SIMILAR PATTERNS OF AMINO ACIDS FOR 4AFG_C_QMRC1214

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.
1edg ENDOGLUCANASE A

([Clostridium]
cellulolyticum) 		PF00150
(Cellulase) 		4 VAL A 253
TYR A 256
CYH A 257
ILE A 292
 None
 1.01A 4afgD-1edgA:
0.0
4afgE-1edgA:
0.0		 4afgD-1edgA:
20.51
4afgE-1edgA:
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.
1fx2 RECEPTOR-TYPE
ADENYLATE CYCLASE
GRESAG 4.1

(Trypanosoma
brucei) 		PF00211
(Guanylate_cyc) 		4 VAL A 932
TYR A 939
CYH A 941
ILE A 903
 None
 0.93A 4afgD-1fx2A:
0.0
4afgE-1fx2A:
0.0		 4afgD-1fx2A:
21.18
4afgE-1fx2A:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1inl SPERMIDINE SYNTHASE

(Thermotoga
maritima) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 TYR A 188
CYH A 191
ILE A 168
ILE A  97
 None
 0.97A 4afgD-1inlA:
0.0
4afgE-1inlA:
0.0		 4afgD-1inlA:
21.05
4afgE-1inlA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mjf SPERMIDINE SYNTHASE

(Pyrococcus
furiosus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 VAL A 189
TYR A 175
ILE A 187
ILE A 155
 None
 0.89A 4afgD-1mjfA:
0.0
4afgE-1mjfA:
0.0		 4afgD-1mjfA:
20.33
4afgE-1mjfA:
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.
1p8r ARGINASE 1

(Rattus
norvegicus) 		PF00491
(Arginase) 		4 VAL A 145
CYH A 168
ILE A 174
ILE A 108
 None
 0.92A 4afgD-1p8rA:
0.0
4afgE-1p8rA:
0.0		 4afgD-1p8rA:
23.51
4afgE-1p8rA:
23.51
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.
1q9j POLYKETIDE SYNTHASE
ASSOCIATED PROTEIN 5

(Mycobacterium
tuberculosis) 		PF00668
(Condensation)
PF16911
(PapA_C) 		4 VAL A 240
TYR A 264
CYH A 344
ILE A 245
 None
 1.04A 4afgD-1q9jA:
0.0
4afgE-1q9jA:
0.0		 4afgD-1q9jA:
18.86
4afgE-1q9jA:
18.86
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.
1tlf LAC REPRESSOR

(Escherichia
coli) 		PF13377
(Peripla_BP_3) 		4 VAL A 150
CYH A 107
ILE A 156
ILE A 124
 None
 1.02A 4afgD-1tlfA:
0.0
4afgE-1tlfA:
0.0		 4afgD-1tlfA:
22.33
4afgE-1tlfA:
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.
1u2v ARP2/3 COMPLEX 34KDA
SUBUNIT

(Bos taurus) 		PF04045
(P34-Arc) 		4 CYH D 120
TYR D  80
ILE D  11
ILE D  59
 None
 0.94A 4afgD-1u2vD:
0.0
4afgE-1u2vD:
0.0		 4afgD-1u2vD:
21.79
4afgE-1u2vD:
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.
1xt8 PUTATIVE AMINO-ACID
TRANSPORTER
PERIPLASMIC
SOLUTE-BINDING
PROTEIN

(Campylobacter
jejuni) 		PF00497
(SBP_bac_3) 		4 TYR A  45
TYR A 106
ILE A  24
ILE A  47
 None
 1.04A 4afgD-1xt8A:
0.0
4afgE-1xt8A:
0.0		 4afgD-1xt8A:
23.91
4afgE-1xt8A:
23.91
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.
2a3l AMP DEAMINASE

(Arabidopsis
thaliana) 		PF00962
(A_deaminase) 		4 TYR A 631
CYH A 635
ILE A 545
ILE A 570
 None
 0.95A 4afgD-2a3lA:
undetectable
4afgE-2a3lA:
undetectable		 4afgD-2a3lA:
15.61
4afgE-2a3lA:
15.61
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.
2av5 RIBONUCLEASE P
PROTEIN COMPONENT 2

(Pyrococcus
furiosus) 		PF01900
(RNase_P_Rpp14) 		4 VAL A  77
CYH A  42
ILE A  81
ILE A  70
 None
 0.87A 4afgD-2av5A:
undetectable
4afgE-2av5A:
undetectable		 4afgD-2av5A:
21.27
4afgE-2av5A:
21.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bsx PURINE NUCLEOSIDE
PHOSPHORYLASE

