SIMILAR PATTERNS OF AMINO ACIDS FOR 3N66_B_ACTB860_0

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.
1bu8 PROTEIN (PANCREATIC
LIPASE RELATED
PROTEIN 2)

(Rattus
norvegicus) 		PF00151
(Lipase)
PF01477
(PLAT) 		3 GLY A 125
TRP A 106
VAL A  74
 None
 0.52A 3n66B-1bu8A:
0.4		 3n66B-1bu8A:
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.
1evs ONCOSTATIN M

(Homo sapiens) 		PF01291
(LIF_OSM) 		3 GLY A  66
TRP A 187
VAL A 183
 None
 0.52A 3n66B-1evsA:
1.8		 3n66B-1evsA:
18.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fbw ENDO-1,4-BETA-GLUCAN
ASE F

([Clostridium]
cellulolyticum) 		PF02011
(Glyco_hydro_48) 		3 GLY A 496
TRP A 417
VAL A 416
 None
 0.54A 3n66B-1fbwA:
0.0		 3n66B-1fbwA:
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.
1id2 AMICYANIN

(Paracoccus
versutus) 		PF00127
(Copper-bind) 		3 GLY A 101
TRP A  46
VAL A  24
 None
 0.71A 3n66B-1id2A:
undetectable		 3n66B-1id2A:
13.24
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.
1jqe HISTAMINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF13489
(Methyltransf_23) 		3 GLY A  64
TRP A 115
VAL A  87
 None
 0.62A 3n66B-1jqeA:
undetectable		 3n66B-1jqeA:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lrw METHANOL
DEHYDROGENASE
SUBUNIT 1

(Paracoccus
denitrificans) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		3 GLY A 478
TRP A 245
VAL A 309
 None
 0.63A 3n66B-1lrwA:
undetectable		 3n66B-1lrwA:
20.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1lzx NITRIC-OXIDE
SYNTHASE

(Rattus
norvegicus) 		PF02898
(NO_synthase) 		3 GLY A 417
TRP A 587
VAL A 649
 ACT  A 860 ( 3.9A)
HEM  A 750 (-3.4A)
ACT  A 860 (-4.3A)
 0.09A 3n66B-1lzxA:
62.3		 3n66B-1lzxA:
99.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE

(Homo sapiens) 		PF02898
(NO_synthase) 		3 GLY A 186
TRP A 356
VAL A 418
 MPD  A 604 (-3.8A)
HEM  A 901 (-3.6A)
MPD  A 604 (-4.2A)
 0.10A 3n66B-1m9qA:
30.8		 3n66B-1m9qA:
64.95
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.
1ma1 SUPEROXIDE DISMUTASE

(Methanothermobacter
thermautotrophicus) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		3 GLY A  75
TRP A 131
VAL A 148
 None
 0.46A 3n66B-1ma1A:
undetectable		 3n66B-1ma1A:
17.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mjt NITRIC-OXIDE
SYNTHASE HOMOLOG

(Staphylococcus
aureus) 		PF02898
(NO_synthase) 		3 GLY A  64
TRP A 225
VAL A 287
 HEM  A 500 ( 4.0A)
HEM  A 500 ( 3.4A)
None
 0.11A 3n66B-1mjtA:
30.6		 3n66B-1mjtA:
36.02
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.
1ofe FERREDOXIN-DEPENDENT
GLUTAMATE SYNTHASE 2

(Synechocystis
sp. PCC 6803) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		3 GLY A 285
TRP A 252
VAL A 249
 None
 0.62A 3n66B-1ofeA:
undetectable		 3n66B-1ofeA:
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.
1ogy PERIPLASMIC NITRATE
REDUCTASE

(Rhodobacter
sphaeroides) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		3 GLY A 293
TRP A 356
VAL A 355
 None
 0.66A 3n66B-1ogyA:
undetectable		 3n66B-1ogyA:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pcs PLASTOCYANIN

