SIMILAR PATTERNS OF AMINO ACIDS FOR 5IFU_B_GBMB801

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.
1au7 PROTEIN PIT-1

(Rattus
norvegicus) 		PF00046
(Homeobox)
PF00157
(Pou) 		5 ILE A  66
LEU A  63
THR A  46
ILE A  47
GLY A  31
 None
 0.97A 5ifuB-1au7A:
undetectable		 5ifuB-1au7A:
15.30
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.
1eov ASPARTYL-TRNA
SYNTHETASE

(Saccharomyces
cerevisiae) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		5 ILE A 137
LEU A 130
ARG A 169
ILE A 191
GLY A 170
 None
 1.09A 5ifuB-1eovA:
7.7		 5ifuB-1eovA:
23.34
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.
1fuj PR3

(Homo sapiens) 		PF00089
(Trypsin) 		5 ILE A 190
THR A 229
ARG A 230
ILE A 212
GLY A 211
 None
 1.25A 5ifuB-1fujA:
undetectable		 5ifuB-1fujA:
17.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hc7 PROLYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		5 TYR A  18
ILE A  37
ARG A 264
ILE A 266
GLY A 267
 None
 1.31A 5ifuB-1hc7A:
41.5		 5ifuB-1hc7A:
42.50
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.
1nnh ASPARAGINYL-TRNA
SYNTHETASE-RELATED
PEPTIDE

(Pyrococcus
furiosus) 		PF00152
(tRNA-synt_2) 		5 ILE A  21
LEU A  22
GLU A 266
THR A 115
GLY A 264
 None
 1.19A 5ifuB-1nnhA:
7.0		 5ifuB-1nnhA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q5q PROTEASOME
ALPHA-TYPE SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		5 ILE A 122
LEU A  74
THR A 106
ILE A 110
GLY A 108
 None
 1.48A 5ifuB-1q5qA:
undetectable		 5ifuB-1q5qA:
17.91
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.
1qyr HIGH LEVEL
KASUGAMYCIN
RESISTANCE PROTEIN

(Escherichia
coli) 		PF00398
(RrnaAD) 		5 ILE A  87
LEU A  85
GLU A  43
THR A  52
GLY A  47
 None
 1.18A 5ifuB-1qyrA:
undetectable		 5ifuB-1qyrA:
18.93
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.
1uc4 DIOL DEHYDRASE BETA
SUBUNIT

(Klebsiella
oxytoca) 		PF02288
(Dehydratase_MU) 		5 ILE B 132
THR B 164
ARG B 166
ILE B 168
GLY B 169
 None
 1.29A 5ifuB-1uc4B:
3.3		 5ifuB-1uc4B:
17.82
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.
1up4 6-PHOSPHO-BETA-GLUCO
SIDASE

(Thermotoga
maritima) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		5 ILE A 237
LEU A 214
GLU A 171
ARG A 170
ILE A 172
 None
 1.46A 5ifuB-1up4A:
undetectable		 5ifuB-1up4A:
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.
1vb4 COAT PROTEIN

(Sesbania mosaic
virus) 		PF00729
(Viral_coat) 		5 ILE A 256
TYR A 254
LEU A  77
GLU A  81
GLY A 110
 None
 1.35A 5ifuB-1vb4A:
undetectable		 5ifuB-1vb4A:
19.10
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.
1wu2 MOLYBDOPTERIN
BIOSYNTHESIS MOEA
PROTEIN

(Pyrococcus
horikoshii) 		PF00994
(MoCF_biosynth)
PF03453
(MoeA_N)
PF03454
(MoeA_C) 		5 LEU A 376
GLU A 389
ARG A 386
ILE A 336
GLY A 384
 None
 1.35A 5ifuB-1wu2A:
2.8		 5ifuB-1wu2A:
20.72
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.
1xma PREDICTED
TRANSCRIPTIONAL
REGULATOR