(Plasmodium
falciparum) 		PF01048
(PNP_UDP_1) 		4 VAL A  33
TYR A  54
CYH A  52
ILE A  31
 None
 0.93A 4afgD-2bsxA:
undetectable
4afgE-2bsxA:
undetectable		 4afgD-2bsxA:
21.62
4afgE-2bsxA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c5a GDP-MANNOSE-3',
5'-EPIMERASE

(Arabidopsis
thaliana) 		PF01370
(Epimerase) 		4 VAL A  95
CYH A 196
ILE A 135
ILE A 127
 None
 1.02A 4afgD-2c5aA:
undetectable
4afgE-2c5aA:
undetectable		 4afgD-2c5aA:
19.63
4afgE-2c5aA:
19.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2csu 457AA LONG
HYPOTHETICAL PROTEIN

(Pyrococcus
horikoshii) 		PF13380
(CoA_binding_2)
PF13607
(Succ_CoA_lig) 		4 VAL A  77
CYH A  84
ILE A  94
ILE A  14
 None
 0.89A 4afgD-2csuA:
undetectable
4afgE-2csuA:
undetectable		 4afgD-2csuA:
20.50
4afgE-2csuA:
20.50
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.
2dj2 PROTEIN
DISULFIDE-ISOMERASE
A4

(Mus musculus) 		PF00085
(Thioredoxin) 		4 VAL A  29
TYR A  46
ILE A  27
ILE A  87
 None
 0.94A 4afgD-2dj2A:
undetectable
4afgE-2dj2A:
undetectable		 4afgD-2dj2A:
17.03
4afgE-2dj2A:
17.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2esf CARBONIC ANHYDRASE 2

(Escherichia
coli) 		PF00484
(Pro_CA) 		4 VAL A 155
CYH A  77
ILE A 176
ILE A  40
 None
 0.71A 4afgD-2esfA:
undetectable
4afgE-2esfA:
undetectable		 4afgD-2esfA:
21.86
4afgE-2esfA:
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.
2fpr HISTIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
HISB

(Escherichia
coli) 		PF08645
(PNK3P) 		4 VAL A  91
TYR A 115
ILE A  93
ILE A  54
 None
 1.02A 4afgD-2fprA:
undetectable
4afgE-2fprA:
undetectable		 4afgD-2fprA:
20.34
4afgE-2fprA:
20.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gv8 MONOOXYGENASE

(Schizosaccharomyces
pombe) 		PF00743
(FMO-like)
PF13450
(NAD_binding_8) 		4 VAL A 228
TYR A  85
ILE A 239
ILE A 285
 None
 1.02A 4afgD-2gv8A:
undetectable
4afgE-2gv8A:
undetectable		 4afgD-2gv8A:
18.67
4afgE-2gv8A:
18.67
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.
2i3d HYPOTHETICAL PROTEIN
ATU1826

(Agrobacterium
fabrum) 		PF02129
(Peptidase_S15) 		4 VAL A  46
CYH A 203
ILE A  30
ILE A 130
 None
 0.98A 4afgD-2i3dA:
undetectable
4afgE-2i3dA:
undetectable		 4afgD-2i3dA:
22.26
4afgE-2i3dA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nmm 14 KDA
PHOSPHOHISTIDINE
PHOSPHATASE

(Homo sapiens) 		PF05005
(Ocnus) 		4 VAL A  60
CYH A  69
ILE A  25
ILE A   9
 None
 1.04A 4afgD-2nmmA:
undetectable
4afgE-2nmmA:
undetectable		 4afgD-2nmmA:
19.72
4afgE-2nmmA:
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.
2ph7 UNCHARACTERIZED
PROTEIN AF_2093

(Archaeoglobus
fulgidus) 		no annotation 4 VAL A 168
TYR A 167
ILE A 170
ILE A 198
 None
 1.05A 4afgD-2ph7A:
undetectable
4afgE-2ph7A:
undetectable		 4afgD-2ph7A:
20.51
4afgE-2ph7A:
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.
2pyy IONOTROPIC GLUTAMATE
RECEPTOR BACTERIAL
HOMOLOGUE