(Synechocystis
sp. PCC 6803) 		PF00127
(Copper-bind) 		3 GLY A  94
TRP A  29
VAL A   3
 None
 0.58A 3n66B-1pcsA:
undetectable		 3n66B-1pcsA:
13.03
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.
1pvt SUGAR-PHOSPHATE
ALDOLASE

(Thermotoga
maritima) 		PF00596
(Aldolase_II) 		3 GLY A 174
TRP A 189
VAL A 187
 None
 0.76A 3n66B-1pvtA:
undetectable		 3n66B-1pvtA:
21.38
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.
1qqh PAPILLOMAVIRUS
TRANSCRIPTION FACTOR
E2

(Alphapapillomavirus
7) 		PF00508
(PPV_E2_N) 		3 GLY A 157
TRP A 185
VAL A 119
 None
 0.61A 3n66B-1qqhA:
undetectable		 3n66B-1qqhA:
13.98
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.
1qs0 2-OXOISOVALERATE
DEHYDROGENASE
ALPHA-SUBUNIT

(Pseudomonas
putida) 		PF00676
(E1_dh)
PF12573
(OxoDH_E1alpha_N) 		3 GLY A 116
TRP A 304
VAL A 240
 None
 0.51A 3n66B-1qs0A:
undetectable		 3n66B-1qs0A:
20.99
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.
1r6k HPV11 REGULATORY
PROTEIN E2

(Alphapapillomavirus
10) 		PF00508
(PPV_E2_N) 		3 GLY A 156
TRP A 184
VAL A 119
 None
 0.68A 3n66B-1r6kA:
undetectable		 3n66B-1r6kA:
17.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tue REGULATORY PROTEIN
E2

(Alphapapillomavirus
7) 		PF00508
(PPV_E2_N) 		3 GLY B 161
TRP B 189
VAL B 123
 None
 0.64A 3n66B-1tueB:
3.2		 3n66B-1tueB:
23.62
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.
1uus STAT PROTEIN

(Dictyostelium
discoideum) 		PF00017
(SH2)
PF09267
(Dict-STAT-coil) 		3 GLY A 490
TRP A 488
VAL A 374
 None
 0.71A 3n66B-1uusA:
undetectable		 3n66B-1uusA:
20.08
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.
1v26 LONG-CHAIN-FATTY-ACI
D-COA SYNTHETASE

(Thermus
thermophilus) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		3 GLY A 325
TRP A 234
VAL A 231
 MYR  A1001 ( 3.8A)
MYR  A1001 (-3.5A)
None
 0.71A 3n66B-1v26A:
undetectable		 3n66B-1v26A:
20.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w6s METHANOL
DEHYDROGENASE
SUBUNIT 1

(Methylobacterium
extorquens) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		3 GLY A 478
TRP A 245
VAL A 309
 None
 0.58A 3n66B-1w6sA:
undetectable		 3n66B-1w6sA:
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.
1woj 2',3'-CYCLIC-NUCLEOT
IDE
3'-PHOSPHODIESTERASE

(Homo sapiens) 		PF05881
(CNPase) 		3 GLY A 194
TRP A 360
VAL A 271
 GLY  A 194 ( 0.0A)
TRP  A 360 ( 0.5A)
VAL  A 271 ( 0.6A)
 0.69A 3n66B-1wojA:
undetectable		 3n66B-1wojA:
19.58
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.
1y0y FRV OPERON PROTEIN
FRVX

(Pyrococcus
horikoshii) 		PF05343
(Peptidase_M42) 		3 GLY A  20
TRP A 106
VAL A 161
 None
 0.77A 3n66B-1y0yA:
undetectable		 3n66B-1y0yA:
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.
1zk5 F17G ADHESIN SUBUNIT

