SIMILAR PATTERNS OF AMINO ACIDS FOR 3I45_A_NIOA500_1

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.
1hw2 FATTY ACID
METABOLISM REGULATOR
PROTEIN


(Escherichia
coli)
PF00392
(GntR)
PF07840
(FadR_C)
4 PHE A 192
LEU A 128
PHE A 149
LEU A 152
None
0.97A 3i45A-1hw2A:
undetectable
3i45A-1hw2A:
21.79
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.
1la2 MYO-INOSITOL-1-PHOSP
HATE SYNTHASE


(Saccharomyces
cerevisiae)
PF01658
(Inos-1-P_synth)
PF07994
(NAD_binding_5)
4 SER A  84
LEU A  81
TYR A 105
LEU A 450
None
0.93A 3i45A-1la2A:
5.0
3i45A-1la2A:
21.01
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.
1pxy FIMBRIN-LIKE PROTEIN

(Arabidopsis
thaliana)
PF00307
(CH)
4 SER A 435
LEU A 428
PHE A 496
LEU A 493
None
0.74A 3i45A-1pxyA:
undetectable
3i45A-1pxyA:
20.71
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.
1skx ORPHAN NUCLEAR
RECEPTOR PXR


(Homo sapiens)
PF00104
(Hormone_recep)
4 PHE A 169
LEU A 215
TYR A 306
LEU A 174
None
1.02A 3i45A-1skxA:
undetectable
3i45A-1skxA:
18.88
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.
1slm STROMELYSIN-1

(Homo sapiens)
PF00413
(Peptidase_M10)
PF01471
(PG_binding_1)
4 LEU A 222
TYR A 220
PHE A  53
LEU A  54
None
1.01A 3i45A-1slmA:
2.4
3i45A-1slmA:
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.
1sp8 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE


(Zea mays)
PF00903
(Glyoxalase)
4 PHE A  99
SER A  94
LEU A 214
PHE A 217
None
0.99A 3i45A-1sp8A:
undetectable
3i45A-1sp8A:
23.57
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.
1t77 LIPOPOLYSACCHARIDE-R
ESPONSIVE AND
BEIGE-LIKE ANCHOR
PROTEIN


(Homo sapiens)
PF02138
(Beach)
PF14844
(PH_BEACH)
4 PHE A2142
LEU A2205
PHE A2189
LEU A2191
None
1.01A 3i45A-1t77A:
undetectable
3i45A-1t77A:
23.03
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.
1ut9 CELLULOSE
1,4-BETA-CELLOBIOSID
ASE


(Ruminiclostridium
thermocellum)
PF00759
(Glyco_hydro_9)
PF02927
(CelD_N)
4 SER A 587
LEU A 584
TYR A 565
LEU A 627
None
1.00A 3i45A-1ut9A:
undetectable
3i45A-1ut9A:
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.
1vk1 CONSERVED
HYPOTHETICAL PROTEIN


(Pyrococcus
furiosus)
PF02195
(ParBc)
4 PHE A  40
LEU A  80
PHE A  50
LEU A 238
None
0.94A 3i45A-1vk1A:
undetectable
3i45A-1vk1A:
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.
1xpg 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE


(Thermotoga
maritima)
PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1)
4 GLU A 265
LEU A 261
TYR A 239
LEU A 300
None
0.95A 3i45A-1xpgA:
undetectable
3i45A-1xpgA:
19.51
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.
1ye9 CATALASE HPII

(Escherichia
coli)
PF00199
(Catalase)
PF06628
(Catalase-rel)
4 PHE A 196
LEU A 153
PHE A 291
LEU E 336
None
1.01A 3i45A-1ye9A:
undetectable
3i45A-1ye9A:
20.70
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.
1ynb HYPOTHETICAL PROTEIN
AF1432


(Archaeoglobus
fulgidus)
PF13023
(HD_3)
4 SER A  26
GLU A  37
PHE A 145
LEU A 128
None
1.02A 3i45A-1ynbA:
undetectable
3i45A-1ynbA:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bw2 BYPASS OF FORESPORE
C