(Nostoc
punctiforme) 		PF00497
(SBP_bac_3) 		4 VAL A  94
TYR A 163
ILE A  92
ILE A 174
 None
 0.67A 4afgD-2pyyA:
undetectable
4afgE-2pyyA:
undetectable		 4afgD-2pyyA:
24.11
4afgE-2pyyA:
24.11
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.
2qw8 EUGENOL SYNTHASE 1

(Ocimum
basilicum) 		PF05368
(NmrA) 		4 VAL A 174
TYR A 175
ILE A 172
ILE A 237
 None
 1.03A 4afgD-2qw8A:
undetectable
4afgE-2qw8A:
undetectable		 4afgD-2qw8A:
18.57
4afgE-2qw8A:
18.57
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.
2ro0 HISTONE
ACETYLTRANSFERASE
ESA1

(Saccharomyces
cerevisiae) 		PF11717
(Tudor-knot) 		4 VAL A  18
CYH A  25
ILE A  72
ILE A  15
 None
 0.96A 4afgD-2ro0A:
undetectable
4afgE-2ro0A:
undetectable		 4afgD-2ro0A:
16.67
4afgE-2ro0A:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vdc GLUTAMATE SYNTHASE
[NADPH] SMALL CHAIN

(Azospirillum
brasilense) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		4 TRP G  68
VAL G 123
CYH G 104
ILE G  65
 None
None
SF4  G 482 (-2.4A)
SF4  G 483 (-4.7A)
 0.98A 4afgD-2vdcG:
undetectable
4afgE-2vdcG:
undetectable		 4afgD-2vdcG:
17.60
4afgE-2vdcG:
17.60
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.
2xh6 HEAT-LABILE
ENTEROTOXIN B CHAIN

(Clostridium
perfringens) 		PF03505
(Clenterotox) 		5 VAL A  81
TYR A 136
TYR A 156
ILE A  96
ILE A 108
 None
 1.27A 4afgD-2xh6A:
undetectable
4afgE-2xh6A:
undetectable		 4afgD-2xh6A:
21.43
4afgE-2xh6A:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zsu SPERMIDINE SYNTHASE

(Pyrococcus
horikoshii) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 VAL A 192
TYR A 178
ILE A 190
ILE A 158
 None
 0.87A 4afgD-2zsuA:
undetectable
4afgE-2zsuA:
undetectable		 4afgD-2zsuA:
19.93
4afgE-2zsuA:
19.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cqy ANHYDRO-N-ACETYLMURA
MIC ACID KINASE

(Shewanella
oneidensis) 		PF03702
(AnmK) 		4 VAL A 129
TYR A   6
ILE A 121
ILE A 127
 None
 1.00A 4afgD-3cqyA:
undetectable
4afgE-3cqyA:
undetectable		 4afgD-3cqyA:
21.52
4afgE-3cqyA:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cs3 SUGAR-BINDING
TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY

(Enterococcus
faecalis) 		PF13377
(Peripla_BP_3) 		4 VAL A  64
TYR A  65
ILE A  62
ILE A  93
 None
 1.03A 4afgD-3cs3A:
undetectable
4afgE-3cs3A:
undetectable		 4afgD-3cs3A:
25.24
4afgE-3cs3A:
25.24
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.
3cvr INVASION PLASMID
ANTIGEN

(Shigella
flexneri) 		PF12468
(TTSSLRR)
PF14496
(NEL) 		4 VAL A 198
CYH A 214
ILE A 210
ILE A 235
 None
 0.84A 4afgD-3cvrA:
undetectable
4afgE-3cvrA:
undetectable		 4afgD-3cvrA:
16.43
4afgE-3cvrA:
16.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fe2 PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX5

(Homo sapiens) 		PF00270
(DEAD) 		4 VAL A 183
TYR A 190
CYH A 191
ILE A 220
 None
 1.06A 4afgD-3fe2A:
0.0
4afgE-3fe2A:
undetectable		 4afgD-3fe2A:
19.10
4afgE-3fe2A:
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.
3gyc PUTATIVE GLYCOSIDE
HYDROLASE

(Parabacteroides
distasonis) 		PF12876
(Cellulase-like) 		4 TRP A 366
VAL A 328
CYH A 332
ILE A  45
 None
 0.96A 4afgD-3gycA:
undetectable
4afgE-3gycA:
undetectable		 4afgD-3gycA:
21.16
4afgE-3gycA:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hps 2-ISOPROPYLMALATE
SYNTHASE

