SIMILAR PATTERNS OF AMINO ACIDS FOR 4ZZB_D_ACTD403

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.
1by7 PROTEIN (PLASMINOGEN
ACTIVATOR
INHIBITOR-2)

(Homo sapiens) 		PF00079
(Serpin) 		4 ILE A 103
ARG A  47
TYR A  43
GLU A  51
 None
 1.14A 4zzbD-1by7A:
undetectable		 4zzbD-1by7A:
25.79
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.
1cp2 NITROGENASE IRON
PROTEIN

(Clostridium
pasteurianum) 		PF00142
(Fer4_NifH) 		4 ILE A 205
ARG A   2
TYR A 145
GLU A 143
 None
 1.32A 4zzbD-1cp2A:
undetectable		 4zzbD-1cp2A:
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.
1dpb DIHYDROLIPOYL-TRANSA
CETYLASE

(Azotobacter
vinelandii) 		PF00198
(2-oxoacid_dh) 		4 ILE A 635
ARG A 624
TYR A 476
GLU A 480
 None
 1.40A 4zzbD-1dpbA:
undetectable		 4zzbD-1dpbA:
23.84
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.
1h0h FORMATE
DEHYDROGENASE
SUBUNIT ALPHA

(Desulfovibrio
gigas) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		4 ILE A 242
ARG A 237
TYR A 811
GLU A 813
 None
 1.47A 4zzbD-1h0hA:
undetectable		 4zzbD-1h0hA:
15.78
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.
1itz TRANSKETOLASE

(Zea mays) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 ILE A 477
ARG A 505
TYR A 658
GLU A 573
 None
 1.39A 4zzbD-1itzA:
0.0		 4zzbD-1itzA:
19.24
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.
1jal YCHF PROTEIN

(Haemophilus
influenzae) 		PF01926
(MMR_HSR1)
PF06071
(YchF-GTPase_C) 		4 ILE A 125
ARG A 179
TYR A 204
GLU A 229
 None
 1.49A 4zzbD-1jalA:
undetectable		 4zzbD-1jalA:
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.
1jji CARBOXYLESTERASE

(Archaeoglobus
fulgidus) 		PF07859
(Abhydrolase_3) 		4 ILE A   6
ARG A 281
TYR A 254
GLU A 253
 None
 1.31A 4zzbD-1jjiA:
undetectable		 4zzbD-1jjiA:
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.
1jqo PHOSPHOENOLPYRUVATE
CARBOXYLASE

(Zea mays) 		PF00311
(PEPcase) 		4 ILE A 591
ARG A 551
TYR A 587
GLU A 547
 None
 1.27A 4zzbD-1jqoA:
0.0		 4zzbD-1jqoA:
14.78
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.
1k1x 4-ALPHA-GLUCANOTRANS
FERASE

(Thermococcus
litoralis) 		PF03065
(Glyco_hydro_57)
PF09094
(DUF1925)
PF09095
(DUF1926) 		4 ILE A 603
ARG A 427
TYR A 432
GLU A 658
 None
 1.41A 4zzbD-1k1xA:
undetectable		 4zzbD-1k1xA:
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.
1m2v PROTEIN TRANSPORT
PROTEIN SEC24

(Saccharomyces
cerevisiae) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		4 ILE B 228
ARG B 280
TYR B 290
GLU B 282
 None
 1.14A 4zzbD-1m2vB:
4.6		 4zzbD-1m2vB:
16.26
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.
1nba N-CARBAMOYLSARCOSINE
AMIDOHYDROLASE

(Arthrobacter
sp.) 		PF00857
(Isochorismatase) 		4 ILE A 129
ARG A  83
TYR A  91
GLU A 139
 None
 1.26A 4zzbD-1nbaA:
undetectable		 4zzbD-1nbaA:
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.
1nne DNA MISMATCH REPAIR
PROTEIN MUTS

(Thermus
aquaticus) 		PF00488
(MutS_V)
PF01624
(MutS_I)
PF05188
(MutS_II)
PF05190
(MutS_IV)
PF05192
(MutS_III) 		4 ILE A 400
ARG A 509
TYR A 404
GLU A 381
 None
 1.39A 4zzbD-1nneA:
undetectable		 4zzbD-1nneA:
17.08
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.
1r9j TRANSKETOLASE

