SIMILAR PATTERNS OF AMINO ACIDS FOR 4WQ4_A_ACTA403

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.
1a27 17-BETA-HYDROXYSTERO
ID-DEHYDROGENASE

(Homo sapiens) 		PF00106
(adh_short) 		3 VAL A 154
LEU A  95
VAL A 110
 None
 0.61A 4wq4A-1a27A:
2.5		 4wq4A-1a27A:
23.63
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.
1ad3 ALDEHYDE
DEHYDROGENASE (CLASS
3)

(Rattus
norvegicus) 		PF00171
(Aldedh) 		3 VAL A  66
LEU A  70
VAL A 125
 None
 0.59A 4wq4A-1ad3A:
0.8		 4wq4A-1ad3A:
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.
1ad3 ALDEHYDE
DEHYDROGENASE (CLASS
3)

(Rattus
norvegicus) 		PF00171
(Aldedh) 		3 VAL A 342
LEU A 250
VAL A 344
 None
 0.57A 4wq4A-1ad3A:
0.8		 4wq4A-1ad3A:
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.
1aq0 1,3-1,4-BETA-GLUCANA
SE

(Hordeum vulgare) 		PF00332
(Glyco_hydro_17) 		3 VAL A 109
LEU A 113
VAL A  73
 None
 0.48A 4wq4A-1aq0A:
undetectable		 4wq4A-1aq0A:
22.80
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.
1d8c MALATE SYNTHASE G

(Escherichia
coli) 		PF01274
(Malate_synthase) 		3 VAL A 656
LEU A 660
VAL A 600
 None
 0.58A 4wq4A-1d8cA:
undetectable		 4wq4A-1d8cA:
20.14
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.
1dlj UDP-GLUCOSE
DEHYDROGENASE

(Streptococcus
pyogenes) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		3 VAL A 389
LEU A 386
VAL A 393
 None
 0.55A 4wq4A-1dljA:
0.0		 4wq4A-1dljA:
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.
1e6z CHITINASE B

(Serratia
marcescens) 		PF00704
(Glyco_hydro_18) 		3 VAL A  74
LEU A  78
VAL A  33
 None
 0.58A 4wq4A-1e6zA:
0.5		 4wq4A-1e6zA:
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.
1ebl BETA-KETOACYL-ACP
SYNTHASE III

(Escherichia
coli) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		3 VAL A 242
LEU A 301
VAL A 280
 None
 0.63A 4wq4A-1eblA:
2.1		 4wq4A-1eblA:
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.
1ekj BETA-CARBONIC
ANHYDRASE

(Pisum sativum) 		PF00484
(Pro_CA) 		3 VAL A 291
LEU A 300
VAL A 207
 None
 0.63A 4wq4A-1ekjA:
0.6		 4wq4A-1ekjA:
21.32
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.
1f59 IMPORTIN BETA-1

(Homo sapiens) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		3 VAL A 424
LEU A 416
VAL A 387
 None
 0.53A 4wq4A-1f59A:
0.0		 4wq4A-1f59A:
23.33
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.
1fc9 PHOTOSYSTEM II D1
PROTEASE

(Tetradesmus
obliquus) 		PF03572
(Peptidase_S41)
PF13180
(PDZ_2) 		3 VAL A 215
LEU A 219
VAL A 202
 None
 0.56A 4wq4A-1fc9A:
undetectable		 4wq4A-1fc9A:
24.71
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.
1fcu HYALURONOGLUCOSAMINI
DASE

(Apis mellifera) 		PF01630
(Glyco_hydro_56) 		3 VAL A 245
LEU A 249
VAL A 262
 None
 0.50A 4wq4A-1fcuA:
2.7		 4wq4A-1fcuA:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fdr FLAVODOXIN REDUCTASE

(Escherichia
coli) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		3 VAL A  90
LEU A  39
VAL A  88
 None
 0.62A 4wq4A-1fdrA:
2.5		 4wq4A-1fdrA:
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.
1fdw 17-BETA-HYDROXYSTERO
ID DEHYDROGENASE