(Mycobacterium
tuberculosis) 		PF00682
(HMGL-like)
PF08502
(LeuA_dimer) 		4 VAL A 142
CYH A  75
ILE A 140
ILE A 165
 None
 0.99A 4afgD-3hpsA:
undetectable
4afgE-3hpsA:
undetectable		 4afgD-3hpsA:
16.04
4afgE-3hpsA:
16.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hps 2-ISOPROPYLMALATE
SYNTHASE

(Mycobacterium
tuberculosis) 		PF00682
(HMGL-like)
PF08502
(LeuA_dimer) 		4 VAL A 142
CYH A  75
ILE A 140
ILE A 165
 None
 1.00A 4afgD-3hpsA:
undetectable
4afgE-3hpsA:
undetectable		 4afgD-3hpsA:
16.04
4afgE-3hpsA:
16.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hpx 2-ISOPROPYLMALATE
SYNTHASE

(Mycobacterium
tuberculosis) 		PF00682
(HMGL-like) 		4 VAL A 142
CYH A  75
ILE A 140
ILE A 165
 None
 0.99A 4afgD-3hpxA:
undetectable
4afgE-3hpxA:
undetectable		 4afgD-3hpxA:
17.99
4afgE-3hpxA:
17.99
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.
3hpx 2-ISOPROPYLMALATE
SYNTHASE

(Mycobacterium
tuberculosis) 		PF00682
(HMGL-like) 		4 VAL A 142
CYH A  75
ILE A 140
ILE A 165
 None
 1.03A 4afgD-3hpxA:
undetectable
4afgE-3hpxA:
undetectable		 4afgD-3hpxA:
17.99
4afgE-3hpxA:
17.99
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.
3iau THREONINE DEAMINASE

(Solanum
lycopersicum) 		PF00291
(PALP) 		4 VAL A 241
CYH A 284
ILE A 239
ILE A 222
 None
 0.92A 4afgD-3iauA:
undetectable
4afgE-3iauA:
undetectable		 4afgD-3iauA:
19.95
4afgE-3iauA:
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.
3iuy PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX53

(Homo sapiens) 		PF00270
(DEAD) 		4 VAL A 273
CYH A 214
ILE A 257
ILE A 264
 None
 0.98A 4afgD-3iuyA:
undetectable
4afgE-3iuyA:
undetectable		 4afgD-3iuyA:
22.93
4afgE-3iuyA:
22.93
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.
3ju7 PUTATIVE
PLP-DEPENDENT
AMINOTRANSFERASE

(Bacillus cereus) 		PF01041
(DegT_DnrJ_EryC1) 		4 TRP A 119
TYR A 147
ILE A 104
ILE A 122
 None
 1.06A 4afgD-3ju7A:
undetectable
4afgE-3ju7A:
undetectable		 4afgD-3ju7A:
19.39
4afgE-3ju7A:
19.39
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.
3k21 CALCIUM-DEPENDENT
PROTEIN KINASE 3

(Plasmodium
falciparum) 		PF13499
(EF-hand_7) 		4 VAL A 133
TYR A 125
ILE A 147
ILE A 139
 None
 0.97A 4afgD-3k21A:
undetectable
4afgE-3k21A:
undetectable		 4afgD-3k21A:
20.82
4afgE-3k21A:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lmz PUTATIVE SUGAR
ISOMERASE

(Parabacteroides
distasonis) 		PF01261
(AP_endonuc_2) 		4 VAL A 144
TYR A 151
ILE A 184
ILE A 132
 None
PEG  A   2 ( 4.1A)
None
None
 1.05A 4afgD-3lmzA:
undetectable
4afgE-3lmzA:
undetectable		 4afgD-3lmzA:
21.15
4afgE-3lmzA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m2p UDP-N-ACETYLGLUCOSAM
INE 4-EPIMERASE

(Bacillus cereus) 		PF01370
(Epimerase) 		4 VAL A  65
TYR A  91
CYH A  94
ILE A   3
 None
 0.79A 4afgD-3m2pA:
undetectable
4afgE-3m2pA:
undetectable		 4afgD-3m2pA:
24.47
4afgE-3m2pA:
24.47
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.
3o4f SPERMIDINE SYNTHASE

