SIMILAR PATTERNS OF AMINO ACIDS FOR 3AIC_E_ACRE5044_2

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bru ELASTASE

(Sus scrofa) 		PF00089
(Trypsin) 		3 LEU P 105
TRP P  94
TYR P 234
 None
 1.01A 3aicE-1bruP:
undetectable		 3aicE-1bruP:
13.56
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.
1cg8 PROTEIN (HEMOGLOBIN)

(Dasyatis akajei) 		PF00042
(Globin) 		3 LEU B   3
TRP B  15
TYR B  10
 None
 0.95A 3aicE-1cg8B:
undetectable		 3aicE-1cg8B:
10.07
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.
1dj0 PSEUDOURIDINE
SYNTHASE I

(Escherichia
coli) 		PF01416
(PseudoU_synth_1) 		3 LEU A  91
TRP A  99
TYR A  18
 None
 0.99A 3aicE-1dj0A:
undetectable		 3aicE-1dj0A:
15.02
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.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		3 LEU A  93
TRP A 113
TYR A 121
 None
 0.90A 3aicE-1dr6A:
undetectable		 3aicE-1dr6A:
11.86
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.
1elt ELASTASE

(Salmo salar) 		PF00089
(Trypsin) 		3 LEU A 105
TRP A  94
TYR A 234
 None
 1.01A 3aicE-1eltA:
undetectable		 3aicE-1eltA:
13.41
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.
1f1z TNSA ENDONUCLEASE

(Escherichia
coli) 		PF08721
(Tn7_Tnp_TnsA_C)
PF08722
(Tn7_Tnp_TnsA_N) 		3 LEU A 148
TRP A  32
TYR A 152
 None
 1.01A 3aicE-1f1zA:
undetectable		 3aicE-1f1zA:
15.88
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.
1fob BETA-1,4-GALACTANASE

(Aspergillus
aculeatus) 		PF07745
(Glyco_hydro_53) 		3 LEU A 158
TRP A 143
TYR A 151
 None
 1.01A 3aicE-1fobA:
3.8		 3aicE-1fobA:
17.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jjf ENDO-1,4-BETA-XYLANA
SE Z

(Ruminiclostridium
thermocellum) 		PF00756
(Esterase) 		3 LEU A 273
TRP A 265
TYR A  39
 None
 0.99A 3aicE-1jjfA:
undetectable		 3aicE-1jjfA:
15.52
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.
1q1n HYPOTHETICAL
ZINC-TYPE ALCOHOL
DEHYDROGENASE-LIKE
PROTEIN IN PRE5-FET4
INTERGENIC REGION

(Saccharomyces
cerevisiae) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		3 LEU A 254
TRP A  57
TYR A 298
 None
 0.83A 3aicE-1q1nA:
undetectable		 3aicE-1q1nA:
17.58
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.
1r5a GLUTATHIONE
TRANSFERASE

(Anopheles
cracens) 		PF00043
(GST_C)
PF13417
(GST_N_3) 		3 LEU A 143
TRP A 138
TYR A 178
 None
 0.76A 3aicE-1r5aA:
undetectable		 3aicE-1r5aA:
14.27
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.
1rrh SEED LIPOXYGENASE-3

(Glycine max) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		3 LEU A 745
TRP A 498
TYR A 753
 None
 0.91A 3aicE-1rrhA:
undetectable		 3aicE-1rrhA:
21.83
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.
1sou 5,10-METHENYLTETRAHY
DROFOLATE SYNTHETASE

(Aquifex
aeolicus) 		PF01812
(5-FTHF_cyc-lig) 		3 LEU A 129
TRP A 165
TYR A 127
 None
 0.93A 3aicE-1souA:
undetectable		 3aicE-1souA:
11.70
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.
1tyj CELLULOSOMAL
SCAFFOLDIN

(Pseudobacteroides
cellulosolvens) 		PF00963
(Cohesin) 		3 LEU A 129
TRP A  48
TYR A  40
 None
 0.98A 3aicE-1tyjA:
undetectable		 3aicE-1tyjA:
11.95
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.
1u70 DIHYDROFOLATE
REDUCTASE