(Escherichia
coli) 		PF09222
(Fim-adh_lectin) 		3 GLY A 119
TRP A 109
VAL A  54
 NAG  A 301 (-3.6A)
NAG  A 301 (-3.9A)
None
 0.70A 3n66B-1zk5A:
undetectable		 3n66B-1zk5A:
18.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2an2 P332G A333S DOUBLE
MUTANT OF NITRIC
OXIDE SYNTHASE FROM
BACILLUS SUBTILIS

(Bacillus
subtilis) 		PF02898
(NO_synthase) 		3 GLY A  64
TRP A 234
VAL A 296
 HEM  A 901 ( 3.9A)
HEM  A 901 ( 3.6A)
None
 0.27A 3n66B-2an2A:
14.4		 3n66B-2an2A:
40.61
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.
2b3b GLUCOSE-BINDING
PROTEIN

(Thermus
thermophilus) 		PF01547
(SBP_bac_1) 		3 GLY A 182
TRP A 186
VAL A 343
 None
 0.72A 3n66B-2b3bA:
undetectable		 3n66B-2b3bA:
20.90
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.
2cb1 O-ACETYL HOMOSERINE
SULFHYDRYLASE

(Thermus
thermophilus) 		PF01053
(Cys_Met_Meta_PP) 		3 GLY A 180
TRP A 203
VAL A 283
 None
 0.73A 3n66B-2cb1A:
undetectable		 3n66B-2cb1A:
23.26
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.
2d0d 2-HYDROXY-6-OXO-7-ME
THYLOCTA-2,4-DIENOAT
E HYDROLASE

(Pseudomonas
fluorescens) 		PF00561
(Abhydrolase_1) 		3 GLY A  33
TRP A 143
VAL A 142
 CL  A 400 ( 4.2A)
None
None
 0.76A 3n66B-2d0dA:
undetectable		 3n66B-2d0dA:
19.72
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.
2d0v METHANOL
DEHYDROGENASE LARGE
SUBUNIT

(Hyphomicrobium
denitrificans) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		3 GLY A 478
TRP A 245
VAL A 309
 None
 0.49A 3n66B-2d0vA:
undetectable		 3n66B-2d0vA:
20.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2flq NITRIC OXIDE
SYNTHASE

(Geobacillus
stearothermophilus) 		PF02898
(NO_synthase) 		3 GLY A  78
TRP A 243
VAL A 305
 HEM  A 901 ( 4.3A)
HEM  A 901 ( 3.5A)
None
 0.25A 3n66B-2flqA:
16.3		 3n66B-2flqA:
42.32
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.
2ghs AGR_C_1268P

(Agrobacterium
fabrum) 		PF08450
(SGL) 		3 GLY A 306
TRP A 232
VAL A 224
 None
 0.77A 3n66B-2ghsA:
undetectable		 3n66B-2ghsA:
22.02
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.
2gzh RAS-RELATED PROTEIN
RAB-11A

(Homo sapiens) 		PF00071
(Ras) 		3 GLY A  83
TRP A  65
VAL A  15
 None
 0.74A 3n66B-2gzhA:
undetectable		 3n66B-2gzhA:
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.
2hxs RAS-RELATED PROTEIN
RAB-28

(Homo sapiens) 		PF00071
(Ras) 		3 GLY A  85
TRP A  67
VAL A  16
 None
 0.77A 3n66B-2hxsA:
1.2		 3n66B-2hxsA:
16.90
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.
2ix5 ACYL-COENZYME A
OXIDASE 4,
PEROXISOMAL

(Arabidopsis
thaliana) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		3 GLY A 229
TRP A 197
VAL A 265
 None
 0.73A 3n66B-2ix5A:
undetectable		 3n66B-2ix5A:
21.88
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.
2nnu REGULATORY PROTEIN
E2

(Alphapapillomavirus
9) 		PF00508
(PPV_E2_N) 		3 GLY A 156
TRP A 184
VAL A 119
 None
 0.53A 3n66B-2nnuA:
undetectable		 3n66B-2nnuA:
19.28
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.
2uu7 GLUTAMINE SYNTHETASE