(Escherichia
coli) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 TYR A 175
CYH A 178
ILE A 156
ILE A  84
 None
 0.84A 4afgD-3o4fA:
undetectable
4afgE-3o4fA:
undetectable		 4afgD-3o4fA:
18.39
4afgE-3o4fA:
18.39
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.
3o4f SPERMIDINE SYNTHASE

(Escherichia
coli) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 VAL A 189
TYR A 175
ILE A 187
ILE A 155
 None
 0.74A 4afgD-3o4fA:
undetectable
4afgE-3o4fA:
undetectable		 4afgD-3o4fA:
18.39
4afgE-3o4fA:
18.39
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.
3o80 HEXOKINASE

(Kluyveromyces
lactis) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		4 VAL A 396
CYH A 403
ILE A 437
ILE A 450
 None
 1.02A 4afgD-3o80A:
undetectable
4afgE-3o80A:
undetectable		 4afgD-3o80A:
19.10
4afgE-3o80A:
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.
3on5 BH1974 PROTEIN

(Bacillus
halodurans) 		PF02625
(XdhC_CoxI)
PF13478
(XdhC_C) 		4 VAL A 247
TYR A 271
ILE A 249
ILE A 185
 None
 0.98A 4afgD-3on5A:
undetectable
4afgE-3on5A:
undetectable		 4afgD-3on5A:
18.68
4afgE-3on5A:
18.68
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.
3p1w RABGDI PROTEIN

(Plasmodium
falciparum) 		PF00996
(GDI) 		4 TYR A 286
CYH A 287
ILE A 411
ILE A 277
 None
 1.00A 4afgD-3p1wA:
undetectable
4afgE-3p1wA:
undetectable		 4afgD-3p1wA:
18.50
4afgE-3p1wA:
18.50
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.
3pfe SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE

(Legionella
pneumophila) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 VAL A  50
TYR A 135
CYH A  57
ILE A  69
ILE A 158
 None
None
None
GOL  A 517 (-4.2A)
None
 1.12A 4afgD-3pfeA:
undetectable
4afgE-3pfeA:
undetectable		 4afgD-3pfeA:
17.99
4afgE-3pfeA:
17.99
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.
3pps LACCASE

(Thielavia
arenaria) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 VAL A 151
TYR A 138
ILE A  66
ILE A 231
 None
 1.04A 4afgD-3ppsA:
undetectable
4afgE-3ppsA:
undetectable		 4afgD-3ppsA:
18.00
4afgE-3ppsA:
18.00
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.
3sqg METHYL-COENZYME M
REDUCTASE, GAMMA
SUBUNIT

(uncultured
archaeon) 		PF02240
(MCR_gamma) 		4 TYR C 143
TYR C  87
ILE C 130
ILE C  36
 None
 0.76A 4afgD-3sqgC:
undetectable
4afgE-3sqgC:
undetectable		 4afgD-3sqgC:
20.48
4afgE-3sqgC:
20.48
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.
3t6o SULFATE
TRANSPORTER/ANTISIGM
A-FACTOR ANTAGONIST
STAS

(Planctopirus
limnophila) 		no annotation 4 VAL A  48
TYR A 106
CYH A  84
ILE A  15
 None
 1.02A 4afgD-3t6oA:
undetectable
4afgE-3t6oA:
undetectable		 4afgD-3t6oA:
22.07
4afgE-3t6oA:
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.
3tbi DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA

(Escherichia
coli) 		PF00562
(RNA_pol_Rpb2_6) 		4 VAL B 887
CYH B 838
ILE B 854
ILE B 850
 None
 0.94A 4afgD-3tbiB:
undetectable
4afgE-3tbiB:
undetectable		 4afgD-3tbiB:
20.54
4afgE-3tbiB:
20.54
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.
3th6 TRIOSEPHOSPHATE
ISOMERASE

(Rhipicephalus
microplus) 		PF00121
(TIM) 		4 VAL A 160
CYH A   7
ILE A 162
ILE A 124
 None
 1.02A 4afgD-3th6A:
undetectable
4afgE-3th6A:
undetectable		 4afgD-3th6A:
20.80
4afgE-3th6A:
20.80
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.
3ui7 CAMP AND
CAMP-INHIBITED CGMP
3',5'-CYCLIC
PHOSPHODIESTERASE
10A

(Homo sapiens) 		PF00233
(PDEase_I) 		4 VAL A 491
TYR A 538
ILE A 512
ILE A 489
 None
 0.96A 4afgD-3ui7A:
undetectable
4afgE-3ui7A:
undetectable		 4afgD-3ui7A:
19.24
4afgE-3ui7A:
19.24
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.
3v0a NTNH

