SIMILAR PATTERNS OF AMINO ACIDS FOR 5IKQ_A_JMSA602_2

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.
1a5l UREASE (ALPHA
SUBUNIT)

(Klebsiella
aerogenes) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		3 VAL C 377
SER C 297
MET C 364
 None
 0.91A 5ikqA-1a5lC:
0.0		 5ikqA-1a5lC:
21.41
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.
1ajz DIHYDROPTEROATE
SYNTHASE

(Escherichia
coli) 		PF00809
(Pterin_bind) 		3 VAL A 230
SER A 237
MET A 218
 None
 0.94A 5ikqA-1ajzA:
0.0		 5ikqA-1ajzA:
19.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ebv PROSTAGLANDIN H2
SYNTHASE

(Ovis aries) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		3 VAL A 116
SER A 353
MET A 522
 None
 0.38A 5ikqA-1ebvA:
33.9		 5ikqA-1ebvA:
63.88
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.
1f45 INTERLEUKIN-12 ALPHA
CHAIN

(Homo sapiens) 		PF03039
(IL12) 		3 VAL B 190
SER B 104
MET B 145
 None
 0.91A 5ikqA-1f45B:
undetectable		 5ikqA-1f45B:
16.16
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.
1gey HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		3 VAL A 249
SER A 213
MET A 265
 None
PPE  A 413 (-2.8A)
None
 0.77A 5ikqA-1geyA:
0.0		 5ikqA-1geyA:
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.
1h1y D-RIBULOSE-5-PHOSPHA
TE 3-EPIMERASE

(Oryza sativa) 		PF00834
(Ribul_P_3_epim) 		3 VAL A 146
SER A 201
MET A  12
 None
SO4  A1224 (-3.1A)
None
 0.94A 5ikqA-1h1yA:
0.0		 5ikqA-1h1yA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1k7y METHIONINE SYNTHASE

(Escherichia
coli) 		PF02310
(B12-binding)
PF02607
(B12-binding_2)
PF02965
(Met_synt_B12) 		3 VAL A 769
SER A 955
MET A1087
 None
B12  A1248 ( 4.5A)
None
 0.93A 5ikqA-1k7yA:
0.0		 5ikqA-1k7yA:
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.
1paq TRANSLATION
INITIATION FACTOR
EIF-2B EPSILON
SUBUNIT

(Saccharomyces
cerevisiae) 		PF02020
(W2) 		3 VAL A 596
SER A 657
MET A 636
 None
 0.94A 5ikqA-1paqA:
undetectable		 5ikqA-1paqA:
15.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pw4 GLYCEROL-3-PHOSPHATE
TRANSPORTER

(Escherichia
coli) 		PF07690
(MFS_1) 		3 VAL A 167
SER A 159
MET A 366
 None
 0.94A 5ikqA-1pw4A:
undetectable		 5ikqA-1pw4A:
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.
1qst TGCN5 HISTONE ACETYL
TRANSFERASE

(Tetrahymena
thermophila) 		PF00583
(Acetyltransf_1) 		3 VAL A 106
SER A  96
MET A 142
 None
 0.80A 5ikqA-1qstA:
0.0		 5ikqA-1qstA:
15.47
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.
1tqh CARBOXYLESTERASE
PRECURSOR

(Geobacillus
stearothermophilus) 		PF12146
(Hydrolase_4) 		3 VAL A 188
SER A 221
MET A 195
 None
 0.86A 5ikqA-1tqhA:
0.0		 5ikqA-1tqhA:
18.46
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.
1vzy 33 KDA CHAPERONIN

(Bacillus
subtilis) 		PF01430
(HSP33) 		3 VAL A 218
SER A 156
MET A 180
 None
 0.89A 5ikqA-1vzyA:
0.0		 5ikqA-1vzyA:
18.46
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.
1w52 PANCREATIC LIPASE
RELATED PROTEIN 2

(Equus caballus) 		PF00151
(Lipase)
PF01477
(PLAT) 		3 VAL X  75
SER X 273
MET X 309
 None
 0.90A 5ikqA-1w52X:
undetectable		 5ikqA-1w52X:
20.35
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.
1xkt FATTY ACID SYNTHASE

(Homo sapiens) 		PF00975
(Thioesterase) 		3 VAL A2472
SER A2340
MET A2317
 None
 0.93A 5ikqA-1xktA:
undetectable		 5ikqA-1xktA:
21.55
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.
1ygh PROTEIN
(TRANSCRIPTIONAL
ACTIVATOR GCN5)