(Bacillus
subtilis)
PF08955
(BofC_C)
PF08977
(BOFC_N)
4 PHE A  39
GLU A  31
PHE A  58
LEU A  15
None
0.94A 3i45A-2bw2A:
undetectable
3i45A-2bw2A:
19.25
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.
2ct6 SH3 DOMAIN-BINDING
GLUTAMIC
ACID-RICH-LIKE
PROTEIN 2


(Homo sapiens)
PF04908
(SH3BGR)
4 PHE A  89
LEU A 102
PHE A  33
LEU A  34
None
1.02A 3i45A-2ct6A:
undetectable
3i45A-2ct6A:
15.54
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.
2cvt RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
LARGE CHAIN 1


(Saccharomyces
cerevisiae)
PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF03477
(ATP-cone)
4 LEU A 450
TYR A 465
PHE A 467
LEU A 470
None
0.97A 3i45A-2cvtA:
2.5
3i45A-2cvtA:
17.31
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.
2fb0 CONSERVED
HYPOTHETICAL PROTEIN


(Bacteroides
thetaiotaomicron)
PF03992
(ABM)
4 PHE A  71
GLU A  66
TYR A  38
LEU A  86
ACT  A 901 (-4.7A)
None
ACT  A 901 (-4.7A)
None
0.86A 3i45A-2fb0A:
undetectable
3i45A-2fb0A:
15.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fpo METHYLASE YHHF

(Escherichia
coli)
PF03602
(Cons_hypoth95)
4 GLU A 176
LEU A 173
TYR A 187
LEU A 164
None
0.95A 3i45A-2fpoA:
2.1
3i45A-2fpoA:
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.
2j3z C2 TOXIN COMPONENT I

(Clostridium
botulinum)
PF03496
(ADPrib_exo_Tox)
5 GLU A 389
LEU A 391
TYR A 237
PHE A 381
LEU A 253
GOL  A1435 (-3.4A)
GOL  A1435 ( 4.9A)
None
None
GOL  A1435 (-4.5A)
1.43A 3i45A-2j3zA:
undetectable
3i45A-2j3zA:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nda MID-CELL-ANCHORED
PROTEIN Z


(Streptococcus
pneumoniae)
no annotation 4 PHE A  91
LEU A  68
TYR A  66
LEU A  48
None
0.90A 3i45A-2ndaA:
undetectable
3i45A-2ndaA:
15.67
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.
2qgs PROTEIN SE1688

(Staphylococcus
epidermidis)
no annotation 4 PHE A 137
SER A 169
PHE A 208
LEU A 205
None
0.75A 3i45A-2qgsA:
undetectable
3i45A-2qgsA:
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.
2qh5 MANNOSE-6-PHOSPHATE
ISOMERASE


(Helicobacter
pylori)
PF00483
(NTP_transferase)
4 PHE A 215
SER A 217
LEU A 231
LEU A  80
None
1.02A 3i45A-2qh5A:
2.6
3i45A-2qh5A:
25.06
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.
2qma DIAMINOBUTYRATE-PYRU
VATE TRANSAMINASE
AND
L-2,4-DIAMINOBUTYRAT
E DECARBOXYLASE


(Vibrio
parahaemolyticus)
PF00282
(Pyridoxal_deC)
4 LEU A 762
TYR A 614
PHE A 788
LEU A 787
None
1.02A 3i45A-2qmaA:
3.2
3i45A-2qmaA:
22.33
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.
2qvw GLP_546_48378_50642

(Giardia
intestinalis)
PF00636
(Ribonuclease_3)
PF02170
(PAZ)
5 PHE A 480
SER A 482
LEU A 370
PHE A 355
LEU A 351
None
1.43A 3i45A-2qvwA:
undetectable
3i45A-2qvwA:
18.80
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.
2sas SARCOPLASMIC
CALCIUM-BINDING
PROTEIN


(Branchiostoma
lanceolatum)
PF13833
(EF-hand_8)
4 LEU A 169
TYR A 161
TYR A 165
PHE A  17
None
0.96A 3i45A-2sasA:
undetectable
3i45A-2sasA:
17.89
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.
2tbv TOMATO BUSHY STUNT
VIRUS