(Leishmania
mexicana) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 ILE A 462
ARG A 490
TYR A 635
GLU A 555
 None
 1.39A 4zzbD-1r9jA:
undetectable		 4zzbD-1r9jA:
17.96
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.
1sfj 3-DEHYDROQUINATE
DEHYDRATASE

(Staphylococcus
aureus) 		PF01487
(DHquinase_I) 		4 ILE A  89
ARG A  70
TYR A  85
GLU A 104
 None
DHK  A 239 (-3.6A)
None
None
 1.41A 4zzbD-1sfjA:
undetectable		 4zzbD-1sfjA:
20.82
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.
1u2z HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC

(Saccharomyces
cerevisiae) 		PF08123
(DOT1) 		4 ILE A 268
ARG A 441
TYR A 251
GLU A 249
 None
 1.35A 4zzbD-1u2zA:
undetectable		 4zzbD-1u2zA:
23.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z06 RAS-RELATED PROTEIN
RAB-33B

(Mus musculus) 		PF00071
(Ras) 		4 ILE A  37
ARG A  96
TYR A 104
GLU A 131
 None
 1.23A 4zzbD-1z06A:
undetectable		 4zzbD-1z06A:
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.
2ery RAS-RELATED PROTEIN
R-RAS2

(Homo sapiens) 		PF00071
(Ras) 		4 ILE A 175
ARG A  60
TYR A  15
GLU A  13
 None
 1.18A 4zzbD-2eryA:
undetectable		 4zzbD-2eryA:
18.61
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.
2f4n HYPOTHETICAL PROTEIN
MJ1651

(Methanocaldococcus
jannaschii) 		PF01887
(SAM_adeno_trans) 		4 ILE A 151
ARG A 123
TYR A 103
GLU A  97
 None
 1.00A 4zzbD-2f4nA:
undetectable		 4zzbD-2f4nA:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iod DIHYDROFLAVONOL
4-REDUCTASE

(Vitis vinifera) 		PF01370
(Epimerase) 		4 ILE A 239
ARG A 121
TYR A  30
GLU A   6
 None
 1.27A 4zzbD-2iodA:
undetectable		 4zzbD-2iodA:
22.49
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.
2o13 MUSCLE LIM PROTEIN

(Homo sapiens) 		PF00412
(LIM) 		4 ILE A 149
ARG A 122
TYR A 167
GLU A 165
 None
 1.40A 4zzbD-2o13A:
undetectable		 4zzbD-2o13A:
8.46
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.
2o49 DNA-BINDING PROTEIN
SATB1

(Homo sapiens) 		PF02376
(CUT) 		4 ILE A 443
ARG A 385
TYR A 444
GLU A 382
 None
 1.28A 4zzbD-2o49A:
undetectable		 4zzbD-2o49A:
15.09
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.
2ocz 3-DEHYDROQUINATE
DEHYDRATASE

(Streptococcus
pyogenes) 		PF01487
(DHquinase_I) 		4 ILE A  81
ARG A  62
TYR A  77
GLU A  96
 None
 1.30A 4zzbD-2oczA:
undetectable		 4zzbD-2oczA:
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.
2p1j DNA POLYMERASE III
POLC-TYPE

(Thermotoga
maritima) 		PF00929
(RNase_T) 		4 ILE A 378
ARG A 421
TYR A 392
GLU A 429
 None
 1.40A 4zzbD-2p1jA:
undetectable		 4zzbD-2p1jA:
19.68
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.
2psm INTERLEUKIN-15
INTERLEUKIN-15
RECEPTOR ALPHA CHAIN

(Mus musculus;
Mus musculus) 		PF02372
(IL15)
no annotation 		4 ILE A  21
ARG F  27
TYR A  54
GLU A  53
 None
 1.32A 4zzbD-2psmA:
2.4		 4zzbD-2psmA:
17.48
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.
2rgh ALPHA-GLYCEROPHOSPHA
TE OXIDASE