(Saccharomyces
cerevisiae) 		PF00583
(Acetyltransf_1) 		3 VAL A 157
SER A 147
MET A 193
 None
 0.77A 5ikqA-1yghA:
undetectable		 5ikqA-1yghA:
14.07
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.
2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA

(Escherichia
coli) 		PF01262
(AlaDh_PNT_C)
PF05222
(AlaDh_PNT_N) 		3 VAL A1354
SER A1126
MET A1133
 None
 0.74A 5ikqA-2bruA:
undetectable		 5ikqA-2bruA:
19.64
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.
2d1q LUCIFERIN
4-MONOOXYGENASE

(Luciola
cruciata) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		3 VAL A 368
SER A 349
MET A 400
 None
 0.86A 5ikqA-2d1qA:
undetectable		 5ikqA-2d1qA:
22.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2eg9 ADP-RIBOSYL CYCLASE
1

(Mus musculus) 		PF02267
(Rib_hydrolayse) 		3 VAL A 246
SER A 259
MET A 268
 None
 0.87A 5ikqA-2eg9A:
undetectable		 5ikqA-2eg9A:
18.15
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.
2inp PHENOL HYDROXYLASE
COMPONENT PHO

(Pseudomonas
stutzeri) 		PF04663
(Phenol_monoox) 		3 VAL E 106
SER E  68
MET E 114
 None
 0.94A 5ikqA-2inpE:
undetectable		 5ikqA-2inpE:
13.23
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.
2iwz 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE

(Homo sapiens) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		3 VAL A  52
SER A 117
MET A 187
 None
 0.91A 5ikqA-2iwzA:
undetectable		 5ikqA-2iwzA:
20.47
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.
2j7n RNA-DEPENDENT RNA
POLYMERASE

(Neurospora
crassa) 		PF05183
(RdRP) 		3 VAL A 977
SER A 992
MET A 922
 None
 0.87A 5ikqA-2j7nA:
undetectable		 5ikqA-2j7nA:
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.
2ls8 C-TYPE LECTIN DOMAIN
FAMILY 4 MEMBER D

(Homo sapiens) 		PF00059
(Lectin_C) 		3 VAL A 116
SER A  59
MET A  39
 None
 0.86A 5ikqA-2ls8A:
undetectable		 5ikqA-2ls8A:
12.27
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.
2v5i SALMONELLA
TYPHIMURIUM DB7155
BACTERIOPHAGE DET7
TAILSPIKE

(unidentified
phage) 		PF09251
(PhageP22-tail) 		3 VAL A 379
SER A 429
MET A 479
 None
 0.88A 5ikqA-2v5iA:
undetectable		 5ikqA-2v5iA:
20.23
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.
2vz9 FATTY ACID SYNTHASE

(Sus scrofa) 		PF00107
(ADH_zinc_N)
PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08242
(Methyltransf_12)
PF08659
(KR)
PF14765
(PS-DH)
PF16197
(KAsynt_C_assoc) 		3 VAL A1636
SER A1647
MET A1601
 None
 0.93A 5ikqA-2vz9A:
undetectable		 5ikqA-2vz9A:
12.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x58 PEROXISOMAL
BIFUNCTIONAL ENZYME

(Rattus
norvegicus) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		3 VAL A 528
SER A 410
MET A 385
 None
 0.87A 5ikqA-2x58A:
undetectable		 5ikqA-2x58A:
21.37
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.
2y4o PHENYLACETATE-COENZY
ME A LIGASE

(Burkholderia
cenocepacia) 		PF00501
(AMP-binding)
PF14535
(AMP-binding_C_2) 		3 VAL A 342
SER A 412
MET A 371
 None
 0.82A 5ikqA-2y4oA:
undetectable		 5ikqA-2y4oA:
21.13
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.
2yyz SUGAR ABC
TRANSPORTER,
ATP-BINDING PROTEIN

(Thermotoga
maritima) 		PF00005
(ABC_tran)
PF08402
(TOBE_2) 		3 VAL A 190
SER A 162
MET A 172
 None
 0.91A 5ikqA-2yyzA:
undetectable		 5ikqA-2yyzA:
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.
3a74 LYSYL-TRNA
SYNTHETASE