(Mus musculus) 		PF00186
(DHFR_1) 		3 LEU A  93
TRP A 113
TYR A 121
 None
 0.95A 3aicE-1u70A:
undetectable		 3aicE-1u70A:
12.91
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.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		3 LEU A  93
TRP A 113
TYR A 121
 None
 0.87A 3aicE-1u71A:
undetectable		 3aicE-1u71A:
12.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yk3 HYPOTHETICAL PROTEIN
RV1347C/MT1389

(Mycobacterium
tuberculosis) 		PF13523
(Acetyltransf_8) 		3 LEU A 203
TRP A 182
TYR A 201
 None
 1.01A 3aicE-1yk3A:
undetectable		 3aicE-1yk3A:
12.64
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.
2abj BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE,
CYTOSOLIC

(Homo sapiens) 		PF01063
(Aminotran_4) 		3 LEU A 135
TRP A  60
TYR A 119
 None
 0.79A 3aicE-2abjA:
undetectable		 3aicE-2abjA:
19.60
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.
2h1n OLIGOENDOPEPTIDASE F

(Geobacillus
stearothermophilus) 		PF01432
(Peptidase_M3) 		3 LEU A 192
TRP A 449
TYR A 196
 None
 0.88A 3aicE-2h1nA:
undetectable		 3aicE-2h1nA:
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.
2h39 PROBABLE
GALACTOSE-1-PHOSPHAT
E URIDYL TRANSFERASE

(Arabidopsis
thaliana) 		PF01087
(GalP_UDP_transf)
PF02744
(GalP_UDP_tr_C) 		3 LEU A 299
TRP A 311
TYR A 167
 None
 0.90A 3aicE-2h39A:
undetectable		 3aicE-2h39A:
17.10
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.
2i7t CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
73 KDA SUBUNIT

(Homo sapiens) 		PF00753
(Lactamase_B)
PF07521
(RMMBL)
PF10996
(Beta-Casp) 		3 LEU A 128
TRP A  82
TYR A 110
 None
 0.86A 3aicE-2i7tA:
undetectable		 3aicE-2i7tA:
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.
2jg7 ANTIQUITIN

(Acanthopagrus
schlegelii) 		PF00171
(Aldedh) 		3 LEU A 131
TRP A 174
TYR A 487
 None
 0.89A 3aicE-2jg7A:
undetectable		 3aicE-2jg7A:
20.12
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.
2mqs MATRIX
METALLOPROTEINASE-14

(Homo sapiens) 		PF00045
(Hemopexin) 		3 LEU A 329
TRP A 388
TYR A 372
 None
 1.01A 3aicE-2mqsA:
undetectable		 3aicE-2mqsA:
13.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pie E3 UBIQUITIN-PROTEIN
LIGASE RNF8

(Homo sapiens) 		PF00498
(FHA) 		3 LEU A  50
TRP A  29
TYR A  48
 None
 0.98A 3aicE-2pieA:
undetectable		 3aicE-2pieA:
9.34
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.
2pxj JMJC
DOMAIN-CONTAINING
HISTONE
DEMETHYLATION
PROTEIN 3A

(Homo sapiens) 		PF02373
(JmjC)
PF02375
(JmjN) 		3 LEU A 117
TRP A 208
TYR A 121
 None
 0.98A 3aicE-2pxjA:
undetectable		 3aicE-2pxjA:
18.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q3z TRANSGLUTAMINASE 2

(Homo sapiens) 		PF00868
(Transglut_N)
PF00927
(Transglut_C)
PF01841
(Transglut_core) 		3 LEU A 532
TRP A 404
TYR A 503
 None
 0.85A 3aicE-2q3zA:
undetectable		 3aicE-2q3zA:
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.
2rfm PUTATIVE ANKYRIN
REPEAT PROTEIN
TV1425

(Thermoplasma
volcanium) 		PF12796
(Ank_2)
PF13857
(Ank_5) 		3 LEU A  51
TRP A  71
TYR A  27
 None
 0.92A 3aicE-2rfmA:
undetectable		 3aicE-2rfmA:
12.99
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.
2v35 ELASTASE-1

(Sus scrofa) 		PF00089
(Trypsin) 		3 LEU A 105
TRP A  94
TYR A 234
 None
 1.00A 3aicE-2v35A:
undetectable		 3aicE-2v35A:
15.35
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.
2vmf BETA-MANNOSIDASE