(Ruminiclostridium
thermocellum) 		PF03551
(PadR) 		5 ILE A  61
LEU A  19
ARG A  74
ILE A  29
GLY A  26
 None
None
None
UNX  A 403 (-4.5A)
None
 1.43A 5ifuB-1xmaA:
undetectable		 5ifuB-1xmaA:
16.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yq2 BETA-GALACTOSIDASE

(Arthrobacter
sp. C2-2) 		PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		5 LEU A 519
THR A 489
ARG A 494
ILE A 492
GLY A 493
 None
 1.29A 5ifuB-1yq2A:
undetectable		 5ifuB-1yq2A:
17.64
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.
1yzg ADP-RIBOSYLATION
FACTOR-LIKE 8

(Homo sapiens) 		PF00025
(Arf) 		5 TYR A  81
ILE A  87
LEU A  89
ARG A 108
ILE A  67
 None
 0.99A 5ifuB-1yzgA:
undetectable		 5ifuB-1yzgA:
16.31
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.
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis) 		PF01979
(Amidohydro_1) 		5 LEU A   9
GLU A  63
THR A   7
ILE A  42
GLY A 409
 None
 1.32A 5ifuB-2bb0A:
undetectable		 5ifuB-2bb0A:
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.
2etv IRON(III) ABC
TRANSPORTER,
PERIPLASMIC
IRON-BINDING
PROTEIN, PUTATIVE

(Thermotoga
maritima) 		PF01497
(Peripla_BP_2) 		5 TYR A 193
TYR A 268
LEU A 348
ILE A 249
GLY A 195
 None
 1.28A 5ifuB-2etvA:
undetectable		 5ifuB-2etvA:
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.
2gv9 DNA POLYMERASE

(Human
alphaherpesvirus
1) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 ILE A 726
LEU A 731
ARG A 842
ILE A 840
GLY A 841
 None
 1.10A 5ifuB-2gv9A:
undetectable		 5ifuB-2gv9A:
17.40
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.
2gv9 DNA POLYMERASE

(Human
alphaherpesvirus
1) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 ILE A 726
LEU A 731
THR A 836
ILE A 840
GLY A 841
 None
 1.16A 5ifuB-2gv9A:
undetectable		 5ifuB-2gv9A:
17.40
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.
2o55 PUTATIVE
GLYCEROPHOSPHODIESTE
R PHOSPHODIESTERASE

(Galdieria
sulphuraria) 		PF03009
(GDPD) 		5 LEU A 100
THR A  44
ARG A  15
ILE A  42
GLY A  16
 None
None
SO4  A   1 (-3.8A)
None
None
 1.04A 5ifuB-2o55A:
undetectable		 5ifuB-2o55A:
21.76
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.
2qpt EH DOMAIN-CONTAINING
PROTEIN-2

(Mus musculus) 		PF00350
(Dynamin_N)
PF12763
(EF-hand_4)
PF16880
(EHD_N) 		5 ILE A 185
GLU A 211
ARG A 208
ILE A 204
GLY A 205
 None
 1.39A 5ifuB-2qptA:
2.2		 5ifuB-2qptA:
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.
2r7e COAGULATION FACTOR
VIII

(Homo sapiens) 		PF00754
(F5_F8_type_C)
PF07731
(Cu-oxidase_2) 		5 ILE B2071
LEU B2151
THR B2086
ARG B2052
ILE B2084
 None
 1.41A 5ifuB-2r7eB:
undetectable		 5ifuB-2r7eB:
19.32
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.
2r8w AGR_C_1641P

(Agrobacterium
fabrum) 		PF00701
(DHDPS) 		5 TYR A 240
ILE A 165
LEU A 181
ILE A 220
GLY A 221
 None
 1.23A 5ifuB-2r8wA:
undetectable		 5ifuB-2r8wA:
21.66
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.
2vpw THIOSULFATE
REDUCTASE