(Homo sapiens) 		PF00106
(adh_short) 		3 VAL A 154
LEU A  95
VAL A 110
 None
 0.58A 4wq4A-1fdwA:
undetectable		 4wq4A-1fdwA:
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.
1gey HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		3 VAL A  78
LEU A 227
VAL A  73
 None
 0.55A 4wq4A-1geyA:
undetectable		 4wq4A-1geyA:
24.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gpp ENDONUCLEASE PI-SCEI

(Saccharomyces
cerevisiae) 		PF05203
(Hom_end_hint) 		3 VAL A 450
LEU A 446
VAL A 452
 None
 0.63A 4wq4A-1gppA:
undetectable		 4wq4A-1gppA:
21.35
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.
1gso PROTEIN (GLYCINAMIDE
RIBONUCLEOTIDE
SYNTHETASE)

(Escherichia
coli) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		3 VAL A 128
LEU A 132
VAL A 168
 None
 0.59A 4wq4A-1gsoA:
undetectable		 4wq4A-1gsoA:
24.38
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.
1gz5 ALPHA-TREHALOSE-PHOS
PHATE SYNTHASE

(Escherichia
coli) 		PF00982
(Glyco_transf_20) 		3 VAL A 408
LEU A 412
VAL A 383
 None
 0.62A 4wq4A-1gz5A:
undetectable		 4wq4A-1gz5A:
21.73
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.
1hm6 ANNEXIN 1

(Sus scrofa) 		PF00191
(Annexin) 		3 VAL A 107
LEU A 111
VAL A 301
 None
 0.60A 4wq4A-1hm6A:
undetectable		 4wq4A-1hm6A:
22.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1iaw TYPE II RESTRICTION
ENZYME NAEI

(Lechevalieria
aerocolonigenes) 		PF09126
(NaeI) 		3 VAL A  69
LEU A  73
VAL A  35
 None
 0.55A 4wq4A-1iawA:
undetectable		 4wq4A-1iawA:
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.
1ik6 PYRUVATE
DEHYDROGENASE

(Pyrobaculum
aerophilum) 		PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		3 VAL A 218
LEU A 222
VAL A 234
 None
 0.44A 4wq4A-1ik6A:
undetectable		 4wq4A-1ik6A:
24.57
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.
1itu RENAL DIPEPTIDASE

(Homo sapiens) 		PF01244
(Peptidase_M19) 		3 VAL A  60
LEU A  55
VAL A 118
 None
 0.56A 4wq4A-1ituA:
undetectable		 4wq4A-1ituA:
23.27
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.
1j3n 3-OXOACYL-(ACYL-CARR
IER PROTEIN)
SYNTHASE II

(Thermus
thermophilus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		3 VAL A  17
LEU A  12
VAL A  52
 None
 0.59A 4wq4A-1j3nA:
2.0		 4wq4A-1j3nA:
23.74
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.
1j5s URONATE ISOMERASE

(Thermotoga
maritima) 		PF02614
(UxaC) 		3 VAL A 145
LEU A 140
VAL A 171
 None
 0.56A 4wq4A-1j5sA:
0.9		 4wq4A-1j5sA:
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.
1jsw L-ASPARTATE
AMMONIA-LYASE

(Escherichia
coli) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		3 VAL A 156
LEU A 160
VAL A 376
 None
 0.55A 4wq4A-1jswA:
undetectable		 4wq4A-1jswA:
23.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jxi PHOSPHOMETHYLPYRIMID
INE KINASE

(Salmonella
enterica) 		PF08543
(Phos_pyr_kin) 		3 VAL A  60
LEU A  64
VAL A  37
 None
 0.42A 4wq4A-1jxiA:
undetectable		 4wq4A-1jxiA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kbl PYRUVATE PHOSPHATE
DIKINASE