(Geobacillus
stearothermophilus) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		3 VAL A  90
SER A 106
MET A  66
 None
 0.87A 5ikqA-3a74A:
undetectable		 5ikqA-3a74A:
21.43
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.
3bkw S-ADENOSYLMETHIONINE
DEPENDENT
METHYLTRANSFERASE

(Mesorhizobium
japonicum) 		PF08241
(Methyltransf_11) 		3 VAL A 129
SER A 112
MET A  37
 None
 0.90A 5ikqA-3bkwA:
undetectable		 5ikqA-3bkwA:
17.57
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.
3blz NTF2-LIKE PROTEIN OF
UNKNOWN FUNCTION

(Shewanella
baltica) 		PF12893
(Lumazine_bd_2) 		3 VAL A 110
SER A  38
MET A  32
 None
 0.69A 5ikqA-3blzA:
undetectable		 5ikqA-3blzA:
13.91
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.
3c8v PUTATIVE
ACETYLTRANSFERASE

(Desulfovibrio
alaskensis) 		no annotation 3 VAL A 181
SER A 157
MET A 144
 None
 0.86A 5ikqA-3c8vA:
undetectable		 5ikqA-3c8vA:
22.43
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.
3dd6 RIBONUCLEASE PH

(Bacillus
anthracis) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		3 VAL A  32
SER A 163
MET A 192
 None
 0.94A 5ikqA-3dd6A:
undetectable		 5ikqA-3dd6A:
18.89
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.
3dh4 SODIUM/GLUCOSE
COTRANSPORTER

(Vibrio
parahaemolyticus) 		PF00474
(SSF) 		3 VAL A 297
SER A  91
MET A 532
 None
GAL  A 701 (-2.5A)
None
 0.77A 5ikqA-3dh4A:
0.0		 5ikqA-3dh4A:
20.94
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.
3dmy PROTEIN FDRA

(Escherichia
coli) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding) 		3 VAL A 511
SER A 178
MET A 191
 None
 0.86A 5ikqA-3dmyA:
undetectable		 5ikqA-3dmyA:
20.84
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.
3g01 GRANZYME C

(Mus musculus) 		PF00089
(Trypsin) 		3 VAL A 230
SER A 107
MET A 111
 None
 0.94A 5ikqA-3g01A:
undetectable		 5ikqA-3g01A:
17.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hpa AMIDOHYDROLASE

(unidentified) 		PF01979
(Amidohydro_1) 		3 VAL A 393
SER A 151
MET A 224
 None
 0.82A 5ikqA-3hpaA:
undetectable		 5ikqA-3hpaA:
20.88
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.
3i44 ALDEHYDE
DEHYDROGENASE

(Bartonella
henselae) 		PF00171
(Aldedh) 		3 VAL A 325
SER A 176
MET A 154
 None
 0.85A 5ikqA-3i44A:
undetectable		 5ikqA-3i44A:
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.
3iwa FAD-DEPENDENT
PYRIDINE
NUCLEOTIDE-DISULPHID
E OXIDOREDUCTASE

(Desulfovibrio
vulgaris) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		3 VAL A 175
SER A 347
MET A 206
 None
 0.93A 5ikqA-3iwaA:
undetectable		 5ikqA-3iwaA:
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.
3jqy POLYSIALIC ACID
O-ACETYLTRANSFERASE

(Escherichia
coli) 		no annotation 3 VAL B 196
SER B 188
MET B 134
 None
 0.87A 5ikqA-3jqyB:
undetectable		 5ikqA-3jqyB:
17.41
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.
3lqa ENVELOPE
GLYCOPROTEIN GP160

(Human
immunodeficiency
virus 1) 		PF00516
(GP120) 		3 VAL G 250
SER G 483
MET G  99
 None
 0.90A 5ikqA-3lqaG:
undetectable		 5ikqA-3lqaG:
18.87
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.
3m49 TRANSKETOLASE

(Bacillus
anthracis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		3 VAL A 214
SER A 202
MET A 161
 None
 0.68A 5ikqA-3m49A:
undetectable		 5ikqA-3m49A:
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.
3m7n PROBABLE EXOSOME
COMPLEX EXONUCLEASE
1

(Archaeoglobus
fulgidus) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		3 VAL D 104
SER D 161
MET D 158
 None
 0.91A 5ikqA-3m7nD:
0.4		 5ikqA-3m7nD:
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.
3obe SUGAR PHOSPHATE
ISOMERASE/EPIMERASE