(Tomato bushy
stunt virus)
PF00729
(Viral_coat)
4 LEU A 374
TYR A 349
PHE A 364
LEU A 302
None
1.01A 3i45A-2tbvA:
undetectable
3i45A-2tbvA:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vmb GENERAL SECRETION
PATHWAY PROTEIN F


(Vibrio cholerae)
PF00482
(T2SSF)
4 PHE A 129
SER A 121
LEU A 118
LEU A  75
None
0.91A 3i45A-2vmbA:
undetectable
3i45A-2vmbA:
17.66
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.
2vou 2,6-DIHYDROXYPYRIDIN
E HYDROXYLASE


(Paenarthrobacter
nicotinovorans)
PF00070
(Pyr_redox)
4 PHE A 262
LEU A 269
PHE A 221
LEU A 203
None
0.89A 3i45A-2vouA:
undetectable
3i45A-2vouA:
24.36
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.
2w2s MATRIX PROTEIN

(Lagos bat
lyssavirus)
PF04785
(Rhabdo_M2)
4 LEU A 153
TYR A 138
PHE A  79
LEU A  76
None
0.92A 3i45A-2w2sA:
undetectable
3i45A-2w2sA:
18.70
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.
2wnt RIBOSOMAL PROTEIN S6
KINASE


(Homo sapiens)
PF00069
(Pkinase)
4 PHE A 507
LEU A 498
TYR A 543
LEU A 603
None
0.88A 3i45A-2wntA:
undetectable
3i45A-2wntA:
22.71
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.
2yd0 ENDOPLASMIC
RETICULUM
AMINOPEPTIDASE 1


(Homo sapiens)
PF01433
(Peptidase_M1)
PF11838
(ERAP1_C)
4 SER A 481
TYR A 464
PHE A 378
LEU A 374
None
0.71A 3i45A-2yd0A:
undetectable
3i45A-2yd0A:
18.11
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.
2z1a 5'-NUCLEOTIDASE

(Thermus
thermophilus)
PF00149
(Metallophos)
PF02872
(5_nucleotid_C)
4 PHE A  85
LEU A 113
PHE A 128
LEU A 129
None
0.91A 3i45A-2z1aA:
2.7
3i45A-2z1aA:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z95 GDP-D-MANNOSE
DEHYDRATASE


(Aquifex
aeolicus)
PF16363
(GDP_Man_Dehyd)
4 SER A 183
LEU A 185
TYR A 223
LEU A  48
None
0.90A 3i45A-2z95A:
2.4
3i45A-2z95A:
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.
3al9 PLEXIN-A2

(Mus musculus)
PF01403
(Sema)
PF01437
(PSI)
4 SER A 489
LEU A 493
TYR A 496
TYR A 494
None
0.99A 3i45A-3al9A:
undetectable
3i45A-3al9A:
21.86
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.
3bhi CARBONYL REDUCTASE
[NADPH] 1


(Homo sapiens)
PF00106
(adh_short)
4 LEU A   8
TYR A  80
PHE A  75
LEU A  72
None
0.93A 3i45A-3bhiA:
4.8
3i45A-3bhiA:
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.
3bq9 PREDICTED ROSSMANN
FOLD
NUCLEOTIDE-BINDING
DOMAIN-CONTAINING
PROTEIN


(Idiomarina
baltica)
PF03641
(Lysine_decarbox)
PF11892
(DUF3412)
PF14793
(DUF4478)
4 PHE A 388
LEU A 261
PHE A 298
LEU A 295
None
1.03A 3i45A-3bq9A:
4.3
3i45A-3bq9A:
24.05
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.
3byh FIMBRIN ABD2

(Homo sapiens)
PF00307
(CH)
4 SER B 435
LEU B 428
PHE B 496
LEU B 493
None
0.74A 3i45A-3byhB:
undetectable
3i45A-3byhB:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d8u PURR TRANSCRIPTIONAL
REGULATOR


(Vibrio
parahaemolyticus)
PF13377
(Peripla_BP_3)
4 PHE A 133
LEU A 105
PHE A  88
LEU A  89
None
1.03A 3i45A-3d8uA:
16.8
3i45A-3d8uA:
23.83
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.
3da5 ARGONAUTE