(Canis lupus) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		3 GLY A  64
TRP A  32
VAL A 101
 None
 0.76A 3n66B-2uu7A:
undetectable		 3n66B-2uu7A:
23.23
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.
2v6j RNA HELICASE

(Kokobera virus) 		PF00271
(Helicase_C)
PF07652
(Flavi_DEAD) 		3 GLY A 188
TRP A 176
VAL A 178
 None
 0.57A 3n66B-2v6jA:
undetectable		 3n66B-2v6jA:
23.58
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.
2wbl RAC-LIKE GTP-BINDING
PROTEIN ARAC2

(Arabidopsis
thaliana) 		PF00071
(Ras) 		3 GLY C  77
TRP C  59
VAL C  10
 None
 0.67A 3n66B-2wblC:
undetectable		 3n66B-2wblC:
18.98
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.
2wk1 NOVP

(Actinoalloteichus
cyanogriseus) 		PF05711
(TylF) 		3 GLY A  98
TRP A  96
VAL A 152
 None
 0.66A 3n66B-2wk1A:
undetectable		 3n66B-2wk1A:
19.11
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.
2xqy ENVELOPE
GLYCOPROTEIN H

(Suid
alphaherpesvirus
1) 		PF02489
(Herpes_glycop_H)
PF17488
(Herpes_glycoH_C) 		3 GLY A 171
TRP A 142
VAL A 146
 None
 0.54A 3n66B-2xqyA:
undetectable		 3n66B-2xqyA:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ahi XYLULOSE
5-PHOSPHATE/FRUCTOSE
6-PHOSPHATE
PHOSPHOKETOLASE

(Bifidobacterium
breve) 		PF03894
(XFP)
PF09363
(XFP_C)
PF09364
(XFP_N) 		3 GLY A 484
TRP A 498
VAL A 535
 None
 0.70A 3n66B-3ahiA:
0.5		 3n66B-3ahiA:
19.20
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.
3au7 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Archaeoglobus
fulgidus) 		PF01336
(tRNA_anti-codon)
PF08489
(DUF1743) 		3 GLY A 150
TRP A   4
VAL A  97
 None
 0.62A 3n66B-3au7A:
undetectable		 3n66B-3au7A:
20.74
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.
3bjs MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Polaromonas sp.
JS666) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 GLY A 285
TRP A 306
VAL A 303
 None
 0.64A 3n66B-3bjsA:
undetectable		 3n66B-3bjsA:
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.
3c5m OLIGOGALACTURONATE
LYASE

(Vibrio
parahaemolyticus) 		PF14583
(Pectate_lyase22) 		3 GLY A 126
TRP A 130
VAL A  98
 None
 0.48A 3n66B-3c5mA:
undetectable		 3n66B-3c5mA:
20.63
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.
3c75 AMICYANIN

(Paracoccus
versutus) 		PF00127
(Copper-bind) 		3 GLY A 101
TRP A  46
VAL A  24
 None
 0.75A 3n66B-3c75A:
undetectable		 3n66B-3c75A:
16.24
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.
3cvd PLASTOCYANIN

(Phormidium
laminosum) 		PF00127
(Copper-bind) 		3 GLY A  99
TRP A  31
VAL A   5
 None
 0.64A 3n66B-3cvdA:
undetectable		 3n66B-3cvdA:
13.11
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.
3eap RHO
GTPASE-ACTIVATING
PROTEIN 11A

(Homo sapiens) 		PF00620
(RhoGAP) 		3 GLY A   0
TRP A   2
VAL A   7
 None
 0.73A 3n66B-3eapA:
undetectable		 3n66B-3eapA:
21.80
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.
3gyc PUTATIVE GLYCOSIDE
HYDROLASE