(Parabacteroides
distasonis) 		PF01261
(AP_endonuc_2) 		3 VAL A 153
SER A 103
MET A 109
 None
 0.83A 5ikqA-3obeA:
undetectable		 5ikqA-3obeA:
19.33
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.
3ouo NUCLEOPROTEIN

(Rift Valley
fever
phlebovirus) 		PF05733
(Tenui_N) 		3 VAL A 204
SER A 170
MET A 145
 None
 0.89A 5ikqA-3ouoA:
undetectable		 5ikqA-3ouoA:
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.
3pf7 BENZOYL-COA
OXYGENASE COMPONENT
B

(Azoarcus
evansii) 		no annotation 3 VAL A 158
SER A  30
MET A  38
 None
 0.92A 5ikqA-3pf7A:
undetectable		 5ikqA-3pf7A:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pty ARABINOSYLTRANSFERAS
E C

(Mycobacterium
tuberculosis) 		PF14896
(Arabino_trans_C) 		3 VAL A 885
SER A 866
MET A 863
 None
 0.85A 5ikqA-3ptyA:
undetectable		 5ikqA-3ptyA:
19.43
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.
3qbd 3-DEHYDROQUINATE
SYNTHASE

(Mycobacterium
tuberculosis) 		PF01761
(DHQ_synthase) 		3 VAL A 274
SER A 299
MET A 184
 None
 0.93A 5ikqA-3qbdA:
undetectable		 5ikqA-3qbdA:
22.24
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.
3qc2 GLYCOSYL HYDROLASE

(Bacteroides
ovatus) 		PF04041
(Glyco_hydro_130) 		3 VAL A  88
SER A 175
MET A 159
 None
 0.79A 5ikqA-3qc2A:
undetectable		 5ikqA-3qc2A:
21.55
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.
3sr6 XANTHINE
DEHYDROGENASE/OXIDAS
E

(Bos taurus) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		3 VAL C 789
SER C 805
MET C 826
 None
 0.88A 5ikqA-3sr6C:
undetectable		 5ikqA-3sr6C:
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.
3sze SERINE PROTEASE ESPP

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		3 VAL A 898
SER A 877
MET A 815
 None
 0.90A 5ikqA-3szeA:
undetectable		 5ikqA-3szeA:
19.57
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.
3vu0 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Archaeoglobus
fulgidus) 		no annotation 3 VAL A 587
SER A 467
MET A 563
 None
 0.90A 5ikqA-3vu0A:
undetectable		 5ikqA-3vu0A:
14.53
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.
3w7b FORMYLTETRAHYDROFOLA
TE DEFORMYLASE

(Thermus
thermophilus) 		PF00551
(Formyl_trans_N)
PF01842
(ACT) 		3 VAL A 261
SER A 195
MET A 250
 None
 0.82A 5ikqA-3w7bA:
undetectable		 5ikqA-3w7bA:
18.18
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.
3waj TRANSMEMBRANE
OLIGOSACCHARYL
TRANSFERASE

(Archaeoglobus
fulgidus) 		PF02516
(STT3) 		3 VAL A 771
SER A 549
MET A 678
 None
 0.83A 5ikqA-3wajA:
0.1		 5ikqA-3wajA:
19.89
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.
3wgc L-ALLO-THREONINE
ALDOLASE

(Aeromonas
jandaei) 		PF01212
(Beta_elim_lyase) 		3 VAL A  11
SER A 307
MET A 299
 None
 0.90A 5ikqA-3wgcA:
undetectable		 5ikqA-3wgcA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3x0y DSZC

(Rhodococcus
erythropolis) 		PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
PF08028
(Acyl-CoA_dh_2) 		3 VAL A 326
SER A 248
MET A 103
 None
 0.88A 5ikqA-3x0yA:
undetectable		 5ikqA-3x0yA:
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.
4c1o BETA-XYLOSIDASE

(Parageobacillus
thermoglucosidasius) 		PF03512
(Glyco_hydro_52) 		3 VAL A  37
SER A 314
MET A 331
 None
 0.93A 5ikqA-4c1oA:
undetectable		 5ikqA-4c1oA:
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.
4d8o ANKYRIN-2

(Homo sapiens) 		PF00531
(Death)
PF00791
(ZU5) 		3 VAL A1321
SER A1028
MET A1294
 None
 0.86A 5ikqA-4d8oA:
undetectable		 5ikqA-4d8oA:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f3l BMAL1B
CIRCADIAN LOCOMOTER
OUTPUT CYCLES
PROTEIN KAPUT