(Thermococcus
thioreducens)
PF12212
(PAZ_siRNAbind)
4 LEU A  35
TYR A 127
PHE A  25
LEU A  26
None
0.88A 3i45A-3da5A:
undetectable
3i45A-3da5A:
15.26
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.
3ga1 NUCLEUS
ACCUMBENS-ASSOCIATED
PROTEIN 1


(Homo sapiens)
PF00651
(BTB)
4 SER A  52
LEU A 107
TYR A  54
LEU A  69
None
1.02A 3i45A-3ga1A:
undetectable
3i45A-3ga1A:
16.27
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.
3gpr RHODOCETIN SUBUNIT
BETA


(Calloselasma
rhodostoma)
PF00059
(Lectin_C)
4 SER B2011
LEU B2013
TYR B2016
TYR B2014
None
1.00A 3i45A-3gprB:
undetectable
3i45A-3gprB:
19.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 9


(Thermus
thermophilus)
PF12838
(Fer4_7)
4 TYR 9 161
TYR 9 117
PHE 9 173
LEU 9 170
None
0.93A 3i45A-3i9v9:
undetectable
3i45A-3i9v9:
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.
3kfg MAJOR URINARY
PROTEIN 4


(Mus musculus)
PF00061
(Lipocalin)
4 PHE A  90
TYR A 120
PHE A  54
LEU A  69
HTX  A 302 ( 3.7A)
None
HTX  A 302 ( 3.8A)
None
0.86A 3i45A-3kfgA:
undetectable
3i45A-3kfgA:
18.59
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.
3l6a EUKARYOTIC
TRANSLATION
INITIATION FACTOR 4
GAMMA 2


(Homo sapiens)
PF02020
(W2)
PF02847
(MA3)
4 PHE A 137
LEU A 187
PHE A 157
LEU A 153
None
None
MES  A 362 (-4.8A)
None
1.03A 3i45A-3l6aA:
undetectable
3i45A-3l6aA:
21.31
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.
3naf CALCIUM-ACTIVATED
POTASSIUM CHANNEL
SUBUNIT
ALPHA-1,CALCIUM-ACTI
VATED POTASSIUM
CHANNEL SUBUNIT
ALPHA-1,CALCIUM-ACTI
VATED POTASSIUM
CHANNEL SUBUNIT
ALPHA-1


(Homo sapiens)
PF03493
(BK_channel_a)
4 PHE A 756
LEU A 803
TYR A 762
LEU A 491
None
1.01A 3i45A-3nafA:
4.8
3i45A-3nafA:
18.47
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.
3oja ANOPHELES
PLASMODIUM-RESPONSIV
E LEUCINE-RICH
REPEAT PROTEIN 1


(Anopheles
gambiae)
PF13855
(LRR_8)
4 PHE B 156
LEU B 207
PHE B 201
LEU B 198
None
1.03A 3i45A-3ojaB:
undetectable
3i45A-3ojaB:
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.
3ojy COMPLEMENT COMPONENT
C8 ALPHA CHAIN


(Homo sapiens)
PF00057
(Ldl_recept_a)
PF00090
(TSP_1)
PF01823
(MACPF)
5 LEU A 461
TYR A 297
TYR A 460
PHE A 464
LEU A 129
None
1.44A 3i45A-3ojyA:
undetectable
3i45A-3ojyA:
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.
3oky PLEXIN-A2

(Mus musculus)
PF01403
(Sema)
PF01437
(PSI)
4 SER A 489
LEU A 493
TYR A 496
TYR A 494
None
0.91A 3i45A-3okyA:
undetectable
3i45A-3okyA:
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.
3uyu ANTIFREEZE PROTEIN

(Leucosporidium
sp. AY30)
PF11999
(DUF3494)
4 PHE A 191
LEU A 130
PHE A 154
LEU A 135
None
0.97A 3i45A-3uyuA:
undetectable
3i45A-3uyuA:
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.
3v75 OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE