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07953
(Toxin_R_bind_N)
PF08470
(NTNH_C) 		4 TYR B 660
TYR B 438
ILE B 634
ILE B 776
 None
 0.98A 4afgD-3v0aB:
undetectable
4afgE-3v0aB:
undetectable		 4afgD-3v0aB:
12.30
4afgE-3v0aB:
12.30
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.
3vkg DYNEIN HEAVY CHAIN,
CYTOPLASMIC

(Dictyostelium
discoideum) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		4 TYR A1548
CYH A1552
ILE A1646
ILE A1644
 None
 1.03A 4afgD-3vkgA:
undetectable
4afgE-3vkgA:
undetectable		 4afgD-3vkgA:
5.56
4afgE-3vkgA:
5.56
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.
3vuo NTNHA

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07953
(Toxin_R_bind_N)
PF08470
(NTNH_C) 		4 TYR A 660
TYR A 438
ILE A 634
ILE A 775
 None
 0.89A 4afgD-3vuoA:
undetectable
4afgE-3vuoA:
undetectable		 4afgD-3vuoA:
11.48
4afgE-3vuoA:
11.48
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.
3wfa ALPHA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C) 		4 VAL A 466
TYR A 327
ILE A 502
ILE A 523
 None
 1.02A 4afgD-3wfaA:
undetectable
4afgE-3wfaA:
undetectable		 4afgD-3wfaA:
16.50
4afgE-3wfaA:
16.50
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.
3wmt PROBABLE FERULOYL
ESTERASE B-1

(Aspergillus
oryzae) 		PF07519
(Tannase) 		4 TRP A 360
VAL A 365
ILE A 383
ILE A 233
 None
 1.01A 4afgD-3wmtA:
undetectable
4afgE-3wmtA:
undetectable		 4afgD-3wmtA:
16.67
4afgE-3wmtA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a2l TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE/RESPONSE

(Bacteroides
thetaiotaomicron) 		PF07494
(Reg_prop)
PF07495
(Y_Y_Y) 		4 TRP A 557
TYR A 565
ILE A 548
ILE A 591
 None
 1.05A 4afgD-4a2lA:
undetectable
4afgE-4a2lA:
undetectable		 4afgD-4a2lA:
15.08
4afgE-4a2lA:
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.
4aez MITOTIC SPINDLE
CHECKPOINT COMPONENT
MAD2

(Schizosaccharomyces
pombe) 		PF02301
(HORMA) 		4 VAL B  19
TYR B  25
ILE B 193
ILE B 128
 None
 0.99A 4afgD-4aezB:
undetectable
4afgE-4aezB:
undetectable		 4afgD-4aezB:
20.48
4afgE-4aezB:
20.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4b5d CAPITELLA TELETA
ACHBP

(Capitella
teleta) 		PF02931
(Neur_chan_LBD) 		4 TRP A 153
VAL A 154
TYR A 194
TYR A 201
 SW4  A1213 (-4.0A)
SW4  A1213 (-4.5A)
SW4  A1213 ( 3.8A)
SW4  A1213 (-3.7A)
 0.44A 4afgD-4b5dA:
33.8
4afgE-4b5dA:
34.4		 4afgD-4b5dA:
100.00
4afgE-4b5dA:
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.
4bgv MALATE DEHYDROGENASE

(Picrophilus
torridus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 VAL A 108
TYR A 115
ILE A 135
ILE A  80
 None
 1.00A 4afgD-4bgvA:
undetectable
4afgE-4bgvA:
undetectable		 4afgD-4bgvA:
22.85
4afgE-4bgvA:
22.85
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.
4e0t CYCLIC DIPEPTIDE
N-PRENYLTRANSFERASE

(Aspergillus
fumigatus) 		PF11991
(Trp_DMAT) 		4 VAL A 287
TYR A 366
ILE A 259
ILE A 289
 None
 0.95A 4afgD-4e0tA:
undetectable
4afgE-4e0tA:
undetectable		 4afgD-4e0tA:
20.93
4afgE-4e0tA:
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.
4es1 BH0342 PROTEIN