(Thermus
thermophilus) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 ILE A 269
TYR A 274
LEU A 353
ILE A 590
GLY A 285
 None
 1.41A 5ifuB-2vpwA:
undetectable		 5ifuB-2vpwA:
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.
2w45 ALKALINE EXONUCLEASE

(Human
gammaherpesvirus
4) 		PF01771
(Herpes_alk_exo) 		5 TYR A 368
ILE A 191
LEU A 122
THR A 110
ARG A 111
 None
 1.48A 5ifuB-2w45A:
undetectable		 5ifuB-2w45A:
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.
2wlp COAT PROTEIN

(Sesbania mosaic
virus) 		PF00729
(Viral_coat) 		5 ILE A 256
TYR A 254
LEU A  77
GLU A  81
GLY A 110
 None
 1.27A 5ifuB-2wlpA:
undetectable		 5ifuB-2wlpA:
18.24
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.
2xz8 PEPTIDOGLYCAN-RECOGN
ITION PROTEIN LF

(Drosophila
melanogaster) 		no annotation 5 TYR A 299
LEU A 284
THR A 268
ILE A 333
GLY A 334
 None
 1.15A 5ifuB-2xz8A:
undetectable		 5ifuB-2xz8A:
15.22
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.
2z2s RPOE, ECF SIGE

(Rhodobacter
sphaeroides) 		PF04542
(Sigma70_r2)
PF04545
(Sigma70_r4) 		5 ILE A 165
LEU A 162
ARG A 132
ILE A 130
GLY A 127
 None
 1.43A 5ifuB-2z2sA:
undetectable		 5ifuB-2z2sA:
15.22
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.
2z8e GALACTO-N-BIOSE/LACT
O-N-BIOSE I
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Bifidobacterium
longum) 		PF01547
(SBP_bac_1) 		5 TYR A 160
ILE A 172
LEU A 170
ILE A 271
GLY A 272
 None
 0.79A 5ifuB-2z8eA:
undetectable		 5ifuB-2z8eA:
22.26
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.
2zf5 GLYCEROL KINASE

(Thermococcus
kodakarensis) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 ILE O 394
LEU O 397
THR O 381
ILE O 265
GLY O 297
 None
 1.38A 5ifuB-2zf5O:
undetectable		 5ifuB-2zf5O:
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.
3e2s PROLINE
DEHYDROGENASE

(Escherichia
coli) 		PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		5 LEU A 353
THR A 357
ARG A 361
ILE A 367
GLY A 398
 None
 1.45A 5ifuB-3e2sA:
undetectable		 5ifuB-3e2sA:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fdu PUTATIVE ENOYL-COA
HYDRATASE/ISOMERASE

(Acinetobacter
baumannii) 		PF00378
(ECH_1) 		5 TYR A  40
LEU A  97
GLU A 150
ILE A 123
GLY A 120
 None
 1.40A 5ifuB-3fduA:
undetectable		 5ifuB-3fduA:
19.37
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.
3huu TRANSCRIPTION
REGULATOR LIKE
PROTEIN

(Staphylococcus
haemolyticus) 		PF13377
(Peripla_BP_3) 		5 ILE A  96
LEU A  69
THR A  61
ARG A  59
GLY A  24
 None
 1.26A 5ifuB-3huuA:
2.9		 5ifuB-3huuA:
19.65
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.
3k8k ALPHA-AMYLASE, SUSG

(Bacteroides
thetaiotaomicron) 		PF00128
(Alpha-amylase) 		5 TYR A 150
LEU A 385
ARG A 380
ILE A 378
GLY A 376
 None
None
None
None
EDO  A 911 ( 4.5A)
 1.29A 5ifuB-3k8kA:
undetectable		 5ifuB-3k8kA:
20.57
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.
3kfu ASPARTYL/GLUTAMYL-TR
NA(ASN/GLN)
AMIDOTRANSFERASE
SUBUNIT B
GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Thermus
thermophilus) 		PF01425
(Amidase)
PF02637
(GatB_Yqey)
PF02934
(GatB_N) 		5 TYR E  90
TYR E 314
LEU E  83
ILE E 191
GLY F  46
 None
 1.35A 5ifuB-3kfuE:
undetectable		 5ifuB-3kfuE:
19.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kls EXOTOXIN 1