([Clostridium]
symbiosum) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C) 		3 VAL A 847
LEU A 849
VAL A 816
 None
 0.57A 4wq4A-1kblA:
2.4		 4wq4A-1kblA:
18.39
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.
1ku9 HYPOTHETICAL PROTEIN
MJ223

(Methanocaldococcus
jannaschii) 		PF01022
(HTH_5) 		3 VAL A  58
LEU A  62
VAL A  31
 None
 0.49A 4wq4A-1ku9A:
undetectable		 4wq4A-1ku9A:
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.
1l0b BRCA1

(Rattus
norvegicus) 		PF00533
(BRCT) 		3 VAL A1753
LEU A1777
VAL A1755
 None
 0.50A 4wq4A-1l0bA:
undetectable		 4wq4A-1l0bA:
21.27
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.
1lpe APOLIPOPROTEIN E3

(Homo sapiens) 		PF01442
(Apolipoprotein) 		3 VAL A  47
LEU A  51
VAL A  56
 None
 0.57A 4wq4A-1lpeA:
2.1		 4wq4A-1lpeA:
18.53
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.
1ltz PHENYLALANINE-4-HYDR
OXYLASE

(Chromobacterium
violaceum) 		PF00351
(Biopterin_H) 		3 VAL A 136
LEU A 140
VAL A 118
 None
 0.52A 4wq4A-1ltzA:
undetectable		 4wq4A-1ltzA:
23.82
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.
1m6y S-ADENOSYL-METHYLTRA
NSFERASE MRAW

(Thermotoga
maritima) 		PF01795
(Methyltransf_5) 		3 VAL A  16
LEU A  20
VAL A 240
 None
 0.59A 4wq4A-1m6yA:
1.8		 4wq4A-1m6yA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m9u EARTHWORM
FIBRINOLYTIC ENZYME

(Eisenia fetida) 		PF00089
(Trypsin) 		3 VAL A 209
LEU A 123
VAL A 231
 None
 0.59A 4wq4A-1m9uA:
undetectable		 4wq4A-1m9uA:
21.85
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.
1n8y PROTOONCOPROTEIN

(Rattus
norvegicus) 		PF00757
(Furin-like)
PF01030
(Recep_L_domain)
PF14843
(GF_recep_IV) 		3 VAL C  72
LEU C  49
VAL C  69
 None
 0.58A 4wq4A-1n8yC:
undetectable		 4wq4A-1n8yC:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nzy 4-CHLOROBENZOYL
COENZYME A
DEHALOGENASE

(Pseudomonas sp.
CBS3) 		PF00378
(ECH_1) 		3 VAL B 198
LEU B 202
VAL B 263
 None
 0.58A 4wq4A-1nzyB:
undetectable		 4wq4A-1nzyB:
25.36
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.
1o3u CONSERVED
HYPOTHETICAL PROTEIN
TM0613

(Thermotoga
maritima) 		PF05168
(HEPN) 		3 VAL A  51
LEU A  55
VAL A  35
 None
 0.49A 4wq4A-1o3uA:
undetectable		 4wq4A-1o3uA:
17.53
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.
1obg PHOSPHORIBOSYLAMIDOI
MIDAZOLE-
SUCCINOCARBOXAMIDE
SYNTHASE

(Saccharomyces
cerevisiae) 		PF01259
(SAICAR_synt) 		3 VAL A 275
LEU A 272
VAL A 278
 None
 0.49A 4wq4A-1obgA:
undetectable		 4wq4A-1obgA:
21.58
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.
1odi PURINE NUCLEOSIDE
PHOSPHORYLASE

(Thermus
thermophilus) 		PF01048
(PNP_UDP_1) 		3 VAL A  86
LEU A  18
VAL A  88
 None
 0.62A 4wq4A-1odiA:
undetectable		 4wq4A-1odiA:
23.90
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.
1ofh ATP-DEPENDENT HSL
PROTEASE ATP-BINDING
SUBUNIT HSLU