(Streptococcus
sp.) 		PF01266
(DAO)
PF16901
(DAO_C) 		4 ILE A 511
ARG A 175
TYR A 534
GLU A 539
 None
 1.50A 4zzbD-2rghA:
undetectable		 4zzbD-2rghA:
20.67
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.
2ybx PHOSPHATIDYLINOSITOL
-5-PHOSPHATE
4-KINASE TYPE-2
ALPHA

(Homo sapiens) 		PF01504
(PIP5K) 		4 ILE A 245
ARG A 349
TYR A 353
GLU A 351
 None
 1.06A 4zzbD-2ybxA:
undetectable		 4zzbD-2ybxA:
21.93
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.
2zzg ALANYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF01411
(tRNA-synt_2c)
PF07973
(tRNA_SAD) 		4 ILE A  75
ARG A   8
TYR A  76
GLU A 165
 None
 1.50A 4zzbD-2zzgA:
2.6		 4zzbD-2zzgA:
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.
3aqc COMPONENT B OF
HEXAPRENYL
DIPHOSPHATE SYNTHASE

(Micrococcus
luteus) 		PF00348
(polyprenyl_synt) 		4 ILE B  25
ARG B  46
TYR B  22
GLU B  18
 None
 1.47A 4zzbD-3aqcB:
undetectable		 4zzbD-3aqcB:
24.86
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.
3e2v 3'-5'-EXONUCLEASE

(Saccharomyces
cerevisiae) 		PF01026
(TatD_DNase) 		4 ILE A 405
ARG A  74
TYR A  38
GLU A 387
 None
 1.49A 4zzbD-3e2vA:
undetectable		 4zzbD-3e2vA:
23.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3igq GLR4197 PROTEIN

(Gloeobacter
violaceus) 		PF02931
(Neur_chan_LBD) 		4 ILE A  73
ARG A  85
TYR A 102
GLU A 104
 NA  A 801 ( 4.4A)
ACY  A 701 ( 3.2A)
ACY  A 701 ( 4.8A)
ACY  A 701 ( 4.8A)
 0.25A 4zzbD-3igqA:
24.7		 4zzbD-3igqA:
68.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jq0 SUSD SUPERFAMILY
PROTEIN

(Bacteroides
vulgatus) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 ILE A 392
ARG A 151
TYR A 393
GLU A 222
 None
 1.32A 4zzbD-3jq0A:
3.0		 4zzbD-3jq0A:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jsa HOMOSERINE
DEHYDROGENASE

(Thermoplasma
volcanium) 		PF00742
(Homoserine_dh)
PF03447
(NAD_binding_3) 		4 ILE A 201
ARG A 187
TYR A 178
GLU A 182
 None
SO4  A 502 (-3.7A)
None
None
 0.94A 4zzbD-3jsaA:
undetectable		 4zzbD-3jsaA:
24.03
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.
3ldu PUTATIVE METHYLASE

(Clostridioides
difficile) 		PF01170
(UPF0020)
PF02926
(THUMP) 		4 ILE A  87
ARG A 231
TYR A 140
GLU A 138
 None
None
FMT  A 384 (-4.9A)
None
 1.22A 4zzbD-3lduA:
undetectable		 4zzbD-3lduA:
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.
3lur PUTATIVE BACTERIAL
TRANSCRIPTION
REGULATION PROTEIN

(Staphylococcus
aureus) 		PF06445
(GyrI-like) 		4 ILE A  30
ARG A  36
TYR A  20
GLU A  18
 None
EDO  A 160 (-4.0A)
None
None
 1.48A 4zzbD-3lurA:
undetectable		 4zzbD-3lurA:
18.52
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.
3naf CALCIUM-ACTIVATED
POTASSIUM CHANNEL
SUBUNIT
ALPHA-1,CALCIUM-ACTI
VATED POTASSIUM
CHANNEL SUBUNIT
ALPHA-1,CALCIUM-ACTI
VATED POTASSIUM
CHANNEL SUBUNIT
ALPHA-1

(Homo sapiens) 		PF03493
(BK_channel_a) 		4 ILE A 953
ARG A 938
TYR A 463
GLU A 488
 None
 1.12A 4zzbD-3nafA:
undetectable		 4zzbD-3nafA:
16.35
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.
3ooq AMIDOHYDROLASE