(Staphylococcus
aureus) 		PF02876
(Stap_Strp_tox_C)
PF09199
(SSL_OB) 		5 ILE X 155
LEU X 165
ARG X 222
ILE X 224
GLY X 223
 None
 1.23A 5ifuB-3klsX:
undetectable		 5ifuB-3klsX:
18.32
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.
3mkq COATOMER
BETA'-SUBUNIT

(Saccharomyces
cerevisiae) 		PF00400
(WD40)
PF04053
(Coatomer_WDAD) 		5 LEU A 639
THR A 610
ARG A 612
ILE A 615
GLY A 613
 None
 1.49A 5ifuB-3mkqA:
undetectable		 5ifuB-3mkqA:
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.
3ne7 ACETYLTRANSFERASE

(Thermoplasma
acidophilum) 		PF00583
(Acetyltransf_1) 		5 ILE A  17
LEU A  16
GLU A  53
ARG A  56
ILE A  54
 None
None
UNL  A 166 ( 3.6A)
UNL  A 166 ( 3.1A)
None
 1.45A 5ifuB-3ne7A:
undetectable		 5ifuB-3ne7A:
15.98
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.
3odn DALLY-LIKE PROTEIN

(Drosophila
melanogaster) 		PF01153
(Glypican) 		5 ILE A 160
LEU A 512
THR A 270
ARG A 271
GLY A 274
 None
 1.19A 5ifuB-3odnA:
undetectable		 5ifuB-3odnA:
19.29
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.
3odn DALLY-LIKE PROTEIN

(Drosophila
melanogaster) 		PF01153
(Glypican) 		5 ILE A 515
LEU A 512
THR A 270
ARG A 271
GLY A 274
 None
 1.43A 5ifuB-3odnA:
undetectable		 5ifuB-3odnA:
19.29
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.
3p48 DEOXYURIDINE
5'-TRIPHOSPHATE
NUCLEOTIDOHYDROLASE

(Saccharomyces
cerevisiae) 		PF00692
(dUTPase) 		5 TYR A  62
ILE A 116
THR A  79
ILE A  65
GLY A  82
 None
 1.28A 5ifuB-3p48A:
undetectable		 5ifuB-3p48A:
14.37
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.
3qw2 MYO-INOSITOL-1-PHOSP
HATE SYNTHASE (INO1)

(Archaeoglobus
fulgidus) 		PF01658
(Inos-1-P_synth)
PF07994
(NAD_binding_5) 		5 TYR A 185
GLU A 117
THR A 115
ILE A  58
GLY A  98
 NAD  A 396 (-4.3A)
None
None
NAD  A 396 (-4.5A)
None
 1.23A 5ifuB-3qw2A:
undetectable		 5ifuB-3qw2A:
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.
3wfo POLY A POLYMERASE

(Aquifex
aeolicus) 		PF01743
(PolyA_pol)
PF01966
(HD)
PF12627
(PolyA_pol_RNAbd) 		5 ILE A 252
GLU A 255
ARG A 258
ILE A 256
GLY A 257
 None
 1.22A 5ifuB-3wfoA:
undetectable		 5ifuB-3wfoA:
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.
3zgx SEGREGATION AND
CONDENSATION PROTEIN
A

(Bacillus
subtilis) 		PF02616
(SMC_ScpA) 		5 TYR C  44
ILE C  22
LEU C  19
GLU C  52
ARG C  49
 None
 1.43A 5ifuB-3zgxC:
undetectable		 5ifuB-3zgxC:
10.83
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.
3zjc GTPASE IMAP FAMILY
MEMBER 7