(Streptomyces
avermitilis)
PF00215
(OMPdecase)
4 SER A 146
LEU A 114
PHE A 196
LEU A 150
None
1.03A 3i45A-3v75A:
undetectable
3i45A-3v75A:
23.32
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.
3zq3 OBP3 PROTEIN

(Rattus
norvegicus)
PF00061
(Lipocalin)
4 PHE A 109
TYR A 139
PHE A  73
LEU A  88
None
0.92A 3i45A-3zq3A:
undetectable
3i45A-3zq3A:
17.51
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.
3zzf ACETYLGLUTAMATE
KINASE


(Saccharomyces
cerevisiae)
PF00696
(AA_kinase)
4 LEU A 338
TYR A  87
PHE A 122
LEU A 123
None
None
None
HG  A1358 ( 4.5A)
0.89A 3i45A-3zzfA:
2.7
3i45A-3zzfA:
21.28
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.
4aef NEOPULLULANASE
(ALPHA-AMYLASE II)


(Pyrococcus
furiosus)
PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16561
(AMPK1_CBM)
4 GLU A 479
LEU A 482
TYR A 487
TYR A 486
None
0.99A 3i45A-4aefA:
undetectable
3i45A-4aefA:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ccy CARBOXYLESTERASE
YBFK


(Bacillus
subtilis)
PF12697
(Abhydrolase_6)
4 PHE B 108
SER B 134
LEU B 131
LEU B 214
None
1.02A 3i45A-4ccyB:
3.0
3i45A-4ccyB:
21.48
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.
4ieg RNA-DEPENDENT RNA
POLYMERASE P2


(Pseudomonas
phage phi12)
no annotation 4 SER A 383
LEU A 410
TYR A 409
PHE A 233
None
0.93A 3i45A-4iegA:
undetectable
3i45A-4iegA:
22.10
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.
4j34 KYNURENINE
3-MONOOXYGENASE


(Saccharomyces
cerevisiae)
PF01494
(FAD_binding_3)
5 PHE A 245
SER A 243
LEU A 198
PHE A 270
LEU A 266
None
1.40A 3i45A-4j34A:
2.4
3i45A-4j34A:
22.53
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.
4j7m PROTEIN DOM3Z

(Mus musculus)
PF08652
(RAI1)
4 PHE A  40
LEU A 224
TYR A  43
PHE A 282
None
0.90A 3i45A-4j7mA:
undetectable
3i45A-4j7mA:
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.
4j9u TRK SYSTEM POTASSIUM
UPTAKE PROTEIN TRKH


(Vibrio
parahaemolyticus)
PF02386
(TrkH)
4 LEU A  86
TYR A 130
PHE A  17
LEU A  46
None
0.99A 3i45A-4j9uA:
undetectable
3i45A-4j9uA:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k3j HEPATOCYTE GROWTH
FACTOR BETA CHAIN


(Homo sapiens)
PF01403
(Sema)
PF01437
(PSI)
4 PHE B 346
LEU B 262
PHE B 365
LEU B 342
None
0.97A 3i45A-4k3jB:
undetectable
3i45A-4k3jB:
21.48
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.
4mu9 GLYCOSIDE HYDROLASE
FAMILY 73


(Bacteroides
thetaiotaomicron)
PF03663
(Glyco_hydro_76)
4 SER A  77
LEU A  49
TYR A 116
TYR A  82
None
1.03A 3i45A-4mu9A:
undetectable
3i45A-4mu9A:
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.
4nuh ICE-BINDING PROTEIN

(Leucosporidium)
PF11999
(DUF3494)
4 PHE A 165
LEU A 104
PHE A 128
LEU A 109
None
1.02A 3i45A-4nuhA:
undetectable
3i45A-4nuhA:
23.14
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.
4o6m AF2299, A
CDP-ALCOHOL
PHOSPHOTRANSFERASE


(Archaeoglobus
fulgidus)
PF01066
(CDP-OH_P_transf)
4 PHE A  34
LEU A  64
PHE A  82
LEU A  72
None
1.00A 3i45A-4o6mA:
undetectable
3i45A-4o6mA:
23.02
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.
4o92 GLUTATHIONE
S-TRANSFERASE