(Haemophilus
influenzae) 		PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		3 VAL A 278
LEU A 282
VAL A  96
 None
 0.52A 4wq4A-1ofhA:
undetectable		 4wq4A-1ofhA:
24.52
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.
1pcg ESTROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		3 VAL A 316
LEU A 320
VAL A 446
 None
 0.49A 4wq4A-1pcgA:
undetectable		 4wq4A-1pcgA:
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.
1pci PROCARICAIN

(Carica papaya) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		3 VAL A 134
LEU A 206
VAL A 132
 None
 0.55A 4wq4A-1pciA:
undetectable		 4wq4A-1pciA:
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.
1ptj NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA PART 1

(Rhodospirillum
rubrum) 		PF01262
(AlaDh_PNT_C)
PF05222
(AlaDh_PNT_N) 		3 VAL A 108
LEU A 112
VAL A  87
 None
 0.51A 4wq4A-1ptjA:
undetectable		 4wq4A-1ptjA:
22.87
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.
1pwe L-SERINE DEHYDRATASE

(Rattus
norvegicus) 		PF00291
(PALP) 		3 VAL A 176
LEU A 180
VAL A 149
 None
 0.46A 4wq4A-1pweA:
undetectable		 4wq4A-1pweA:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q1h TRANSCRIPTION FACTOR
E

(Sulfolobus
solfataricus) 		PF02002
(TFIIE_alpha) 		3 VAL A  50
LEU A  54
VAL A  23
 None
 0.56A 4wq4A-1q1hA:
undetectable		 4wq4A-1q1hA:
13.45
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.
1q1n HYPOTHETICAL
ZINC-TYPE ALCOHOL
DEHYDROGENASE-LIKE
PROTEIN IN PRE5-FET4
INTERGENIC REGION

(Saccharomyces
cerevisiae) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		3 VAL A 168
LEU A 172
VAL A 248
 None
 0.59A 4wq4A-1q1nA:
undetectable		 4wq4A-1q1nA:
20.10
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.
1q3s THERMOSOME ALPHA
SUBUNIT

(Thermococcus
sp. JCM 11816) 		PF00118
(Cpn60_TCP1) 		3 VAL A 336
LEU A 339
VAL A 333
 None
 0.62A 4wq4A-1q3sA:
undetectable		 4wq4A-1q3sA:
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.
1q5a EP-CADHERIN

(Mus musculus) 		PF00028
(Cadherin) 		3 VAL A 511
LEU A 513
VAL A 473
 None
 0.00A 4wq4A-1q5aA:
undetectable		 4wq4A-1q5aA:
17.53
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.
1qgr PROTEIN (IMPORTIN
BETA SUBUNIT)

(Homo sapiens) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		3 VAL A 424
LEU A 416
VAL A 387
 None
 0.50A 4wq4A-1qgrA:
undetectable		 4wq4A-1qgrA:
17.75
Potential target for repurposing, i.e. matched protein structure has less than 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) 		3 VAL A 548
LEU A 545
VAL A 599
 None
 0.49A 4wq4A-1r9jA:
undetectable		 4wq4A-1r9jA:
19.49
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.
1rp3 RNA POLYMERASE SIGMA
FACTOR SIGMA-28
(FLIA)

(Aquifex
aeolicus) 		PF04539
(Sigma70_r3)
PF04542
(Sigma70_r2)
PF04545
(Sigma70_r4) 		3 VAL A 118
LEU A 122
VAL A 101
 None
 0.52A 4wq4A-1rp3A:
undetectable		 4wq4A-1rp3A:
22.99
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.
1sq5 PANTOTHENATE KINASE

(Escherichia
coli) 		PF00485
(PRK) 		3 VAL A1312
LEU A1301
VAL A1309
 None
 0.59A 4wq4A-1sq5A:
undetectable		 4wq4A-1sq5A:
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.
1tf0 SERUM ALBUMIN