(Mus musculus) 		PF00010
(HLH)
PF00989
(PAS)
PF14598
(PAS_11) 		3 VAL B 162
SER B 284
MET A 114
 None
 0.88A 5ikqA-4f3lB:
undetectable		 5ikqA-4f3lB:
21.72
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.
4fnq ALPHA-GALACTOSIDASE
AGAB

(Geobacillus
stearothermophilus) 		PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N) 		3 VAL A 434
SER A 440
MET A 416
 None
 0.94A 5ikqA-4fnqA:
undetectable		 5ikqA-4fnqA:
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.
4hbs PUTATIVE HYDROLASE

(Bacteroides
ovatus) 		PF16396
(DUF5005) 		3 VAL A 266
SER A 343
MET A 340
 None
 0.92A 5ikqA-4hbsA:
undetectable		 5ikqA-4hbsA:
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.
4i70 INOSINE-ADENOSINE-GU
ANOSINE-NUCLEOSIDE
HYDROLASE

(Trypanosoma
brucei) 		PF01156
(IU_nuc_hydro) 		3 VAL A 238
SER A  24
MET A  54
 None
 0.83A 5ikqA-4i70A:
undetectable		 5ikqA-4i70A:
20.58
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.
4j4s NUCLEOCAPSID PROTEIN

(SFTS
phlebovirus) 		PF05733
(Tenui_N) 		3 VAL A 205
SER A 171
MET A 145
 None
 0.78A 5ikqA-4j4sA:
undetectable		 5ikqA-4j4sA:
16.42
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.
4j8b COATOMER ALPHA
SUBUNIT

(Schizosaccharomyces
pombe) 		PF00400
(WD40) 		3 VAL A 207
SER A 137
MET A 141
 None
 0.87A 5ikqA-4j8bA:
undetectable		 5ikqA-4j8bA:
19.01
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.
4kxb GLUTAMYL
AMINOPEPTIDASE

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		3 VAL A 448
SER A 420
MET A 436
 None
 0.86A 5ikqA-4kxbA:
undetectable		 5ikqA-4kxbA:
19.89
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.
4l52 MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 7,
TGF-BETA-ACTIVATED
KINASE 1 AND
MAP3K7-BINDING
PROTEIN 1 CHIMERA

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		3 VAL A 141
SER A 214
MET A 263
 None
 0.68A 5ikqA-4l52A:
undetectable		 5ikqA-4l52A:
19.57
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.
4lc9 GLUCOKINASE
REGULATORY PROTEIN

(Rattus
norvegicus) 		no annotation 3 VAL A 166
SER A 105
MET A 117
 None
 0.77A 5ikqA-4lc9A:
0.0		 5ikqA-4lc9A:
21.24
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.
4m46 LUCIFERASE

(Lampyris
turkestanicus) 		PF00501
(AMP-binding) 		3 VAL A 366
SER A 347
MET A 398
 None
 0.78A 5ikqA-4m46A:
undetectable		 5ikqA-4m46A:
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.
4m62 T117

(synthetic
construct) 		PF00359
(PTS_EIIA_2) 		3 VAL S  45
SER S  87
MET S   9
 None
 0.93A 5ikqA-4m62S:
undetectable		 5ikqA-4m62S:
14.18
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.
4mk0 BETA-ADRENERGIC
RECEPTOR KINASE 1

(Homo sapiens) 		PF00069
(Pkinase)
PF00169
(PH)
PF00615
(RGS) 		3 VAL A 521
SER A 514
MET A 257
 None
 0.78A 5ikqA-4mk0A:
undetectable		 5ikqA-4mk0A:
22.64
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.
4nfu SENESCENCE-ASSOCIATE
D CARBOXYLESTERASE
101

(Arabidopsis
thaliana) 		PF01764
(Lipase_3) 		3 VAL B 355
SER B 377
MET B 384
 None
 0.57A 5ikqA-4nfuB:
undetectable		 5ikqA-4nfuB:
20.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus musculus) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		3 VAL A 117
SER A 354
MET A 523
 BOG  A 604 (-3.9A)
None
None
 0.26A 5ikqA-4ph9A:
62.7		 5ikqA-4ph9A:
88.02
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.
4qi4 CELLOBIOSE
DEHYDROGENASE