(Bacteroides
thetaiotaomicron) 		PF00703
(Glyco_hydro_2) 		3 LEU A 484
TRP A 470
TYR A 488
 None
 1.00A 3aicE-2vmfA:
4.7		 3aicE-2vmfA:
21.23
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.
2ylk CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Ruminiclostridium
thermocellum) 		PF00942
(CBM_3) 		3 LEU A  34
TRP A 139
TYR A  32
 None
 0.67A 3aicE-2ylkA:
undetectable		 3aicE-2ylkA:
10.60
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.
2ztg ALANYL-TRNA
SYNTHETASE

(Archaeoglobus
fulgidus) 		PF01411
(tRNA-synt_2c)
PF07973
(tRNA_SAD) 		3 LEU A  13
TRP A 162
TYR A   7
 None
 0.96A 3aicE-2ztgA:
undetectable		 3aicE-2ztgA:
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.
2zzr UNSATURATED
GLUCURONYL HYDROLASE

(Streptococcus
agalactiae) 		PF07470
(Glyco_hydro_88) 		3 LEU A 283
TRP A 245
TYR A 278
 None
 0.99A 3aicE-2zzrA:
undetectable		 3aicE-2zzrA:
18.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3aib GLUCOSYLTRANSFERASE-
SI

(Streptococcus
mutans) 		PF02324
(Glyco_hydro_70) 		3 LEU A 434
TRP A 517
TYR A 916
 None
 0.17A 3aicE-3aibA:
71.0		 3aicE-3aibA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ayf NITRIC OXIDE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00115
(COX1) 		3 LEU A 325
TRP A 409
TYR A 343
 None
 0.99A 3aicE-3ayfA:
undetectable		 3aicE-3ayfA:
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.
3cs1 FLAGELLAR
CALCIUM-BINDING
PROTEIN

(Trypanosoma
cruzi) 		PF13202
(EF-hand_5)
PF13499
(EF-hand_7) 		3 LEU A 101
TRP A 192
TYR A 125
 None
 0.99A 3aicE-3cs1A:
undetectable		 3aicE-3cs1A:
14.10
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.
3d3a BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01301
(Glyco_hydro_35) 		3 LEU A 141
TRP A 131
TYR A 147
 None
 0.97A 3aicE-3d3aA:
3.3		 3aicE-3d3aA:
20.56
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.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		3 LEU A  23
TRP A   5
TYR A  29
 None
 0.94A 3aicE-3dfrA:
undetectable		 3aicE-3dfrA:
12.76
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.
3fle SE_1780 PROTEIN

(Staphylococcus
epidermidis) 		PF06028
(DUF915) 		3 LEU A 126
TRP A 121
TYR A 157
 None
 0.95A 3aicE-3fleA:
undetectable		 3aicE-3fleA:
15.60
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.
3fyb PROTEIN OF UNKNOWN
FUNCTION (DUF1244)

(Alcanivorax
borkumensis) 		PF06844
(DUF1244) 		3 LEU A  61
TRP A  49
TYR A  63
 None
 0.72A 3aicE-3fybA:
undetectable		 3aicE-3fybA:
8.59
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.
3gm8 GLYCOSIDE HYDROLASE
FAMILY 2, CANDIDATE
BETA-GLYCOSIDASE

(Bacteroides
vulgatus) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		3 LEU A 135
TRP A 115
TYR A 133
 None
 1.01A 3aicE-3gm8A:
3.2		 3aicE-3gm8A:
22.73
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.
3h0g DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Schizosaccharomyces
pombe) 		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)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		3 LEU B  30
TRP B 665
TYR B 800
 None
 0.93A 3aicE-3h0gB:
undetectable		 3aicE-3h0gB:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3j6d PROTEIN PRGH

(Salmonella
enterica) 		PF09480
(PrgH) 		3 LEU A 275
TRP A 235
TYR A 245
 None
 0.94A 3aicE-3j6dA:
undetectable		 3aicE-3j6dA:
18.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jru PROBABLE CYTOSOL
AMINOPEPTIDASE

(Xanthomonas
oryzae) 		no annotation 3 LEU B 422
TRP B 436
TYR B 418
 None
 0.91A 3aicE-3jruB:
undetectable		 3aicE-3jruB:
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.
3m5k PUTATIVE NADH
DEHYDROGENASE/NAD(P)
H NITROREDUCTASE

