42A 3aqiA-2rghA:
undetectable
3aqiA-2rghA:
19.63
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.
2uzx HEPATOCYTE GROWTH
FACTOR RECEPTOR


(Homo sapiens)
PF01403
(Sema)
PF01437
(PSI)
PF01833
(TIG)
3 PRO B 325
LEU B 329
ARG B 469
None
0.83A 3aqiA-2uzxB:
undetectable
3aqiA-2uzxB:
18.56
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.
2vnu EXOSOME COMPLEX
EXONUCLEASE RRP44


(Saccharomyces
cerevisiae)
PF00773
(RNB)
PF17215
(Rrp44_S1)
PF17216
(Rrp44_CSD1)
3 PRO D 457
LEU D 464
ARG D 437
None
0.92A 3aqiA-2vnuD:
undetectable
3aqiA-2vnuD:
18.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vo1 CTP SYNTHASE 1

(Homo sapiens)
PF06418
(CTP_synth_N)
3 PRO A 140
LEU A 130
ARG A 127
None
0.91A 3aqiA-2vo1A:
3.4
3aqiA-2vo1A:
21.11
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.
2vsm HEMAGGLUTININ-NEURAM
INIDASE


(Nipah
henipavirus)
PF00423
(HN)
3 PRO A 598
LEU A 198
ARG A 548
None
0.85A 3aqiA-2vsmA:
undetectable
3aqiA-2vsmA:
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.
2w55 XANTHINE
DEHYDROGENASE


(Rhodobacter
capsulatus)
PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2)
3 PRO B  27
LEU B  26
ARG B 223
None
0.89A 3aqiA-2w55B:
undetectable
3aqiA-2w55B:
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.
2we8 XANTHINE
DEHYDROGENASE


(Mycolicibacterium
smegmatis)
PF02625
(XdhC_CoxI)
PF13478
(XdhC_C)
3 PRO A 256
LEU A 288
ARG A 313
None
0.82A 3aqiA-2we8A:
5.1
3aqiA-2we8A:
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.
2wk8 CAI-1 AUTOINDUCER
SYNTHASE


(Vibrio cholerae)
PF00155
(Aminotran_1_2)
3 PRO A 149
LEU A 161
ARG A 164
None
0.89A 3aqiA-2wk8A:
3.0
3aqiA-2wk8A:
22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xwb COMPLEMENT C3B
ALPHA' CHAIN


(Homo sapiens)
PF00207
(A2M)
PF01759
(NTR)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF10569
(Thiol-ester_cl)
3 PRO B1183
LEU B1184
ARG B1179
None
0.84A 3aqiA-2xwbB:
undetectable
3aqiA-2xwbB:
19.17
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.
2yr5 PRO-ENZYME OF
L-PHENYLALANINE
OXIDASE


(Pseudomonas sp.
P-501)
no annotation 3 PRO A 232
LEU A 332
ARG A 329
None
0.80A 3aqiA-2yr5A:
undetectable
3aqiA-2yr5A:
19.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3aqi FERROCHELATASE

(Homo sapiens)
PF00762
(Ferrochelatase)
3 PRO A 102
LEU A 107
ARG A 114
CHD  A   3 ( 4.7A)
CHD  A   3 ( 4.6A)
CHD  A   2 (-3.6A)
0.00A 3aqiA-3aqiA:
63.2
3aqiA-3aqiA:
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.
3aw8 PHOSPHORIBOSYLAMINOI
MIDAZOLE
CARBOXYLASE, ATPASE
SUBUNIT


(Thermus
thermophilus)
PF02222
(ATP-grasp)
3 PRO A 261
LEU A 243
ARG A 187
None
0.84A 3aqiA-3aw8A:
2.2
3aqiA-3aw8A:
22.68
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.
3bn3 INTERCELLULAR
ADHESION MOLECULE 5


(Homo sapiens)
PF03921
(ICAM_N)
3 PRO B  98
LEU B 190
ARG B 128
None
0.82A 3aqiA-3bn3B:
undetectable
3aqiA-3bn3B:
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.
3bt4 FUNGAL PROTEASE
INHIBITOR-1