(Crassicarpon
hotsonii) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C) 		3 VAL A 643
SER A 695
MET A 309
 None
None
FAD  A 901 ( 4.9A)
 0.93A 5ikqA-4qi4A:
undetectable		 5ikqA-4qi4A:
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.
4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E

(Rattus
norvegicus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		3 VAL A 789
SER A 805
MET A 826
 None
 0.91A 5ikqA-4yswA:
undetectable		 5ikqA-4yswA:
18.35
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.
5b04 PROBABLE TRANSLATION
INITIATION FACTOR
EIF-2B SUBUNIT GAMMA

(Schizosaccharomyces
pombe) 		PF00483
(NTP_transferase) 		3 VAL E 402
SER E 394
MET E 361
 None
 0.55A 5ikqA-5b04E:
undetectable		 5ikqA-5b04E:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bo6 SIA-ALPHA-2,3-GAL-BE
TA-1,4-GLCNAC-R:ALPH
A
2,8-SIALYLTRANSFERAS
E

(Homo sapiens) 		PF00777
(Glyco_transf_29) 		3 VAL A 121
SER A 115
MET A 282
 None
 0.92A 5ikqA-5bo6A:
undetectable		 5ikqA-5bo6A:
17.39
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.
5elx ATP-DEPENDENT RNA
HELICASE DBP5

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		3 VAL A 278
SER A 271
MET A 134
 None
 0.80A 5ikqA-5elxA:
undetectable		 5ikqA-5elxA:
22.35
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.
5fuu HIV-1 ENVELOPE
GLYCOPROTEIN GP160

(Human
immunodeficiency
virus 1) 		PF00516
(GP120) 		3 VAL A 254
SER A 481
MET A 100
 None
 0.67A 5ikqA-5fuuA:
undetectable		 5ikqA-5fuuA:
20.17
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.
5gyz LUCIFERIN
4-MONOOXYGENASE

(Photinus
pyralis) 		PF00501
(AMP-binding) 		3 VAL A 366
SER A 347
MET A 398
 None
7BV  A 500 (-2.3A)
None
 0.84A 5ikqA-5gyzA:
undetectable		 5ikqA-5gyzA:
23.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ikr PROSTAGLANDIN G/H
SYNTHASE 2

(Homo sapiens) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		3 VAL A 116
SER A 353
MET A 522
 None
ID8  A 601 ( 4.7A)
ID8  A 601 (-4.2A)
 0.27A 5ikqA-5ikrA:
63.6		 5ikqA-5ikrA:
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.
5kyv LUCIFERIN
4-MONOOXYGENASE

(Photinus
pyralis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		3 VAL A 366
SER A 347
MET A 398
 None
SLU  A 601 (-3.5A)
None
 0.84A 5ikqA-5kyvA:
undetectable		 5ikqA-5kyvA:
22.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ldw NADH DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR PROTEIN
7, MITOCHONDRIAL
NADH DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR PROTEIN
8, MITOCHONDRIAL

(Bos taurus) 		PF01058
(Oxidored_q6)
PF12838
(Fer4_7) 		3 VAL B 114
SER I 140
MET I 113
 None
 0.90A 5ikqA-5ldwB:
undetectable		 5ikqA-5ldwB:
14.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mtv EH DOMAIN-CONTAINING
PROTEIN 4

(Mus musculus) 		PF00350
(Dynamin_N)
PF16880
(EHD_N) 		3 VAL A 185
SER A 157
MET A 140
 None
 0.80A 5ikqA-5mtvA:
undetectable		 5ikqA-5mtvA:
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.
5mz8 ALDEHYDE
DEHYDROGENASE 21

(Physcomitrella
patens) 		PF00171
(Aldedh) 		3 VAL A 181
SER A 168
MET A 266
 None
 0.75A 5ikqA-5mz8A:
undetectable		 5ikqA-5mz8A:
21.16
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.
5n81 TYROCIDINE SYNTHASE
1

(Brevibacillus
parabrevis) 		no annotation 3 VAL A 378
SER A 210
MET A 241
 None
 0.90A 5ikqA-5n81A:
undetectable		 5ikqA-5n81A:
10.29
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.
5o7e COLH PROTEIN

(Hathewaya
histolytica) 		no annotation 3 VAL A 604
SER A 510
MET A 592
 None
 0.82A 5ikqA-5o7eA:
undetectable		 5ikqA-5o7eA:
10.93
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.
5oe7 UBIQUITIN
THIOESTERASE OTULIN