(Parabacteroides
distasonis) 		PF00881
(Nitroreductase) 		3 LEU A  90
TRP A 140
TYR A 146
 None
FMN  A 301 (-3.8A)
None
 0.99A 3aicE-3m5kA:
undetectable		 3aicE-3m5kA:
13.36
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.
3m8l CAPSID PROTEIN

(Feline
calicivirus) 		PF00915
(Calici_coat) 		3 LEU A 527
TRP A 383
TYR A 467
 None
 0.98A 3aicE-3m8lA:
undetectable		 3aicE-3m8lA:
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.
3onm TRANSCRIPTIONAL
REGULATOR LRHA

(Yersinia
pseudotuberculosis) 		PF03466
(LysR_substrate) 		3 LEU A 247
TRP A 173
TYR A 179
 None
 0.93A 3aicE-3onmA:
undetectable		 3aicE-3onmA:
14.61
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.
3pv6 IG-LIKE
DOMAIN-CONTAINING
PROTEIN
DKFZP686O24166/DKFZP
686I21167

(Homo sapiens) 		PF07654
(C1-set) 		3 LEU A  40
TRP A  67
TYR A 169
 None
 0.99A 3aicE-3pv6A:
undetectable		 3aicE-3pv6A:
14.29
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.
3qt2 INTERLEUKIN-5
RECEPTOR SUBUNIT
ALPHA

(Homo sapiens) 		PF09240
(IL6Ra-bind) 		3 LEU A 151
TRP A 177
TYR A 153
 None
BGC  A 318 (-3.9A)
None
 0.97A 3aicE-3qt2A:
undetectable		 3aicE-3qt2A:
16.39
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.
3r97 MALONYL COA-ACP
TRANSACYLASE

(Xanthomonas
oryzae) 		PF00698
(Acyl_transf_1) 		3 LEU A  21
TRP A  76
TYR A 305
 None
 0.79A 3aicE-3r97A:
undetectable		 3aicE-3r97A:
18.66
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.
3v0a NTNH

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07953
(Toxin_R_bind_N)
PF08470
(NTNH_C) 		3 LEU B 516
TRP B 591
TYR B 533
 None
 0.93A 3aicE-3v0aB:
undetectable		 3aicE-3v0aB:
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.
3vuo NTNHA

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07953
(Toxin_R_bind_N)
PF08470
(NTNH_C) 		3 LEU A 516
TRP A 591
TYR A 533
 None
 1.00A 3aicE-3vuoA:
undetectable		 3aicE-3vuoA:
22.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4amc GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70) 		3 LEU A 981
TRP A1063
TYR A1470
 None
 0.30A 3aicE-4amcA:
61.6		 3aicE-4amcA:
44.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ayg GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70) 		3 LEU A 818
TRP A 852
TYR A 824
 None
 0.99A 3aicE-4aygA:
55.7		 3aicE-4aygA:
43.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ayg GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70) 		3 LEU A 982
TRP A1065
TYR A1465
 None
None
GOL  A2773 ( 4.1A)
 0.33A 3aicE-4aygA:
55.7		 3aicE-4aygA:
43.17
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.
4c90 ALPHA-GLUCURONIDASE
GH115

(Bacteroides
ovatus) 		PF15979
(Glyco_hydro_115) 		3 LEU A 447
TRP A 481
TYR A 451
 None
 0.94A 3aicE-4c90A:
3.1		 3aicE-4c90A:
22.23
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.
4dkl MU-TYPE OPIOID
RECEPTOR, LYSOZYME
CHIMERA

(Escherichia
virus T4;
Mus musculus) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		3 LEU A  74
TRP A 318
TYR A 326
 None
None
BF0  A 601 (-3.8A)
 0.81A 3aicE-4dklA:
undetectable		 3aicE-4dklA:
18.28
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.
4e21 6-PHOSPHOGLUCONATE
DEHYDROGENASE
(DECARBOXYLATING)

(Geobacter
metallireducens) 		PF00393
(6PGD)
PF03446
(NAD_binding_2) 		3 LEU A 301
TRP A 286
TYR A 196
 None
None
MRD  A 401 (-4.5A)
 1.00A 3aicE-4e21A:
undetectable		 3aicE-4e21A:
17.63
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.
4ee9 ENDOGLUCANASE