(Pichia
kudriavzevii)
PF00043
(GST_C)
PF02798
(GST_N)
4 PHE A  70
SER A  73
PHE A  52
LEU A  60
None
0.95A 3i45A-4o92A:
undetectable
3i45A-4o92A:
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.
4pmz XYLANASE

(Xanthomonas
citri)
PF00331
(Glyco_hydro_10)
4 LEU A 317
TYR A 269
PHE A 255
LEU A 287
None
0.65A 3i45A-4pmzA:
undetectable
3i45A-4pmzA:
22.06
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.
4pua GLUTATHIONE
S-TRANSFERASE


(Streptococcus
pneumoniae)
PF02798
(GST_N)
PF13410
(GST_C_2)
4 LEU A 222
TYR A 223
PHE A 159
LEU A 155
None
0.83A 3i45A-4puaA:
undetectable
3i45A-4puaA:
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.
4u10 POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE


(Aggregatibacter
actinomycetemcomitans)
PF01522
(Polysacc_deac_1)
4 SER A  96
LEU A  31
TYR A  33
PHE A  62
None
1.03A 3i45A-4u10A:
2.0
3i45A-4u10A:
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.
4u2n ZINC FINGER AND BTB
DOMAIN-CONTAINING
PROTEIN 17,NUCLEUS
ACCUMBENS-ASSOCIATED
PROTEIN 1


(Homo sapiens)
PF00651
(BTB)
4 SER A  46
LEU A  99
TYR A  48
LEU A  62
None
0.98A 3i45A-4u2nA:
undetectable
3i45A-4u2nA:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4udb MINERALOCORTICOID
RECEPTOR


(Homo sapiens)
PF00104
(Hormone_recep)
4 GLU A 868
LEU A 924
PHE A 859
LEU A 862
DMS  A1984 (-3.8A)
None
None
None
0.84A 3i45A-4udbA:
undetectable
3i45A-4udbA:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uvj COHESIN SUBUNIT SCC3

(Saccharomyces
cerevisiae)
no annotation 4 SER A 838
LEU A 833
PHE A 857
LEU A 860
None
0.97A 3i45A-4uvjA:
undetectable
3i45A-4uvjA:
24.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ux8 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET


(Homo sapiens)
PF00028
(Cadherin)
4 PHE A  66
SER A 128
LEU A  29
PHE A  31
None
1.03A 3i45A-4ux8A:
undetectable
3i45A-4ux8A:
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.
4woy MITOCHONDRIAL
DYNAMICS PROTEIN
MID49


(Mus musculus)
PF03281
(Mab-21)
4 PHE A 454
GLU A 451
PHE A 401
LEU A 402
None
1.01A 3i45A-4woyA:
undetectable
3i45A-4woyA:
24.88
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.
4zpd RNA-DIRECTED RNA
POLYMERASE


(Enterovirus B)
PF00680
(RdRP_1)
4 LEU A 256
TYR A 258
PHE A 191
LEU A 194
None
0.87A 3i45A-4zpdA:
undetectable
3i45A-4zpdA:
22.34
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.
5ay7 XYLANASE

(Aegilops
speltoides)
PF00331
(Glyco_hydro_10)
4 PHE A  12
LEU A 241
PHE A 281
LEU A 280
None
1.03A 3i45A-5ay7A:
undetectable
3i45A-5ay7A:
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.
5b4w PLEXIN-B1

(Homo sapiens)
PF01403
(Sema)
PF01437
(PSI)
4 PHE A 297
LEU A 231
PHE A 324
LEU A 293
None
0.99A 3i45A-5b4wA:
undetectable
3i45A-5b4wA:
24.33
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.
5bn4 V-TYPE ATP SYNTHASE
ALPHA CHAIN


(Nanoarchaeum
equitans)
PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N)
PF16886
(ATP-synt_ab_Xtn)
4 PHE A 211
LEU A 489
PHE A 449
LEU A 452
None
0.98A 3i45A-5bn4A:
undetectable
3i45A-5bn4A:
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.
5bqm SOMATOLIBERIN,BOTULI
NUM NEUROTOXIN TYPE
D