(Homo sapiens) 		PF00273
(Serum_albumin) 		3 VAL A 426
LEU A 430
VAL A 456
 None
 0.63A 4wq4A-1tf0A:
0.6		 4wq4A-1tf0A:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u6g TIP120 PROTEIN

(Homo sapiens) 		PF08623
(TIP120) 		3 VAL C1022
LEU C1015
VAL C 986
 None
 0.63A 4wq4A-1u6gC:
undetectable		 4wq4A-1u6gC:
14.01
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.
1un2 THIOL-DISULFIDE
INTERCHANGE PROTEIN

(Escherichia
coli) 		PF01323
(DSBA) 		3 VAL A 178
LEU A 182
VAL A  12
 None
 0.61A 4wq4A-1un2A:
undetectable		 4wq4A-1un2A:
20.64
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.
1urt CARBONIC ANHYDRASE V

(Mus musculus) 		PF00194
(Carb_anhydrase) 		3 VAL A 216
LEU A 148
VAL A 218
 None
 0.55A 4wq4A-1urtA:
undetectable		 4wq4A-1urtA:
20.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v84 GALACTOSYLGALACTOSYL
XYLOSYLPROTEIN
3-BETA-GLUCURONOSYLT
RANSFERASE 1

(Homo sapiens) 		PF03360
(Glyco_transf_43) 		3 VAL A 214
LEU A 297
VAL A 216
 None
 0.57A 4wq4A-1v84A:
undetectable		 4wq4A-1v84A:
23.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vcn CTP SYNTHETASE

(Thermus
thermophilus) 		PF00117
(GATase)
PF06418
(CTP_synth_N) 		3 VAL A 540
LEU A 544
VAL A 301
 None
 0.58A 4wq4A-1vcnA:
undetectable		 4wq4A-1vcnA:
22.32
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.
1vk1 CONSERVED
HYPOTHETICAL PROTEIN

(Pyrococcus
furiosus) 		PF02195
(ParBc) 		3 VAL A 113
LEU A 117
VAL A 164
 MLY  A 112 ( 3.4A)
None
None
 0.54A 4wq4A-1vk1A:
undetectable		 4wq4A-1vk1A:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w85 PYRUVATE
DEHYDROGENASE E1
COMPONENT, BETA
SUBUNIT

(Geobacillus
stearothermophilus) 		PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		3 VAL B 213
LEU B 217
VAL B 232
 None
 0.46A 4wq4A-1w85B:
undetectable		 4wq4A-1w85B:
20.54
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.
1wcx UROPORPHYRINOGEN III
SYNTHASE

(Thermus
thermophilus) 		PF02602
(HEM4) 		3 VAL A 184
LEU A 179
VAL A 216
 None
 0.60A 4wq4A-1wcxA:
1.2		 4wq4A-1wcxA:
25.28
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.
1wle SERYL-TRNA
SYNTHETASE

(Bos taurus) 		PF00587
(tRNA-synt_2b) 		3 VAL A 226
LEU A 230
VAL A 334
 None
 0.56A 4wq4A-1wleA:
undetectable		 4wq4A-1wleA:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wyt GLYCINE
DEHYDROGENASE
(DECARBOXYLATING)
SUBUNIT 1

(Thermus
thermophilus) 		PF02347
(GDC-P) 		3 VAL A 389
LEU A 393
VAL A 436
 None
 0.54A 4wq4A-1wytA:
undetectable		 4wq4A-1wytA:
24.19
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.
1xb7 STEROID HORMONE
RECEPTOR ERR1

(Homo sapiens) 		PF00104
(Hormone_recep) 		3 VAL A 294
LEU A 298
VAL A 423
 None
 0.49A 4wq4A-1xb7A:
undetectable		 4wq4A-1xb7A:
21.60
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.
1xfj CONSERVED
HYPOTHETICAL PROTEIN