(Antheraea
mylitta)
PF12190
(amfpi-1)
3 PRO A  71
LEU A  72
ARG A  48
None
0.92A 3aqiA-3bt4A:
undetectable
3aqiA-3bt4A:
15.95
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.
3bwm CATECHOL
O-METHYLTRANSFERASE


(Homo sapiens)
PF01596
(Methyltransf_3)
3 PRO A  59
LEU A  80
ARG A  78
None
0.92A 3aqiA-3bwmA:
2.4
3aqiA-3bwmA:
17.60
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.
3d0k PUTATIVE
POLY(3-HYDROXYBUTYRA
TE) DEPOLYMERASE
LPQC


(Bordetella
parapertussis)
no annotation 3 PRO A  52
LEU A  80
ARG A  77
None
0.81A 3aqiA-3d0kA:
4.1
3aqiA-3d0kA:
20.48
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.
3dad FH1/FH2
DOMAIN-CONTAINING
PROTEIN 1


(Homo sapiens)
no annotation 3 PRO A  65
LEU A  66
ARG A 113
None
0.92A 3aqiA-3dadA:
undetectable
3aqiA-3dadA:
25.71
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.
3e49 UNCHARACTERIZED
PROTEIN DUF849 WITH
A TIM BARREL FOLD


(Paraburkholderia
xenovorans)
PF05853
(BKACE)
3 PRO A 210
LEU A 213
ARG A 217
None
None
ETX  A 501 (-3.5A)
0.81A 3aqiA-3e49A:
undetectable
3aqiA-3e49A:
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.
3euk CHROMOSOME PARTITION
PROTEIN MUKE


([Haemophilus]
ducreyi)
PF04288
(MukE)
3 PRO L 197
LEU L 103
ARG L 107
None
0.91A 3aqiA-3eukL:
undetectable
3aqiA-3eukL:
23.25
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.
3g8a RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G


(Thermus
thermophilus)
PF02527
(GidB)
3 PRO A 172
LEU A 202
ARG A 201
None
0.91A 3aqiA-3g8aA:
2.7
3aqiA-3g8aA:
23.56
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.
3gf5 MAJOR VAULT PROTEIN

(Mus musculus)
PF01505
(Vault)
3 PRO A 261
LEU A 229
ARG A 230
None
0.92A 3aqiA-3gf5A:
undetectable
3aqiA-3gf5A:
22.68
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.
3inn PANTOTHENATE
SYNTHETASE


(Brucella
melitensis)
PF02569
(Pantoate_ligase)
3 PRO A  28
LEU A  40
ARG A  43
ATP  A 300 (-4.9A)
ATP  A 300 (-4.7A)
None
0.88A 3aqiA-3innA:
2.4
3aqiA-3innA:
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.
3j9d OUTER CAPSID PROTEIN
VP2


(Bluetongue
virus)
PF00898
(Orbi_VP2)
3 PRO A 613
LEU A 604
ARG A 607
None
0.90A 3aqiA-3j9dA:
undetectable
3aqiA-3j9dA:
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.
3jv7 ADH-A

(Rhodococcus
ruber)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
3 PRO A 150
LEU A 151
ARG A 309
None
0.83A 3aqiA-3jv7A:
3.1
3aqiA-3jv7A:
21.59
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.
3jzd IRON-CONTAINING
ALCOHOL
DEHYDROGENASE


(Cupriavidus
pinatubonensis)
PF00465
(Fe-ADH)
3 PRO A 149
LEU A 148
ARG A 143
None
0.92A 3aqiA-3jzdA:
4.0
3aqiA-3jzdA:
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.
3k6k ESTERASE/LIPASE

(uncultured
bacterium)
PF07859
(Abhydrolase_3)
3 PRO A  18
LEU A  22
ARG A 203
None
0.88A 3aqiA-3k6kA:
3.6
3aqiA-3k6kA:
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.
3k7l ATRAGIN

(Naja atra)
PF00200
(Disintegrin)
PF01421
(Reprolysin)
PF08516
(ADAM_CR)
3 PRO A 476
LEU A 478
ARG A 463
None
0.89A 3aqiA-3k7lA:
4.6
3aqiA-3k7lA:
19.60