(Homo sapiens) 		PF04548
(AIG1) 		5 ILE A 156
TYR A 104
LEU A  97
THR A 111
ILE A 115
 None
 1.17A 5ifuB-3zjcA:
2.4		 5ifuB-3zjcA:
20.96
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.
3zla NUCLEOPROTEIN

(Bunyamwera
orthobunyavirus) 		PF00952
(Bunya_nucleocap) 		5 ILE A  41
GLU A  48
ARG A  47
ILE A  49
GLY A  46
 None
None
U  I  18 ( 4.2A)
None
U  I  18 ( 4.7A)
 1.22A 5ifuB-3zlaA:
undetectable		 5ifuB-3zlaA:
17.97
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.
4b4y NEUROGLOBIN

(Symsagittifera
roscoffensis) 		PF00042
(Globin) 		5 TYR A  28
ILE A 120
LEU A 116
ILE A  75
GLY A  76
 None
None
HEM  A1155 ( 4.3A)
HEM  A1155 ( 3.9A)
None
 1.29A 5ifuB-4b4yA:
undetectable		 5ifuB-4b4yA:
15.70
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.
4dav SUGAR FERMENTATION
STIMULATION PROTEIN
HOMOLOG

(Pyrococcus
furiosus) 		PF03749
(SfsA) 		5 TYR A 144
ILE A 171
LEU A 159
ARG A 151
GLY A 152
 None
 1.34A 5ifuB-4davA:
undetectable		 5ifuB-4davA:
20.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f4o HAPTOGLOBIN

(Sus scrofa) 		PF00089
(Trypsin) 		5 TYR C 330
LEU C 242
THR C 291
ILE C 103
GLY C 224
 None
 1.33A 5ifuB-4f4oC:
undetectable		 5ifuB-4f4oC:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gc5 DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL

(Mus musculus) 		PF00398
(RrnaAD) 		5 ILE A 107
LEU A 105
GLU A  61
THR A  70
GLY A  65
 None
 1.18A 5ifuB-4gc5A:
undetectable		 5ifuB-4gc5A:
20.59
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.
4i70 INOSINE-ADENOSINE-GU
ANOSINE-NUCLEOSIDE
HYDROLASE

(Trypanosoma
brucei) 		PF01156
(IU_nuc_hydro) 		5 LEU A 198
THR A 294
ARG A 293
ILE A 187
GLY A 292
 None
 1.30A 5ifuB-4i70A:
undetectable		 5ifuB-4i70A:
22.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ihq FLAI ATPASE

(Sulfolobus
acidocaldarius) 		PF00437
(T2SSE) 		5 ILE A 142
LEU A 133
THR A 162
ARG A 161
ILE A 164
 None
 1.37A 5ifuB-4ihqA:
2.1		 5ifuB-4ihqA:
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.
4jxj RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Rickettsia
bellii) 		PF00398
(RrnaAD) 		5 ILE A  93
LEU A  91
GLU A  48
THR A  57
GLY A  52
 None
 1.14A 5ifuB-4jxjA:
2.1		 5ifuB-4jxjA:
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.
4nen INTEGRIN ALPHA-X

(Homo sapiens) 		PF00092
(VWA)
PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 TYR A  25
ILE A  60
LEU A  62
THR A 116
GLY A 111
 None
 1.09A 5ifuB-4nenA:
2.8		 5ifuB-4nenA:
18.84
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.
4qre METHIONYL-TRNA
SYNTHETASE