(Caulobacter
vibrioides) 		PF02578
(Cu-oxidase_4) 		3 VAL A 210
LEU A 214
VAL A 142
 None
 0.58A 4wq4A-1xfjA:
undetectable		 4wq4A-1xfjA:
22.07
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.
1xjl ANNEXIN A2

(Homo sapiens) 		PF00191
(Annexin) 		3 VAL A  98
LEU A 102
VAL A 293
 None
 0.57A 4wq4A-1xjlA:
undetectable		 4wq4A-1xjlA:
23.50
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.
1xls ORPHAN NUCLEAR
RECEPTOR NR1I3

(Mus musculus) 		PF00104
(Hormone_recep) 		3 VAL E 124
LEU E 128
VAL E 270
 None
 0.59A 4wq4A-1xlsE:
undetectable		 4wq4A-1xlsE:
23.86
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.
1xvy SFUA

(Yersinia
enterocolitica) 		PF13343
(SBP_bac_6) 		3 VAL A 106
LEU A 213
VAL A 104
 None
 0.51A 4wq4A-1xvyA:
undetectable		 4wq4A-1xvyA:
21.85
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.
1y1u SIGNAL TRANSDUCER
AND ACTIVATOR OF
TRANSCRIPTION 5A

(Mus musculus) 		PF00017
(SH2)
PF01017
(STAT_alpha)
PF02864
(STAT_bind) 		3 VAL A 468
LEU A 342
VAL A 466
 None
 0.56A 4wq4A-1y1uA:
undetectable		 4wq4A-1y1uA:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ywq NITROREDUCTASE
FAMILY PROTEIN

(Bacillus cereus) 		PF00881
(Nitroreductase) 		3 VAL A 136
LEU A 140
VAL A  35
 None
 0.55A 4wq4A-1ywqA:
undetectable		 4wq4A-1ywqA:
18.91
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.
1z21 YOP PROTEINS
TRANSLOCATION
PROTEIN H

(Yersinia pestis) 		PF09025
(T3SS_needle_reg) 		3 VAL A  72
LEU A  76
VAL A  99
 None
 0.58A 4wq4A-1z21A:
undetectable		 4wq4A-1z21A:
15.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zx5 MANNOSEPHOSPHATE
ISOMERASE, PUTATIVE

(Archaeoglobus
fulgidus) 		PF01238
(PMI_typeI) 		3 VAL A 203
LEU A 207
VAL A  99
 None
 0.60A 4wq4A-1zx5A:
undetectable		 4wq4A-1zx5A:
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.
2a5v CARBONIC ANHYDRASE
(CARBONATE
DEHYDRATASE)
(CARBONIC
DEHYDRATASE)

(Mycobacterium
tuberculosis) 		PF00484
(Pro_CA) 		3 VAL A 110
LEU A 114
VAL A 138
 None
 0.61A 4wq4A-2a5vA:
undetectable		 4wq4A-2a5vA:
18.97
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.
2bjs ISOPENICILLIN N
SYNTHETASE

(Aspergillus
nidulans) 		PF03171
(2OG-FeII_Oxy)
PF14226
(DIOX_N) 		3 VAL A  14
LEU A  17
VAL A  28
 None
 0.52A 4wq4A-2bjsA:
1.0		 4wq4A-2bjsA:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bku IMPORTIN BETA-1
SUBUNIT

(Saccharomyces
cerevisiae) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		3 VAL B 427
LEU B 419
VAL B 390
 None
 0.48A 4wq4A-2bkuB:
undetectable		 4wq4A-2bkuB:
18.27
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.
2bs4 QUINOL-FUMARATE
REDUCTASE DIHEME
CYTOCHROME B SUBUNIT
C

(Wolinella
succinogenes) 		PF01127
(Sdh_cyt) 		3 VAL C 232
LEU C 236
VAL C 164
 None
 0.48A 4wq4A-2bs4C:
undetectable		 4wq4A-2bs4C:
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.
2cg8 DIHYDRONEOPTERIN
ALDOLASE
6-HYDROXYMETHYL-7,8-
DIHYDROPTERIN
SYNTHASE