(uncultured
bacterium) 		PF00150
(Cellulase) 		3 LEU A 302
TRP A 255
TYR A 275
 None
 0.98A 3aicE-4ee9A:
4.7		 3aicE-4ee9A:
17.73
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.
4egt MAJOR CAPSID PROTEIN
VP60

(Rabbit
hemorrhagic
disease virus) 		PF00915
(Calici_coat) 		3 LEU A 528
TRP A 278
TYR A 533
 None
 0.93A 3aicE-4egtA:
undetectable		 3aicE-4egtA:
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.
4exn INTERLEUKIN-34

(Mus musculus) 		PF15036
(IL34) 		3 LEU A 165
TRP A 116
TYR A  53
 None
 0.92A 3aicE-4exnA:
undetectable		 3aicE-4exnA:
12.23
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.
4i6v AMIDOHYDROLASE 2

(Planctopirus
limnophila) 		PF02614
(UxaC) 		3 LEU A 419
TRP A 382
TYR A 371
 None
 0.77A 3aicE-4i6vA:
2.2		 3aicE-4i6vA:
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.
4igl YENB

(Yersinia
entomophaga) 		PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN) 		3 LEU A 679
TRP A 706
TYR A 723
 None
 0.91A 3aicE-4iglA:
undetectable		 3aicE-4iglA:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4igm 2-AMINO-3-CARBOXYMUC
ONATE-6-SEMIALDEHYDE
DECARBOXYLASE

(Homo sapiens) 		PF04909
(Amidohydro_2) 		3 LEU A  73
TRP A  54
TYR A 292
 None
 0.96A 3aicE-4igmA:
undetectable		 3aicE-4igmA:
16.84
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.
4inz SOLUBLE EPOXIDE
HYDROLASE

(Bacillus
megaterium) 		PF00561
(Abhydrolase_1) 		3 LEU A  13
TRP A  37
TYR A  58
 None
 0.98A 3aicE-4inzA:
undetectable		 3aicE-4inzA:
16.71
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.
4j7m PROTEIN DOM3Z

(Mus musculus) 		PF08652
(RAI1) 		3 LEU A  54
TRP A 109
TYR A 216
 None
 1.00A 3aicE-4j7mA:
undetectable		 3aicE-4j7mA:
18.58
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.
4k2u ANTIBODY HEAVY CHAIN
ANTIBODY LIGHT CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		3 LEU L  46
TRP L  96
TYR H  96
 None
SO4  H 303 (-3.7A)
None
 0.95A 3aicE-4k2uL:
undetectable		 3aicE-4k2uL:
14.27
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.
4m8u OLIGO-1,6-GLUCOSIDAS
E 1

(Bacillus
subtilis) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		3 LEU A  29
TRP A 441
TYR A  71
 None
 0.96A 3aicE-4m8uA:
7.5		 3aicE-4m8uA:
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.
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF00496
(SBP_bac_5) 		3 LEU A  56
TRP A 544
TYR A  30
 None
BMA  A 604 ( 4.0A)
None
 0.86A 3aicE-4pfwA:
undetectable		 3aicE-4pfwA:
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.
4pxn UNCHARACTERIZED
PROTEIN

(Zea mays) 		PF00171
(Aldedh) 		3 LEU A 131
TRP A 174
TYR A 486
 None
 0.99A 3aicE-4pxnA:
undetectable		 3aicE-4pxnA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qpm MITOTIC CHECKPOINT
SERINE/THREONINE-PRO
TEIN KINASE BUB1

(Homo sapiens) 		PF00069
(Pkinase) 		3 LEU A1036
TRP A 982
TYR A 988
 None
 0.99A 3aicE-4qpmA:
undetectable		 3aicE-4qpmA:
16.98
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.
4rws C-X-C CHEMOKINE
RECEPTOR TYPE
4/ENDOLYSIN CHIMERIC
PROTEIN

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme)
PF12109
(CXCR4_N) 		3 LEU A  80
TRP A 125
TYR A  76
 None
 0.96A 3aicE-4rwsA:
undetectable		 3aicE-4rwsA:
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.
4s3n 2'-5'-OLIGOADENYLATE
SYNTHASE 3

(Homo sapiens) 		PF10421
(OAS1_C) 		3 LEU A 284
TRP A 303
TYR A 167
 None
 0.99A 3aicE-4s3nA:
undetectable		 3aicE-4s3nA:
16.77
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.
4uy4 SPINDLIN-4