(Staphylococcus
aureus) 		PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g) 		5 ILE A 482
LEU A 486
THR A 371
ARG A 370
ILE A 372
 None
 1.16A 5ifuB-4qreA:
2.1		 5ifuB-4qreA:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wj3 ASPARTYL/GLUTAMYL-TR
NA(ASN/GLN)
AMIDOTRANSFERASE
SUBUNIT B
GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Pseudomonas
aeruginosa) 		PF01425
(Amidase)
PF02637
(GatB_Yqey)
PF02934
(GatB_N) 		5 TYR A 101
TYR A 327
LEU A  94
ILE A 202
GLY B  46
 None
 1.28A 5ifuB-4wj3A:
undetectable		 5ifuB-4wj3A:
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.
4wjg HAPTOGLOBIN

(Homo sapiens) 		no annotation 5 TYR C 385
LEU C 297
THR C 346
ILE C 158
GLY C 279
 None
 1.33A 5ifuB-4wjgC:
undetectable		 5ifuB-4wjgC:
18.09
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.
4xav GLIOMEDIN

(Mus musculus) 		PF02191
(OLF) 		5 ILE A 478
LEU A 479
THR A 462
ILE A 460
GLY A 498
 None
 1.35A 5ifuB-4xavA:
undetectable		 5ifuB-4xavA:
19.88
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.
4xyd NITRIC-OXIDE
REDUCTASE SUBUNIT B

(Roseobacter
denitrificans) 		PF00115
(COX1) 		5 ILE A 321
LEU A 315
THR A 388
ILE A 330
GLY A 391
 None
 1.43A 5ifuB-4xydA:
undetectable		 5ifuB-4xydA:
19.93
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.
4y07 NEDD4-LIKE E3
UBIQUITIN-PROTEIN
LIGASE WWP2

(Homo sapiens) 		PF00632
(HECT) 		5 ILE A 591
LEU A 578
ARG A 606
ILE A 608
GLY A 609
 None
 1.37A 5ifuB-4y07A:
undetectable		 5ifuB-4y07A:
20.75
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.
4y5j MINI SPINDLES TOG3

(Drosophila
melanogaster) 		no annotation 5 ILE A 620
LEU A 616
THR A 637
ARG A 636
ILE A 638
 None
 1.30A 5ifuB-4y5jA:
undetectable		 5ifuB-4y5jA:
21.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydq PROLINE--TRNA LIGASE

(Plasmodium
falciparum) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		7 TYR A 266
ILE A 276
LEU A 287
THR A 513
ARG A 514
ILE A 516
GLY A 517
 None
None
None
None
ANP  A 801 (-3.2A)
None
None
 0.28A 5ifuB-4ydqA:
48.0		 5ifuB-4ydqA:
97.63
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.
4yr1 ALKALINE PHOSPHATASE

(Escherichia
coli) 		PF00245
(Alk_phosphatase) 		5 ILE A 419
TYR A  84
LEU A 438
ILE A  49
GLY A  50
 None
 1.37A 5ifuB-4yr1A:
undetectable		 5ifuB-4yr1A:
22.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z6k ALCOHOL
DEHYDROGENASE

(Moraxella sp.
TAE123) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ILE A 334
TYR A 336
LEU A 313
ILE A  58
GLY A 118
 None
 1.46A 5ifuB-4z6kA:
2.1		 5ifuB-4z6kA:
20.15
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.
5b04 PROBABLE TRANSLATION
INITIATION FACTOR
EIF-2B SUBUNIT GAMMA

(Schizosaccharomyces
pombe) 		PF00483
(NTP_transferase) 		5 ILE E 267
TYR E 269
LEU E 266
ILE E 196
GLY E 197
 None
 1.26A 5ifuB-5b04E:
undetectable		 5ifuB-5b04E:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b1q U14 PROTEIN

(Human
betaherpesvirus
6B) 		PF04637
(Herpes_pp85) 		5 ILE A 311
GLU A 263
ARG A  83
ILE A  88
GLY A  85
 None
 1.31A 5ifuB-5b1qA:
undetectable		 5ifuB-5b1qA:
20.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ci7 SERINE/THREONINE-PRO
TEIN KINASE ULK1