(Thermotoga
maritima) 		PF01979
(Amidohydro_1) 		4 ILE A   7
ARG A 387
TYR A 379
GLU A 384
 None
 1.32A 4zzbD-3ooqA:
undetectable		 4zzbD-3ooqA:
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.
3s88 ENVELOPE
GLYCOPROTEIN

(Sudan
ebolavirus) 		PF01611
(Filo_glycop) 		4 ILE I  79
ARG I  85
TYR I 109
GLU I 178
 None
 1.35A 4zzbD-3s88I:
undetectable		 4zzbD-3s88I:
24.50
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.
3tts BETA-GALACTOSIDASE

(Bacillus
circulans) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		4 ILE A 390
ARG A 650
TYR A 629
GLU A 673
 None
 1.19A 4zzbD-3ttsA:
undetectable		 4zzbD-3ttsA:
18.44
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.
3uki OXYR

(Porphyromonas
gingivalis) 		PF03466
(LysR_substrate) 		4 ILE A 241
ARG A 230
TYR A 168
GLU A 233
 None
 1.24A 4zzbD-3ukiA:
undetectable		 4zzbD-3ukiA:
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.
4a2w RETINOIC ACID
INDUCIBLE PROTEIN I

(Anas
platyrhynchos) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF16739
(CARD_2) 		4 ILE A 514
ARG A 489
TYR A 510
GLU A 485
 None
 1.46A 4zzbD-4a2wA:
2.9		 4zzbD-4a2wA:
15.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c4a PROTEIN ARGININE
N-METHYLTRANSFERASE
7

(Mus musculus) 		PF06325
(PrmA) 		4 ILE A 625
ARG A 378
TYR A 391
GLU A 478
 None
 1.46A 4zzbD-4c4aA:
undetectable		 4zzbD-4c4aA:
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.
4f4p TYROSINE-PROTEIN
KINASE SYK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 ILE A 472
ARG A 599
TYR A 629
GLU A 600
 None
 1.21A 4zzbD-4f4pA:
undetectable		 4zzbD-4f4pA:
20.12
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.
4gji L-RHAMNOSE ISOMERASE

(Pseudomonas
stutzeri) 		no annotation 4 ILE A  40
ARG A 395
TYR A  26
GLU A 391
 None
 1.40A 4zzbD-4gjiA:
undetectable		 4zzbD-4gjiA:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ixl XYLANASE

(Bacillus sp.
(in: Bacteria)) 		PF00457
(Glyco_hydro_11) 		4 ILE A 134
ARG A  48
TYR A 176
GLU A 177
 None
 1.30A 4zzbD-4ixlA:
undetectable		 4zzbD-4ixlA:
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.
4k3j HEPATOCYTE GROWTH
FACTOR BETA CHAIN

(Homo sapiens) 		PF01403
(Sema)
PF01437
(PSI) 		4 ILE B 235
ARG B 277
TYR B 291
GLU B 293
 None
 1.37A 4zzbD-4k3jB:
undetectable		 4zzbD-4k3jB:
20.91
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.
4l7t NANU SIALIC ACID
BINDING PROTEIN

(Bacteroides
fragilis) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 ILE A 385
ARG A 144
TYR A 386
GLU A 215
 None
 1.35A 4zzbD-4l7tA:
1.7		 4zzbD-4l7tA:
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.
4nfu SENESCENCE-ASSOCIATE
D CARBOXYLESTERASE
101

(Arabidopsis
thaliana) 		PF01764
(Lipase_3) 		4 ILE B 486
ARG B 402
TYR B 482
GLU B 447
 None
 1.28A 4zzbD-4nfuB:
2.2		 4zzbD-4nfuB:
19.56
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.
4pqh GLUTATHIONE
TRANSFERASE LAMBDA1

(Populus
trichocarpa) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		4 ILE A  44
ARG A 181
TYR A 214
GLU A 180
 None
 1.42A 4zzbD-4pqhA:
undetectable		 4zzbD-4pqhA:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pqi IN2-1 FAMILY
PROTEIN, GLUTATHIONE
TRANSFERASE LAMBDA3