(Homo sapiens) 		PF02513
(Spin-Ssty) 		3 LEU A 172
TRP A 133
TYR A 161
 None
 0.89A 3aicE-4uy4A:
undetectable		 3aicE-4uy4A:
13.15
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.
4wj3 ASPARTYL/GLUTAMYL-TR
NA(ASN/GLN)
AMIDOTRANSFERASE
SUBUNIT B

(Pseudomonas
aeruginosa) 		PF02637
(GatB_Yqey)
PF02934
(GatB_N) 		3 LEU B 320
TRP B 346
TYR B 329
 None
 0.95A 3aicE-4wj3B:
undetectable		 3aicE-4wj3B:
18.31
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.
4wx6 PROTEASE

(Human
mastadenovirus
D) 		PF00770
(Peptidase_C5) 		3 LEU A 178
TRP A  55
TYR A 184
 None
3VK  A 301 (-3.7A)
None
 0.94A 3aicE-4wx6A:
undetectable		 3aicE-4wx6A:
13.41
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.
4x1z VP1

(Rabbit
hemorrhagic
disease virus) 		PF00915
(Calici_coat) 		3 LEU A 528
TRP A 278
TYR A 533
 None
 0.93A 3aicE-4x1zA:
undetectable		 3aicE-4x1zA:
17.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xdo LYSINE-SPECIFIC
DEMETHYLASE 4C

(Homo sapiens) 		PF02373
(JmjC)
PF02375
(JmjN) 		3 LEU A 119
TRP A 210
TYR A 123
 None
 0.93A 3aicE-4xdoA:
undetectable		 3aicE-4xdoA:
17.10
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.
4y21 PROTEIN UNC-13
HOMOLOG A

(Rattus
norvegicus) 		PF06292
(DUF1041)
PF10540
(Membr_traf_MHD) 		3 LEU A  85
TRP A 169
TYR A  89
 None
 0.88A 3aicE-4y21A:
undetectable		 3aicE-4y21A:
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.
4ypj BETA GALACTOSIDASE

(Bacillus
circulans) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		3 LEU A 348
TRP A 186
TYR A 193
 None
 1.01A 3aicE-4ypjA:
2.2		 3aicE-4ypjA:
24.40
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.
4yrd CAPSULAR
POLYSACCHARIDE
SYNTHESIS ENZYME
CAP5F

(Staphylococcus
aureus) 		PF01370
(Epimerase) 		3 LEU A 133
TRP A 137
TYR A 172
 None
 0.82A 3aicE-4yrdA:
undetectable		 3aicE-4yrdA:
19.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a2a APO FORM OF
ANOXYBACILLUS
ALPHA-AMYLASES

(Anoxybacillus
ayderensis) 		PF00128
(Alpha-amylase) 		3 LEU A 180
TRP A 244
TYR A 100
 None
None
ACT  A1479 (-3.9A)
 0.89A 3aicE-5a2aA:
9.9		 3aicE-5a2aA:
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.
5cw2 PUTATIVE EPOXIDE
HYDROLASE EPHA

(Mycolicibacterium
thermoresistibile) 		no annotation 3 LEU C  16
TRP C  42
TYR C  64
 None
 0.92A 3aicE-5cw2C:
undetectable		 3aicE-5cw2C:
16.88
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.
5erm FUSICOCCADIENE
SYNTHASE

(Diaporthe
amygdali) 		no annotation 3 LEU A 214
TRP A 162
TYR A 305
 None
 1.01A 3aicE-5ermA:
undetectable		 3aicE-5ermA:
17.00
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.
5euf PROTEASE

(Helicobacter
pylori) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		3 LEU A  80
TRP A 187
TYR A 211
 None
 0.97A 3aicE-5eufA:
undetectable		 3aicE-5eufA:
19.03
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.
5fir 5'-3'
EXORIBONUCLEASE 2
HOMOLOG

(Caenorhabditis
elegans) 		PF03159
(XRN_N) 		3 LEU A 346
TRP A 566
TYR A 592
 None
 0.89A 3aicE-5firA:
undetectable		 3aicE-5firA:
23.07
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.
5ixg YCEI