(Clostridium
botulinum;
Homo sapiens)
PF07952
(Toxin_trans)
4 SER B 614
GLU B 631
TYR B 611
LEU B 705
None
0.96A 3i45A-5bqmB:
undetectable
3i45A-5bqmB:
21.86
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.
5bsw 4-COUMARATE--COA
LIGASE 2


(Nicotiana
tabacum)
PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
4 SER A  98
LEU A  27
TYR A  99
PHE A  32
None
1.03A 3i45A-5bswA:
4.9
3i45A-5bswA:
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.
5eft P9-1

(Southern rice
black-streaked
dwarf virus)
PF06043
(Reo_P9)
4 PHE B 203
LEU B 253
PHE B 261
LEU B 264
None
0.92A 3i45A-5eftB:
undetectable
3i45A-5eftB:
22.31
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.
5ept PEROXIREDOXIN TSA2

(Saccharomyces
cerevisiae)
no annotation 4 LEU H 108
TYR H 112
PHE H 127
LEU H  37
None
0.99A 3i45A-5eptH:
undetectable
3i45A-5eptH:
20.30
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.
5fa1 PUTATIVE N-ACETYL
GLUCOSAMINYL
TRANSFERASE


(Raoultella
terrigena)
PF05159
(Capsule_synth)
4 LEU A  82
TYR A   9
PHE A 105
LEU A 113
None
1.00A 3i45A-5fa1A:
2.1
3i45A-5fa1A:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5htv PUTATIVE XYLULOSE
KINASE


(Arabidopsis
thaliana)
PF00370
(FGGY_N)
PF02782
(FGGY_C)
4 PHE A 222
LEU A 164
PHE A  63
LEU A  62
None
0.94A 3i45A-5htvA:
undetectable
3i45A-5htvA:
23.31
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.
5j6s ENDOPLASMIC
RETICULUM
AMINOPEPTIDASE 2


(Homo sapiens)
PF01433
(Peptidase_M1)
PF11838
(ERAP1_C)
4 SER A 498
TYR A 481
PHE A 395
LEU A 391
None
0.76A 3i45A-5j6sA:
undetectable
3i45A-5j6sA:
18.64
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.
5jjc CYSTEINE SYNTHASE

(Brucella
abortus)
PF00291
(PALP)
5 SER A 251
LEU A 214
TYR A 218
PHE A 246
LEU A 243
None
1.01A 3i45A-5jjcA:
2.4
3i45A-5jjcA:
23.30
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.
5jvt FRIEND LEUKEMIA
INTEGRATION 1
TRANSCRIPTION FACTOR


(Homo sapiens)
PF00178
(Ets)
4 PHE A 360
LEU A 339
TYR A 342
LEU A 283
None
1.03A 3i45A-5jvtA:
undetectable
3i45A-5jvtA:
12.66
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.
5klh SURFACE GLYCOPROTEIN

(Trypanosoma
brucei)
no annotation 4 SER A 212
GLU A 247
LEU A 214
TYR A 193
None
0.86A 3i45A-5klhA:
undetectable
3i45A-5klhA:
19.02
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.
5lc5 NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
2
NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
4


(Bos taurus)
PF00361
(Proton_antipo_M)
PF01059
(Oxidored_q5_N)
PF06444
(NADH_dehy_S2_C)
4 SER M 157
LEU M 154
TYR M 119
PHE N 260
None
0.95A 3i45A-5lc5M:
undetectable
3i45A-5lc5M:
22.20
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.
5mwp MINERALOCORTICOID
RECEPTOR


(Homo sapiens)
no annotation 4 GLU A 868
LEU A 924
PHE A 859
LEU A 862
None
1.01A 3i45A-5mwpA:
undetectable
3i45A-5mwpA:
10.99
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.
5mx0 FIBROMODULIN

(Homo sapiens)
PF01462
(LRRNT)
PF13516
(LRR_6)
PF13855
(LRR_8)
4 GLU A 247
LEU A 271
TYR A 250
TYR A 272
None
0.99A 3i45A-5mx0A:
undetectable
3i45A-5mx0A:
20.71
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.
5uxx ANTI-SIGMA FACTOR
NEPR
RNA POLYMERASE SIGMA
FACTOR