(Populus
trichocarpa) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		4 ILE A  49
ARG A 188
TYR A 221
GLU A 187
 None
 1.33A 4zzbD-4pqiA:
3.4		 4zzbD-4pqiA:
23.15
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.
4rh0 SPORE PHOTOPRODUCT
LYASE

(Geobacillus
thermodenitrificans) 		no annotation 4 ILE A 270
ARG A 193
TYR A 339
GLU A 268
 EEM  A 401 ( 4.3A)
None
None
None
 1.38A 4zzbD-4rh0A:
undetectable		 4zzbD-4rh0A:
19.90
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.
4wzb NITROGENASE IRON
PROTEIN 1

(Azotobacter
vinelandii) 		PF00142
(Fer4_NifH) 		4 ILE E 208
ARG E   3
TYR E 148
GLU E 146
 None
 1.37A 4zzbD-4wzbE:
undetectable		 4zzbD-4wzbE:
22.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4x5t PROTON-GATED ION
CHANNEL,GLRA1
PROTEIN,GLRA1
PROTEIN

(Homo sapiens;
Gloeobacter
violaceus) 		PF02931
(Neur_chan_LBD)
PF02932
(Neur_chan_memb) 		4 ILE A  73
ARG A  85
TYR A 102
GLU A 104
 None
CL  A 502 (-4.3A)
None
None
 0.13A 4zzbD-4x5tA:
35.1		 4zzbD-4x5tA:
70.99
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.
4x8d SULFOXIDE SYNTHASE
EGTB

(Mycolicibacterium
thermoresistibile) 		PF03781
(FGE-sulfatase)
PF12867
(DinB_2) 		4 ILE A 223
ARG A 421
TYR A 228
GLU A 281
 None
 0.96A 4zzbD-4x8dA:
2.0		 4zzbD-4x8dA:
20.97
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.
5epg ALDEHYDE OXIDASE

(Homo sapiens) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		4 ILE A 711
ARG A 906
TYR A 873
GLU A 871
 None
 1.40A 4zzbD-5epgA:
undetectable		 4zzbD-5epgA:
13.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ip9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1

(Saccharomyces
cerevisiae) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		4 ILE A 964
ARG A 896
TYR A1035
GLU A1034
 None
 1.46A 4zzbD-5ip9A:
2.9		 4zzbD-5ip9A:
11.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j1k TOXR-ACTIVATED GENE
(TAGE)

(Helicobacter
pylori) 		PF01551
(Peptidase_M23) 		4 ILE A 158
ARG A 252
TYR A 197
GLU A 250
 None
 1.30A 4zzbD-5j1kA:
undetectable		 4zzbD-5j1kA:
21.67
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.
5ja9 NANOBODY 6
TOXIN HIGB-2

(Lama glama;
Vibrio cholerae) 		PF07686
(V-set)
PF06296
(RelE) 		4 ILE C  81
ARG A  36
TYR C  18
GLU C  17
 None
EDO  A 202 ( 3.9A)
EDO  A 202 ( 3.6A)
EDO  A 202 (-3.6A)
 1.35A 4zzbD-5ja9C:
undetectable		 4zzbD-5ja9C:
15.06
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.
5jqk PEPTIDASE, PUTATIVE

(Plasmodium
falciparum) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N)
PF16188
(Peptidase_M24_C)
PF16189
(Creatinase_N_2) 		4 ILE A 768
ARG A 505
TYR A 764
GLU A 502
 None
 1.08A 4zzbD-5jqkA:
undetectable		 4zzbD-5jqkA:
19.91
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.
5kak UNCHARACTERIZED
PROTEIN

(Paraburkholderia
xenovorans) 		PF07978
(NIPSNAP) 		4 ILE A  83
ARG A  23
TYR A  78
GLU A  24
 None
 1.42A 4zzbD-5kakA:
undetectable		 4zzbD-5kakA:
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.
5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
ACETOPHENONE
CARBOXYLASE BETA
SUBUNIT