(Parabacteroides
distasonis) 		PF12876
(Cellulase-like) 		3 GLY A 364
TRP A 366
VAL A 369
 None
 0.75A 3n66B-3gycA:
0.1		 3n66B-3gycA:
21.02
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.
3gzy BIPHENYL DIOXYGENASE
SUBUNIT ALPHA
BIPHENYL DIOXYGENASE
SUBUNIT BETA

(Comamonas
testosteroni;
Comamonas
testosteroni) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A)
PF00866
(Ring_hydroxyl_B) 		3 GLY A 379
TRP A 214
VAL B 177
 None
 0.65A 3n66B-3gzyA:
undetectable		 3n66B-3gzyA:
21.90
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.
3hmc PUTATIVE PROPHAGE
LAMBDABA04, GLYCOSYL
HYDROLASE, FAMILY 25

(Bacillus
anthracis) 		PF01183
(Glyco_hydro_25) 		3 GLY A 117
TRP A  90
VAL A 121
 None
 0.77A 3n66B-3hmcA:
undetectable		 3n66B-3hmcA:
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.
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1

(Thermus
thermophilus) 		PF01512
(Complex1_51K)
PF10531
(SLBB)
PF10589
(NADH_4Fe-4S) 		3 GLY 1 396
TRP 1 408
VAL 1 407
 None
 0.64A 3n66B-3i9v1:
undetectable		 3n66B-3i9v1:
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.
3jcu CHLOROPHYLL A-B
BINDING PROTEIN,
CHLOROPLASTIC

(Spinacia
oleracea) 		PF00504
(Chloroa_b-bind) 		3 GLY G 202
TRP G  97
VAL G  96
 None
 0.74A 3n66B-3jcuG:
undetectable		 3n66B-3jcuG:
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.
3kxd CALCIUM-GATED
POTASSIUM CHANNEL
MTHK

(Methanothermobacter
thermautotrophicus) 		PF02080
(TrkA_C)
PF02254
(TrkA_N) 		3 GLY A 122
TRP A 123
VAL A 148
 None
 0.76A 3n66B-3kxdA:
undetectable		 3n66B-3kxdA:
19.38
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.
3me8 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Aquifex
aeolicus) 		PF02630
(SCO1-SenC) 		3 GLY A  89
TRP A  95
VAL A  97
 None
 0.76A 3n66B-3me8A:
undetectable		 3n66B-3me8A:
17.26
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.
3pe5 UNCHARACTERIZED
PROTEIN

([Clostridium]
leptum) 		PF03816
(LytR_cpsA_psr) 		3 GLY A 171
TRP A 159
VAL A 156
 None
 0.73A 3n66B-3pe5A:
undetectable		 3n66B-3pe5A:
22.17
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.
3pty ARABINOSYLTRANSFERAS
E C

(Mycobacterium
tuberculosis) 		PF14896
(Arabino_trans_C) 		3 GLY A 976
TRP A1009
VAL A 981
 None
 0.74A 3n66B-3ptyA:
undetectable		 3n66B-3ptyA:
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.
3rwo GTP-BINDING PROTEIN
YPT32/YPT11

(Saccharomyces
cerevisiae) 		no annotation 3 GLY B  85
TRP B  67
VAL B  17
 None
 0.65A 3n66B-3rwoB:
undetectable		 3n66B-3rwoB:
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.
3tnl SHIKIMATE
DEHYDROGENASE

(Listeria
monocytogenes) 		PF08501
(Shikimate_dh_N) 		3 GLY A 109
TRP A  70
VAL A  72
 None
 0.73A 3n66B-3tnlA:
undetectable		 3n66B-3tnlA:
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.
3wel ALPHA-GLUCOSIDASE

(Beta vulgaris) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16863
(NtCtMGAM_N) 		3 GLY A 465
TRP A 355
VAL A 353
 None
 0.59A 3n66B-3welA:
undetectable		 3n66B-3welA:
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.
4bax GLUTAMINE SYNTHETASE

(Streptomyces
coelicolor) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		3 GLY A  49
TRP A  15
VAL A  86
 None
 0.66A 3n66B-4baxA:
undetectable		 3n66B-4baxA:
21.57
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.
4ffk SUPEROXIDE DISMUTASE