(Bartonella
quintana)
no annotation 4 GLU A 119
LEU A  26
TYR B  34
PHE A  62
None
0.94A 3i45A-5uxxA:
undetectable
3i45A-5uxxA:
11.40
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.
5v4r LA-RELATED PROTEIN 1

(Homo sapiens)
no annotation 4 GLU A 857
LEU A 821
PHE A 839
LEU A 838
None
0.91A 3i45A-5v4rA:
undetectable
3i45A-5v4rA:
18.34
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.
5wnn PHOSPHATE-BINDING
PROTEIN PSTS


(Burkholderia
pseudomallei)
PF12849
(PBP_like_2)
4 PHE A 297
LEU A 294
PHE A  72
LEU A 280
None
1.01A 3i45A-5wnnA:
2.1
3i45A-5wnnA:
22.95
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.
5x0e FREE SERINE KINASE

(Thermococcus
kodakarensis)
PF02195
(ParBc)
4 PHE A  40
LEU A  80
PHE A  50
LEU A 238
AMP  A 301 ( 4.9A)
None
AMP  A 301 (-3.8A)
None
1.00A 3i45A-5x0eA:
undetectable
3i45A-5x0eA:
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.
5x7y LIPOCALIN-CAN F 6
ALLERGEN


(Canis lupus)
no annotation 4 PHE A  93
TYR A 123
PHE A  57
LEU A  72
PHE  A  93 ( 1.3A)
TYR  A 123 ( 1.3A)
PHE  A  57 (-1.3A)
LEU  A  72 ( 0.6A)
0.90A 3i45A-5x7yA:
undetectable
3i45A-5x7yA:
11.05
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.
5xe0 GENOME POLYPROTEIN

(Enterovirus D)
PF00680
(RdRP_1)
4 LEU A 252
TYR A 254
PHE A 187
LEU A 190
None
0.94A 3i45A-5xe0A:
undetectable
3i45A-5xe0A:
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.
5ys3 SUCCINATE-ACETATE
PERMEASE


(Citrobacter
koseri)
no annotation 4 PHE A  75
LEU A  24
PHE A 135
LEU A 138
ACT  A 202 ( 4.7A)
ACT  A 202 ( 4.5A)
ACT  A 202 (-4.2A)
ACT  A 201 (-4.1A)
1.02A 3i45A-5ys3A:
undetectable
3i45A-5ys3A:
14.74
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.
6acd -

(-)
no annotation 4 LEU A 377
TYR A 352
PHE A 501
LEU A 503
None
0.97A 3i45A-6acdA:
undetectable
3i45A-6acdA:
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.
6c4n PSEUDOPALINE
DEHYDROGENASE


(Pseudomonas
aeruginosa)
no annotation 4 SER A 100
GLU A 364
TYR A 101
PHE A 125
NAP  A 501 (-3.4A)
NAP  A 501 (-2.6A)
None
None
0.85A 3i45A-6c4nA:
2.4
3i45A-6c4nA:
12.94
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.
6d6u GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
BETA-2,GAMMA-AMINOBU
TYRIC ACID RECEPTOR
SUBUNIT BETA-2


(Homo sapiens)
no annotation 4 LEU B 118
TYR A  97
TYR A 157
PHE B  65
None
None
ABU  A 405 (-4.4A)
ABU  A 405 (-4.6A)
0.99A 3i45A-6d6uB:
undetectable
3i45A-6d6uB:
12.50
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.
6eoj MRNA
3'-END-PROCESSING
PROTEIN YTH1
PROTEIN CFT1


(Saccharomyces
cerevisiae)
no annotation 4 LEU A1162
TYR A1199
PHE B  15
LEU B  19
None
0.94A 3i45A-6eojA:
undetectable
3i45A-6eojA:
13.90
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.
6gi2 FERRIC ENTEROBACTIN
ESTERASE


(Pseudomonas
aeruginosa)
no annotation 5 LEU A  27
TYR A  88
TYR A  36
PHE A 128
LEU A 131
None
1.39A 3i45A-6gi2A:
2.4
3i45A-6gi2A:
13.21