(Homo sapiens) 		PF16218
(Peptidase_C101) 		3 VAL A 304
SER A 308
MET A 108
 None
 0.86A 5ikqA-5oe7A:
undetectable		 5ikqA-5oe7A:
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.
5of4 GENERAL
TRANSCRIPTION FACTOR
IIH SUBUNIT 2

(Homo sapiens) 		PF04056
(Ssl1) 		3 VAL E  92
SER E 121
MET E  58
 None
 0.82A 5ikqA-5of4E:
undetectable		 5ikqA-5of4E:
22.18
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.
5oj3 -

(-) 		no annotation 3 VAL A 357
SER A 389
MET A 386
 None
 0.72A 5ikqA-5oj3A:
undetectable		 5ikqA-5oj3A:
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.
5opt 40S RIBOSOMAL
PROTEIN S33,
PUTATIVE
40S RIBOSOMAL
PROTEIN S5, PUTATIVE

(Trypanosoma
cruzi) 		no annotation 3 VAL U  49
SER O  25
MET O 130
 None
None
A  E2148 ( 4.7A)
 0.86A 5ikqA-5optU:
undetectable		 5ikqA-5optU:
14.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5um8 GLYCOPROTEIN GP120

(Human
immunodeficiency
virus 1) 		PF00516
(GP120) 		3 VAL G 254
SER G 481
MET G 100
 None
 0.92A 5ikqA-5um8G:
undetectable		 5ikqA-5um8G:
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.
5usw DIHYDROPTEROATE
SYNTHASE

(Aliivibrio
fischeri) 		PF00809
(Pterin_bind) 		3 VAL A 230
SER A 237
MET A 218
 None
 0.82A 5ikqA-5uswA:
undetectable		 5ikqA-5uswA:
20.11
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.
5uuu BETA-ADRENERGIC
RECEPTOR KINASE 1

(Homo sapiens) 		PF00069
(Pkinase)
PF00615
(RGS) 		3 VAL A 521
SER A 514
MET A 257
 None
 0.81A 5ikqA-5uuuA:
undetectable		 5ikqA-5uuuA:
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.
5y8p PROBABLE
3-HYDROXYISOBUTYRATE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		no annotation 3 VAL A 102
SER A  92
MET A 133
 None
 0.49A 5ikqA-5y8pA:
undetectable		 5ikqA-5y8pA:
9.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yx3 CHALCONE-FLAVONONE
ISOMERASE FAMILY
PROTEIN

(Deschampsia
antarctica) 		no annotation 3 VAL A   7
SER A 196
MET A  35
 None
 0.74A 5ikqA-5yx3A:
undetectable		 5ikqA-5yx3A:
9.94
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.
5zvs VP2

(Aquareovirus C) 		no annotation 3 VAL 2 374
SER 2 289
MET 2 794
 None
 0.87A 5ikqA-5zvs2:
undetectable		 5ikqA-5zvs2:
10.06
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.
6btm ALTERNATIVE COMPLEX
III SUBUNIT C

(Flavobacterium
johnsoniae) 		no annotation 3 VAL C 311
SER C 270
MET C 300
 None
 0.82A 5ikqA-6btmC:
undetectable		 5ikqA-6btmC:
9.19
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.
6eic MYCOBACTERIUM
TUBERCULOSIS
MONOGLYCERIDE LIPASE

(Mycobacterium
tuberculosis) 		no annotation 3 VAL C  49
SER C 133
MET C 130
 None
 0.84A 5ikqA-6eicC:
undetectable		 5ikqA-6eicC:
10.45
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.
6epi ZETA_1 TOXIN

(Neisseria
gonorrhoeae) 		no annotation 3 VAL B 161
SER B 117
MET B 123
 None
 0.83A 5ikqA-6epiB:
undetectable		 5ikqA-6epiB:
9.73
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.
6f0k POLYSULPHIDE
REDUCTASE NRFD

(Rhodothermus
marinus) 		no annotation 3 VAL C 319
SER C 278
MET C 308
 None
 0.86A 5ikqA-6f0kC:
0.0		 5ikqA-6f0kC:
8.86
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.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Cyanidioschyzon
merolae) 		no annotation 3 VAL B 588
SER B 344
MET B 350
 None
CLA  B1222 (-3.3A)
None
 0.80A 5ikqA-6fosB:
0.0		 5ikqA-6fosB:
9.86