(Burkholderia
cenocepacia) 		no annotation 3 LEU B 151
TRP B  31
TYR B 153
 PEG  B 202 (-4.6A)
OTP  B 201 ( 4.6A)
OTP  B 201 ( 4.0A)
 0.90A 3aicE-5ixgB:
undetectable		 3aicE-5ixgB:
12.76
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.
5j5u RAGB/SUSD DOMAIN
PROTEIN

(Flavobacterium
johnsoniae) 		PF12771
(SusD-like_2) 		3 LEU A  60
TRP A  74
TYR A  62
 None
 0.96A 3aicE-5j5uA:
undetectable		 3aicE-5j5uA:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m6p TYROCIDINE SYNTHASE
2

(Brevibacillus
parabrevis) 		no annotation 3 LEU A3457
TRP A3315
TYR A3302
 None
 0.89A 3aicE-5m6pA:
undetectable		 3aicE-5m6pA:
6.71
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.
5mhf MANNOSYL-OLIGOSACCHA
RIDE GLUCOSIDASE

(Mus musculus) 		no annotation 3 LEU A 686
TRP A 720
TYR A 688
 None
 1.00A 3aicE-5mhfA:
undetectable		 3aicE-5mhfA:
6.52
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.
5mrj BETA-XYLANASE

(Acremonium
chrysogenum) 		no annotation 3 LEU A 122
TRP A 362
TYR A 115
 None
 1.00A 3aicE-5mrjA:
5.0		 3aicE-5mrjA:
6.32
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.
5myv SRSF PROTEIN KINASE
2,SRSF PROTEIN
KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		3 LEU A 212
TRP A 547
TYR A 214
 None
 0.97A 3aicE-5myvA:
undetectable		 3aicE-5myvA:
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.
5mz9 -

(-) 		no annotation 3 LEU A 207
TRP A 220
TYR A 510
 None
 0.73A 3aicE-5mz9A:
undetectable		 3aicE-5mz9A:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ngy DSR-M GLUCANSUCRASE
INACTIVE MUTANT
E715Q

(Leuconostoc
citreum) 		no annotation 3 LEU A 630
TRP A 717
TYR A1127
 None
 0.31A 3aicE-5ngyA:
57.9		 3aicE-5ngyA:
39.64
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.
5ue8 PROTEIN UNC-13
HOMOLOG A

(Rattus
norvegicus) 		PF00130
(C1_1)
PF00168
(C2)
PF06292
(DUF1041)
PF10540
(Membr_traf_MHD) 		3 LEU A1017
TRP A1101
TYR A1021
 None
 0.88A 3aicE-5ue8A:
undetectable		 3aicE-5ue8A:
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.
5vj1 MDCA

(Pseudomonas
aeruginosa) 		PF16957
(Mal_decarbox_Al) 		3 LEU A 337
TRP A 289
TYR A 321
 None
 0.96A 3aicE-5vj1A:
undetectable		 3aicE-5vj1A:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xju SMALL NUCLEAR
RIBONUCLEOPROTEIN E

(Homo sapiens) 		no annotation 3 LEU E  56
TRP E  34
TYR E  24
 None
 0.90A 3aicE-5xjuE:
undetectable		 3aicE-5xjuE:
7.20
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.
5y5w SPINDLIN-1

(Homo sapiens) 		no annotation 3 LEU A 190
TRP A 151
TYR A 179
 None
 0.84A 3aicE-5y5wA:
undetectable		 3aicE-5y5wA:
15.08
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.
6c93 CYTOCHROME P450 4B1

(Oryctolagus
cuniculus) 		no annotation 3 LEU A 199
TRP A 163
TYR A 207
 None
 0.84A 3aicE-6c93A:
undetectable		 3aicE-6c93A:
7.59
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.
6eon BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		no annotation 3 LEU A 141
TRP A 131
TYR A 147
 None
 0.95A 3aicE-6eonA:
4.2		 3aicE-6eonA:
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.
6exv DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Sus scrofa) 		no annotation 3 LEU B  39
TRP B 653
TYR B 766
 None
 0.99A 3aicE-6exvB:
undetectable		 3aicE-6exvB:
6.91
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.
6fwf NITRIC-OXIDE
REDUCTASE

(Neisseria
meningitidis) 		no annotation 3 LEU A 627
TRP A 704
TYR A 623
 None
 0.99A 3aicE-6fwfA:
undetectable		 3aicE-6fwfA:
6.68