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A 215
GLU A 246
THR A 247
ARG A 245
ILE A 243
 None
 1.14A 5ifuB-5ci7A:
undetectable		 5ifuB-5ci7A:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5exr DNA POLYMERASE ALPHA
CATALYTIC SUBUNIT

(Homo sapiens) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1)
PF08996
(zf-DNA_Pol) 		5 ILE C 639
LEU C 644
THR C 685
ARG C 664
ILE C 662
 None
 1.35A 5ifuB-5exrC:
undetectable		 5ifuB-5exrC:
18.40
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.
5f5w GLYCINE--TRNA LIGASE
ALPHA SUBUNIT

(Aquifex
aeolicus) 		PF02091
(tRNA-synt_2e) 		5 TYR A  92
LEU A  96
ARG A 163
ILE A 164
GLY A 160
 None
None
G5A  A 300 (-4.0A)
None
G5A  A 300 (-3.3A)
 1.35A 5ifuB-5f5wA:
5.9		 5ifuB-5f5wA:
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.
5hcc COMPLEMENT C5

(Homo sapiens) 		PF01835
(A2M_N)
PF07703
(A2M_N_2) 		5 ILE B 128
LEU B 161
THR B 159
ARG B 157
ILE B 183
 None
 1.37A 5ifuB-5hccB:
undetectable		 5ifuB-5hccB:
22.27
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.
5hd2 PARASPORAL CRYSTAL
PROTEIN

(Bacillus
thuringiensis) 		PF03318
(ETX_MTX2) 		5 TYR A 259
ILE A 294
TYR A 280
GLU A 299
GLY A 124
 None
 1.38A 5ifuB-5hd2A:
undetectable		 5ifuB-5hd2A:
22.44
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.
5jb3 30S RIBOSOMAL
PROTEIN S15

(Pyrococcus
abyssi) 		PF00312
(Ribosomal_S15)
PF08069
(Ribosomal_S13_N) 		5 ILE Q  81
LEU Q  82
THR Q  47
ILE Q  50
GLY Q  51
 None
None
C  2 704 ( 2.9A)
None
U  2 703 ( 3.0A)
 0.97A 5ifuB-5jb3Q:
undetectable		 5ifuB-5jb3Q:
14.82
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.
5joz NON-REDUCING END
ALPHA-L-ARABINOFURAN
OSIDASE BOGH43B

(Bacteroides
ovatus) 		PF04616
(Glyco_hydro_43) 		5 TYR A  64
LEU A  50
THR A 292
ARG A 279
ILE A  31
 None
 1.45A 5ifuB-5jozA:
undetectable		 5ifuB-5jozA:
21.44
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.
5l22 ABC TRANSPORTER
(HLYB SUBFAMILY)

(Aquifex
aeolicus) 		no annotation 5 ILE B 332
LEU B 334
THR B 378
ARG B 377
GLY B 381
 None
None
None
ADP  B 601 ( 4.5A)
None
 1.35A 5ifuB-5l22B:
undetectable		 5ifuB-5l22B:
20.34
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.
5m5x DNA-DIRECTED RNA
POLYMERASE I SUBUNIT
RPA135

(Saccharomyces
cerevisiae) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF06883
(RNA_pol_Rpa2_4) 		6 ILE B 412
TYR B 409
LEU B 413
ARG B 134
ILE B 457
GLY B 458
 None
 1.25A 5ifuB-5m5xB:
undetectable		 5ifuB-5m5xB:
17.03
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.
5m99 ALPHA-AMYLASE

(Thermotoga
petrophila) 		PF00128
(Alpha-amylase) 		5 TYR B  33
ILE B 433
TYR B 336
LEU B 429
GLU B 302
 None
 1.33A 5ifuB-5m99B:
undetectable		 5ifuB-5m99B:
20.15
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.
5mmd METALLO-BETA-LACTAMA
SE 1