(Acidilobus
saccharovorans) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		3 GLY A  87
TRP A 143
VAL A 160
 None
 0.46A 3n66B-4ffkA:
undetectable		 3n66B-4ffkA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fgm AMINOPEPTIDASE N
FAMILY PROTEIN

(Idiomarina
loihiensis) 		PF05299
(Peptidase_M61)
PF13180
(PDZ_2) 		3 GLY A 308
TRP A 304
VAL A 351
 None
 0.59A 3n66B-4fgmA:
undetectable		 3n66B-4fgmA:
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.
4gdf LARGE T ANTIGEN

(Macaca mulatta
polyomavirus 1) 		PF02217
(T_Ag_DNA_bind)
PF06431
(Polyoma_lg_T_C) 		3 GLY A 390
TRP A 393
VAL A 619
 None
 0.76A 3n66B-4gdfA:
undetectable		 3n66B-4gdfA:
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.
4i1i MALATE DEHYDROGENASE

(Leishmania
major) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		3 GLY A 304
TRP A 184
VAL A 192
 None
 0.63A 3n66B-4i1iA:
undetectable		 3n66B-4i1iA:
21.36
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.
4ita SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE

(Synechococcus
sp. PCC 7002) 		PF00171
(Aldedh) 		3 GLY A 250
TRP A 392
VAL A 237
 None
 0.57A 3n66B-4itaA:
undetectable		 3n66B-4itaA:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jjj CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Thermobifida
fusca) 		PF02011
(Glyco_hydro_48) 		3 GLY A 500
TRP A 420
VAL A 419
 None
 0.61A 3n66B-4jjjA:
undetectable		 3n66B-4jjjA:
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.
4knk BIFUNCTIONAL
AUTOLYSIN

(Staphylococcus
aureus) 		PF01510
(Amidase_2) 		3 GLY A 316
TRP A 368
VAL A 263
 None
 0.62A 3n66B-4knkA:
undetectable		 3n66B-4knkA:
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.
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus) 		no annotation 3 GLY A 493
TRP A 542
VAL A 531
 None
 0.74A 3n66B-4lgnA:
undetectable		 3n66B-4lgnA:
19.05
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.
4okd ISOAMYLASE

(Chlamydomonas
reinhardtii) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		3 GLY A 390
TRP A 229
VAL A 225
 GLC  A1005 (-3.2A)
GLC  A1006 (-4.3A)
None
 0.51A 3n66B-4okdA:
undetectable		 3n66B-4okdA:
16.90
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.
4qn9 N-ACYL-PHOSPHATIDYLE
THANOLAMINE-HYDROLYZ
ING PHOSPHOLIPASE D

(Homo sapiens) 		PF12706
(Lactamase_B_2) 		3 GLY A 223
TRP A 209
VAL A 227
 None
 0.67A 3n66B-4qn9A:
undetectable		 3n66B-4qn9A:
22.36
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.
4r0m MCYG PROTEIN

(Microcystis
aeruginosa) 		no annotation 3 GLY B 342
TRP B 272
VAL B 302
 FA5  B 701 (-3.6A)
FA5  B 701 (-3.7A)
None
 0.63A 3n66B-4r0mB:
undetectable		 3n66B-4r0mB:
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.
4xeq TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Desulfovibrio
vulgaris) 		PF03480
(DctP) 		3 GLY A 203
TRP A 204
VAL A  45
 None
PAF  A 401 (-3.7A)
None
 0.60A 3n66B-4xeqA:
undetectable		 3n66B-4xeqA:
23.23
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.
5aex AMMONIUM TRANSPORTER
MEP2

(Saccharomyces
cerevisiae) 		PF00909
(Ammonium_transp) 		3 GLY A 190
TRP A 173
VAL A 172
 None
 0.73A 3n66B-5aexA:
undetectable		 3n66B-5aexA:
21.29
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.
5awf FES CLUSTER ASSEMBLY
PROTEIN SUFB