(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		PF02538
(Hydantoinase_B)
PF08882
(Acetone_carb_G) 		4 ILE A 614
ARG A 645
TYR A 514
GLU C  72
 None
 1.08A 4zzbD-5l9wA:
undetectable		 4zzbD-5l9wA:
17.86
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.
5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
ACETOPHENONE
CARBOXYLASE BETA
SUBUNIT

(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		PF02538
(Hydantoinase_B)
PF08882
(Acetone_carb_G) 		4 ILE A 614
ARG C  45
TYR A 514
GLU C  72
 None
 1.18A 4zzbD-5l9wA:
undetectable		 4zzbD-5l9wA:
17.86
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.
5ncw SERPIN-TYPE
PROTEINASE
INHIBITOR, MIROPIN

(Tannerella
forsythia) 		PF00079
(Serpin) 		4 ILE A 129
ARG A 303
TYR A 155
GLU A 326
 None
CL  A 508 (-3.2A)
None
None
 0.95A 4zzbD-5ncwA:
undetectable		 4zzbD-5ncwA:
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.
5nd5 TRANSKETOLASE

(Chlamydomonas
reinhardtii) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 ILE A 517
ARG A 545
TYR A 698
GLU A 613
 None
 1.36A 4zzbD-5nd5A:
1.4		 4zzbD-5nd5A:
19.19
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.
5oom MIEF1 UPSTREAM OPEN
READING FRAME
PROTEIN
ACYL CARRIER
PROTEIN,
MITOCHONDRIAL

(Homo sapiens;
Homo sapiens) 		PF00467
(KOW)
PF17136
(ribosomal_L24)
PF01016
(Ribosomal_L27) 		4 ILE w  93
ARG v  36
TYR w  90
GLU w 117
 None
 1.30A 4zzbD-5oomw:
undetectable		 4zzbD-5oomw:
16.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5osb PROTON-GATED ION
CHANNEL,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1

(Mus musculus;
Gloeobacter
violaceus) 		no annotation 4 ILE A  72
ARG A  84
TYR A 101
GLU A 103
 None
CL  A 504 (-4.7A)
None
None
 0.24A 4zzbD-5osbA:
32.9		 4zzbD-5osbA:
70.00
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.
5ur2 BIFUNCTIONAL PROTEIN
PUTA

(Bdellovibrio
bacteriovorus) 		PF00171
(Aldedh)
PF01619
(Pro_dh) 		4 ILE A   4
ARG A 356
TYR A 364
GLU A 333
 None
 1.10A 4zzbD-5ur2A:
2.2		 4zzbD-5ur2A:
16.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v6n PROTON-GATED ION
CHANNEL

(Gloeobacter
violaceus) 		no annotation 4 ILE C  73
ARG C  85
TYR C 102
GLU C 104
 None
 0.51A 4zzbD-5v6nC:
34.0		 4zzbD-5v6nC:
99.03
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.
5y1a -

(-) 		no annotation 4 ILE A 190
ARG A  93
TYR A 162
GLU A  20
 None
 0.85A 4zzbD-5y1aA:
undetectable		 4zzbD-5y1aA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ei3 PROTON-DEPENDENT
OLIGOPEPTIDE
TRANSPORTER FAMILY
PROTEIN

(Xanthomonas
campestris) 		no annotation 4 ILE A 125
ARG A  30
TYR A 101
GLU A  29
 None
 0.66A 4zzbD-6ei3A:
2.1		 4zzbD-6ei3A:
20.66
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.
6fkh ATP SYNTHASE SUBUNIT
ALPHA, CHLOROPLASTIC
ATP SYNTHASE DELTA
CHAIN, CHLOROPLASTIC

(Spinacia
oleracea;
Spinacia
oleracea) 		no annotation
no annotation 		4 ILE d 161
ARG C   5
TYR d  78
GLU C   8
 None
 1.44A 4zzbD-6fkhd:
undetectable		 4zzbD-6fkhd:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6g1o -

(-) 		no annotation 4 ILE A 171
ARG A 156
TYR A   4
GLU A  28
 None
 1.28A 4zzbD-6g1oA:
undetectable		 4zzbD-6g1oA:
undetectable