(Streptococcus
pneumoniae) 		PF01288
(HPPK)
PF02152
(FolB) 		3 VAL A 241
LEU A 245
VAL A 175
 None
 0.52A 4wq4A-2cg8A:
undetectable		 4wq4A-2cg8A:
21.45
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.
2col BIFUNCTIONAL
HEMOLYSIN-ADENYLATE
CYCLASE

(Bordetella
pertussis) 		PF03497
(Anthrax_toxA) 		3 VAL A 279
LEU A 283
VAL A  30
 None
 0.49A 4wq4A-2colA:
undetectable		 4wq4A-2colA:
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.
2ctz O-ACETYL-L-HOMOSERIN
E SULFHYDRYLASE

(Thermus
thermophilus) 		PF01053
(Cys_Met_Meta_PP) 		3 VAL A 208
LEU A 204
VAL A 280
 None
 0.61A 4wq4A-2ctzA:
undetectable		 4wq4A-2ctzA:
23.65
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.
2czn CHITINASE

(Pyrococcus
furiosus) 		PF00553
(CBM_2) 		3 VAL A 346
LEU A 298
VAL A 338
 None
 0.61A 4wq4A-2cznA:
undetectable		 4wq4A-2cznA:
14.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d0j GALACTOSYLGALACTOSYL
XYLOSYLPROTEIN
3-BETA-GLUCURONOSYLT
RANSFERASE 2

(Homo sapiens) 		PF03360
(Glyco_transf_43) 		3 VAL A 204
LEU A 286
VAL A 206
 None
 0.59A 4wq4A-2d0jA:
undetectable		 4wq4A-2d0jA:
21.33
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.
2dm9 V-TYPE ATP SYNTHASE
SUBUNIT E

(Pyrococcus
horikoshii) 		PF01991
(vATP-synt_E) 		3 VAL A 106
LEU A 110
VAL A 162
 None
 0.41A 4wq4A-2dm9A:
undetectable		 4wq4A-2dm9A:
21.56
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.
2e6k TRANSKETOLASE

(Thermus
thermophilus) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		3 VAL A 553
LEU A 557
VAL A 572
 None
 0.51A 4wq4A-2e6kA:
undetectable		 4wq4A-2e6kA:
21.58
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.
2ejw HOMOSERINE
DEHYDROGENASE

(Thermus
thermophilus) 		PF00742
(Homoserine_dh)
PF03447
(NAD_binding_3) 		3 VAL A  41
LEU A  57
VAL A  43
 None
 0.51A 4wq4A-2ejwA:
undetectable		 4wq4A-2ejwA:
26.79
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.
2f1z UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 7

(Homo sapiens) 		PF00443
(UCH)
PF00917
(MATH) 		3 VAL A 263
LEU A 267
VAL A 274
 None
 0.42A 4wq4A-2f1zA:
undetectable		 4wq4A-2f1zA:
18.74
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.
2f6k METAL-DEPENDENT
HYDROLASE

(Lactobacillus
plantarum) 		PF04909
(Amidohydro_2) 		3 VAL A 140
LEU A 144
VAL A 109
 None
 0.50A 4wq4A-2f6kA:
undetectable		 4wq4A-2f6kA:
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.
2fqx MEMBRANE LIPOPROTEIN
TMPC

(Treponema
pallidum) 		PF02608
(Bmp) 		3 VAL A 133
LEU A 137
VAL A 172
 None
 0.63A 4wq4A-2fqxA:
undetectable		 4wq4A-2fqxA:
24.13
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.
2fxv XANTHINE
PHOSPHORIBOSYLTRANSF
ERASE