(Escherichia
coli) 		PF01458
(UPF0051) 		3 GLY A 322
TRP A 287
VAL A 258
 None
 0.64A 3n66B-5awfA:
undetectable		 3n66B-5awfA:
22.75
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.
5djw ALPHA-GLUCOSIDASE II

(Bacteroides
thetaiotaomicron) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		3 GLY A 317
TRP A 209
VAL A 207
 None
 0.72A 3n66B-5djwA:
undetectable		 3n66B-5djwA:
20.93
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.
5en2 GD01 HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		3 GLY A  53
TRP A  33
VAL A  97
 None
 0.62A 3n66B-5en2A:
undetectable		 3n66B-5en2A:
18.56
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.
5gra TRNA
(CYTIDINE/URIDINE-2'
-O-)-METHYLTRANSFERA
SE TRMJ

(Zymomonas
mobilis) 		PF00588
(SpoU_methylase) 		3 GLY A  42
TRP A  43
VAL A  64
 None
 0.65A 3n66B-5graA:
undetectable		 3n66B-5graA:
20.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gz8 PROTEIN O-MANNOSE
KINASE

(Mus musculus) 		PF07714
(Pkinase_Tyr) 		3 GLY A 138
TRP A  99
VAL A  80
 None
 0.74A 3n66B-5gz8A:
undetectable		 3n66B-5gz8A:
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.
5gza PROTEIN O-MANNOSE
KINASE

(Danio rerio) 		PF07714
(Pkinase_Tyr) 		3 GLY A 137
TRP A  98
VAL A  79
 None
 0.73A 3n66B-5gzaA:
undetectable		 3n66B-5gzaA:
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.
5i99 CONTACTIN-3

(Mus musculus) 		PF00041
(fn3)
PF07679
(I-set)
PF13927
(Ig_3) 		3 GLY A 779
TRP A 721
VAL A 707
 None
 0.77A 3n66B-5i99A:
undetectable		 3n66B-5i99A:
20.53
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.
5j47 LARGE T ANTIGEN

(Human
polyomavirus 2) 		PF06431
(Polyoma_lg_T_C) 		3 GLY A 391
TRP A 394
VAL A 620
 None
 0.73A 3n66B-5j47A:
undetectable		 3n66B-5j47A:
20.37
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.
5jjr GENOME POLYPROTEIN

(Dengue virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		3 GLY A 848
TRP A 331
VAL A 334
 None
 0.72A 3n66B-5jjrA:
undetectable		 3n66B-5jjrA:
17.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jwz CELLULOSE-BINDING
FAMILY II

(Streptomyces
sp. SirexAA-E) 		PF02012
(BNR) 		3 GLY A 493
TRP A 537
VAL A 526
 None
 0.74A 3n66B-5jwzA:
undetectable		 3n66B-5jwzA:
19.35
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.
5k5m RNA DEPENDENT RNA
POLYMERASE

(Dengue virus) 		PF00972
(Flavi_NS5) 		3 GLY A 848
TRP A 332
VAL A 335
 None
 0.73A 3n66B-5k5mA:
undetectable		 3n66B-5k5mA:
19.61
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.
5kf7 BIFUNCTIONAL PROTEIN
PUTA

(Sinorhizobium
meliloti) 		PF00171
(Aldedh)
PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		3 GLY A 655
TRP A 574
VAL A 602
 None
 0.74A 3n66B-5kf7A:
undetectable		 3n66B-5kf7A:
15.41
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.
5mdx CHLOROPHYLL A-B
BINDING PROTEIN 1,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		no annotation 3 GLY G 237
TRP G 131
VAL G 130
 None
 0.71A 3n66B-5mdxG:
undetectable		 3n66B-5mdxG:
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.
5mpq TRANSGLYCOSYLASE