(Acinetobacter
baumannii) 		PF00753
(Lactamase_B) 		5 LEU E 146
GLU E 119
THR E 122
ILE E 125
GLY E 124
 None
 1.18A 5ifuB-5mmdE:
undetectable		 5ifuB-5mmdE:
17.91
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.
5mu5 UNCHARACTERIZED
PROTEIN

(Magnetospirillum
magneticum) 		no annotation 5 ILE A 277
LEU A 409
ARG A 482
ILE A 480
GLY A 477
 None
None
EDO  A 709 (-3.5A)
None
None
 1.31A 5ifuB-5mu5A:
undetectable		 5ifuB-5mu5A:
19.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5szi RAS-RELATED PROTEIN
RAB-8A

(Homo sapiens) 		PF00071
(Ras) 		5 TYR A  78
LEU A  12
THR A  64
ILE A  43
GLY A  42
 None
 1.42A 5ifuB-5sziA:
3.4		 5ifuB-5sziA:
17.98
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.
5udb MINICHROMOSOME
MAINTENANCE PROTEIN
5

(Saccharomyces
cerevisiae) 		PF00493
(MCM)
PF14551
(MCM_N)
PF17207
(MCM_OB) 		5 TYR 5 281
ILE 5 138
LEU 5 139
GLU 5  91
ILE 5  94
 None
 1.41A 5ifuB-5udb5:
undetectable		 5ifuB-5udb5:
21.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo sapiens) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		7 TYR A1028
ILE A1038
LEU A1049
THR A1277
ARG A1278
ILE A1280
GLY A1281
 None
None
None
None
91Y  A1601 (-3.4A)
None
None
 0.55A 5ifuB-5vadA:
43.3		 5ifuB-5vadA:
50.87
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.
5x55 PROBABLE URACIL-DNA
GLYCOSYLASE

(Acanthamoeba
polyphaga
mimivirus) 		PF03167
(UDG) 		5 ILE A 247
LEU A 248
THR A  99
ARG A  96
ILE A  98
 None
 1.49A 5ifuB-5x55A:
undetectable		 5ifuB-5x55A:
20.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5xii PROLYL-TRNA
SYNTHETASE (PRORS)

(Toxoplasma
gondii) 		no annotation 5 TYR A 346
ILE A 356
THR A 593
ARG A 594
GLY A 597
 None
None
None
ANP  A1001 (-3.7A)
None
 0.47A 5ifuB-5xiiA:
46.4		 5ifuB-5xiiA:
53.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5xil PUTATIVE PROLYL-TRNA
SYNTHETASE

(Leishmania
major) 		no annotation 6 TYR A 267
ILE A 277
THR A 515
ARG A 516
ILE A 518
GLY A 519
 ACT  A1003 (-4.1A)
None
None
None
None
None
 0.41A 5ifuB-5xilA:
46.7		 5ifuB-5xilA:
53.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5xio PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE)

(Cryptosporidium
parvum) 		no annotation 7 TYR A 238
ILE A 248
LEU A 259
THR A 485
ARG A 486
ILE A 488
GLY A 489
 None
None
None
None
ANP  A 803 (-3.5A)
None
None
 0.42A 5ifuB-5xioA:
45.2		 5ifuB-5xioA:
58.43
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.
5xmc E3 UBIQUITIN-PROTEIN
LIGASE ITCHY

(Mus musculus) 		PF00397
(WW)
PF00632
(HECT) 		5 ILE A 585
LEU A 572
ARG A 600
ILE A 602
GLY A 603
 None
 1.05A 5ifuB-5xmcA:
undetectable		 5ifuB-5xmcA:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cey BIFUNCTIONAL AAC/APH

(Staphylococcus
aureus) 		no annotation 5 ILE A 417
TYR A 287
LEU A 282
ARG A 300
ILE A 302
 None
 1.18A 5ifuB-6ceyA:
undetectable		 5ifuB-6ceyA:
10.68