(Bacillus
subtilis) 		PF00156
(Pribosyltran) 		3 VAL A 186
LEU A 181
VAL A  14
 None
 0.59A 4wq4A-2fxvA:
undetectable		 4wq4A-2fxvA:
20.85
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.
2fzw ALCOHOL
DEHYDROGENASE CLASS
III CHI CHAIN

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		3 VAL A 168
LEU A 171
VAL A 341
 None
 0.60A 4wq4A-2fzwA:
undetectable		 4wq4A-2fzwA:
22.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g3n ALPHA-GLUCOSIDASE

(Sulfolobus
solfataricus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		3 VAL A 439
LEU A 434
VAL A 442
 None
 0.60A 4wq4A-2g3nA:
undetectable		 4wq4A-2g3nA:
18.60
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.
2g7l TETR-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		3 VAL A 128
LEU A 132
VAL A 149
 None
 0.46A 4wq4A-2g7lA:
undetectable		 4wq4A-2g7lA:
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.
2g9i F420-0:GAMMA-GLUTAMY
L LIGASE

(Archaeoglobus
fulgidus) 		PF01996
(F420_ligase) 		3 VAL A 218
LEU A 221
VAL A   3
 None
 0.62A 4wq4A-2g9iA:
undetectable		 4wq4A-2g9iA:
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.
2gx8 NIF3-RELATED PROTEIN

(Bacillus cereus) 		PF01784
(NIF3) 		3 VAL A 113
LEU A 117
VAL A 338
 None
 0.58A 4wq4A-2gx8A:
undetectable		 4wq4A-2gx8A:
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.
2h12 CITRATE SYNTHASE

(Acetobacter
aceti) 		PF00285
(Citrate_synt) 		3 VAL A 333
LEU A 337
VAL A 222
 None
None
SO4  A5047 ( 4.8A)
 0.56A 4wq4A-2h12A:
undetectable		 4wq4A-2h12A:
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.
2hau SEROTRANSFERRIN

(Homo sapiens) 		PF00405
(Transferrin) 		3 VAL A 431
LEU A 561
VAL A 429
 None
 0.53A 4wq4A-2hauA:
undetectable		 4wq4A-2hauA:
18.82
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.
2hf7 CLASS B ACID
PHOSPHATASE

(Escherichia
coli) 		PF03767
(Acid_phosphat_B) 		3 VAL A  93
LEU A  97
VAL A  26
 None
 0.57A 4wq4A-2hf7A:
undetectable		 4wq4A-2hf7A:
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.
2hyx PROTEIN DIPZ

(Mycobacterium
tuberculosis) 		PF00578
(AhpC-TSA) 		3 VAL A 537
LEU A 541
VAL A 427
 None
 0.50A 4wq4A-2hyxA:
undetectable		 4wq4A-2hyxA:
22.11
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.
2ipc PREPROTEIN
TRANSLOCASE SECA
SUBUNIT

(Thermus
thermophilus) 		PF01043
(SecA_PP_bind)
PF07516
(SecA_SW)
PF07517
(SecA_DEAD) 		3 VAL A 929
LEU A 933
VAL A 873
 None
 0.56A 4wq4A-2ipcA:
undetectable		 4wq4A-2ipcA:
18.49
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.
2jgr YEGS

(Escherichia
coli) 		PF00781
(DAGK_cat) 		3 VAL A  73
LEU A  77
VAL A  50
 None
 0.49A 4wq4A-2jgrA:
1.9		 4wq4A-2jgrA:
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.
2jgz CELL DIVISION
PROTEIN KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		3 VAL A 252
LEU A 255
VAL A 197
 None
 0.57A 4wq4A-2jgzA:
undetectable		 4wq4A-2jgzA:
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.
2ka0 UNCHARACTERIZED
PROTEIN TM1367

(Thermotoga
maritima) 		PF04126
(Cyclophil_like) 		3 VAL A  22
LEU A  26
VAL A  49
 None
 0.43A 4wq4A-2ka0A:
undetectable		 4wq4A-2ka0A:
19.14