(Neisseria
meningitidis) 		PF01464
(SLT)
PF14718
(SLT_L) 		3 GLY A 505
TRP A 507
VAL A 443
 None
 0.76A 3n66B-5mpqA:
undetectable		 3n66B-5mpqA:
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.
5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE

(Homo sapiens) 		no annotation 3 GLY A 514
TRP A 402
VAL A 400
 None
 0.58A 3n66B-5nn8A:
undetectable		 3n66B-5nn8A:
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.
5oj3 -

(-) 		no annotation 3 GLY A 392
TRP A 396
VAL A 357
 None
 0.68A 3n66B-5oj3A:
undetectable		 3n66B-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.
5tmh POLYPROTEIN

(Zika virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		3 GLY A 850
TRP A 333
VAL A 336
 None
 0.66A 3n66B-5tmhA:
0.6		 3n66B-5tmhA:
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.
5u04 ZIKA VIRUS NS5 RDRP

(Zika virus) 		PF00972
(Flavi_NS5) 		3 GLY A 850
TRP A 333
VAL A 336
 None
 0.63A 3n66B-5u04A:
undetectable		 3n66B-5u04A:
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.
5ub8 LIKELY RAB FAMILY
GTP-BINDING PROTEIN

(Candida
albicans) 		PF00071
(Ras) 		3 GLY A  87
TRP A  69
VAL A  19
 None
 0.61A 3n66B-5ub8A:
undetectable		 3n66B-5ub8A:
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.
5uow N-METHYL-D-ASPARTATE
RECEPTOR SUBUNIT
NR1-8A

(Xenopus laevis) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		3 GLY A 268
TRP A 151
VAL A 150
 None
 0.67A 3n66B-5uowA:
undetectable		 3n66B-5uowA:
19.40
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.
5v8c TRANSCRIPTIONAL
REGULATOR

(Actinomyces
oris) 		no annotation 3 GLY A 317
TRP A 100
VAL A 135
 PE4  A 403 ( 3.9A)
None
None
 0.69A 3n66B-5v8cA:
undetectable		 3n66B-5v8cA:
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.
5wy8 INTERLEUKIN-1
RECEPTOR ACCESSORY
PROTEIN-LIKE 1

(Homo sapiens) 		no annotation 3 GLY B  58
TRP B  34
VAL B 129
 None
 0.64A 3n66B-5wy8B:
undetectable		 3n66B-5wy8B:
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.
5xm3 GLUCOSE
DEHYDROGENASE

(Methylophaga
aminisulfidivorans) 		no annotation 3 GLY A 509
TRP A 276
VAL A 340
 None
 0.64A 3n66B-5xm3A:
undetectable		 3n66B-5xm3A:
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.
5xr6 RAS-RELATED PROTEIN
RABA1A

(Arabidopsis
thaliana) 		no annotation 3 GLY A  85
TRP A  67
VAL A  17
 None
 0.74A 3n66B-5xr6A:
undetectable		 3n66B-5xr6A:
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.
5y9h SAFD,PUTATIVE OUTER
MEMBRANE
PROTEIN,PUTATIVE
OUTER MEMBRANE
PROTEIN,PUTATIVE
OUTER MEMBRANE
PROTEIN

(Salmonella
enterica) 		no annotation 3 GLY A 222
TRP A 259
VAL A 257
 None
 0.68A 3n66B-5y9hA:
undetectable		 3n66B-5y9hA:
20.87
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.
6d6q EXOSOME COMPLEX
COMPONENT RRP4

(Homo sapiens) 		no annotation 3 GLY H 133
TRP H  96
VAL H  91
 None
 0.74A 3n66B-6d6qH:
undetectable		 3n66B-6d6qH:
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.
6f1j -

(-) 		no annotation 3 GLY A 248
TRP A 251
VAL A 202
 None
 0.72A 3n66B-6f1jA:
undetectable		 3n66B-6f1jA:
undetectable