(Bacillus
halodurans) 		PF09827
(CRISPR_Cas2) 		4 VAL A  23
TYR A  30
CYH A  41
ILE A   5
 None
 0.86A 4afgD-4es1A:
undetectable
4afgE-4es1A:
undetectable		 4afgD-4es1A:
16.88
4afgE-4es1A:
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.
4f7a PUTATIVE
UNCHARACTERIZED
PROTEIN

(Bacteroides
vulgatus) 		PF12741
(SusD-like) 		4 VAL A 192
TYR A 140
ILE A 223
ILE A 145
 None
 0.96A 4afgD-4f7aA:
undetectable
4afgE-4f7aA:
undetectable		 4afgD-4f7aA:
16.44
4afgE-4f7aA:
16.44
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.
4f7h FERMITIN FAMILY
HOMOLOG 2

(Homo sapiens) 		PF00169
(PH) 		4 TYR A 395
CYH A 397
ILE A 441
ILE A 404
 None
 1.04A 4afgD-4f7hA:
undetectable
4afgE-4f7hA:
undetectable		 4afgD-4f7hA:
22.22
4afgE-4f7hA:
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.
4gd5 PHOSPHATE ABC
TRANSPORTER,
PHOSPHATE-BINDING
PROTEIN

(Clostridium
perfringens) 		PF12849
(PBP_like_2) 		4 VAL A 153
TYR A 133
ILE A 189
ILE A 182
 None
None
None
CL  A 302 ( 4.5A)
 0.96A 4afgD-4gd5A:
undetectable
4afgE-4gd5A:
undetectable		 4afgD-4gd5A:
24.07
4afgE-4gd5A:
24.07
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.
4i0w PROTEASE CSPB

(Clostridium
perfringens) 		PF00082
(Peptidase_S8) 		4 VAL B 283
CYH B 504
ILE B 281
ILE B 440
 None
 1.01A 4afgD-4i0wB:
undetectable
4afgE-4i0wB:
undetectable		 4afgD-4i0wB:
20.84
4afgE-4i0wB:
20.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i3s OUTER DOMAIN OF
HIV-1 GP120 (KER2018
OD4.2.2)

(Human
immunodeficiency
virus) 		PF00516
(GP120) 		4 TYR G 384
CYH G 418
CYH G 385
ILE G 294
 None
 0.90A 4afgD-4i3sG:
undetectable
4afgE-4i3sG:
undetectable		 4afgD-4i3sG:
20.17
4afgE-4i3sG:
20.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ixu ARGINASE-2,
MITOCHONDRIAL

(Homo sapiens) 		PF00491
(Arginase) 		4 VAL A 164
CYH A 187
ILE A 193
ILE A 127
 None
 0.98A 4afgD-4ixuA:
undetectable
4afgE-4ixuA:
undetectable		 4afgD-4ixuA:
22.26
4afgE-4ixuA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jhy HYPOTHETICAL PROTEIN

(Parabacteroides
distasonis) 		PF14730
(DUF4468) 		4 VAL A 174
CYH A 108
ILE A 115
ILE A  82
 None
 1.03A 4afgD-4jhyA:
undetectable
4afgE-4jhyA:
undetectable		 4afgD-4jhyA:
19.41
4afgE-4jhyA:
19.41
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.
4jys PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Plasmodium
vivax) 		PF00254
(FKBP_C) 		4 VAL A 149
TYR A  88
CYH A 160
ILE A 107
 None
 0.88A 4afgD-4jysA:
undetectable
4afgE-4jysA:
undetectable		 4afgD-4jysA:
21.84
4afgE-4jysA:
21.84
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.
4p5h HEAT-LABILE
ENTEROTOXIN B CHAIN

(Clostridium
perfringens) 		PF03505
(Clenterotox) 		5 VAL A  81
TYR A 136
TYR A 156
ILE A  96
ILE A 108
 None
 1.28A 4afgD-4p5hA:
undetectable
4afgE-4p5hA:
undetectable		 4afgD-4p5hA:
22.62
4afgE-4p5hA:
22.62
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.
4q8r PHOSPHATE ABC
TRANSPORTER,
PHOSPHATE-BINDING
PROTEIN

(Clostridium
perfringens) 		PF12849
(PBP_like_2) 		4 VAL A 123
TYR A 103
ILE A 159
ILE A 152
 None
 0.96A 4afgD-4q8rA:
undetectable
4afgE-4q8rA:
undetectable		 4afgD-4q8rA:
23.94
4afgE-4q8rA:
23.94
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.
4trb PURINE
PHOSPHORIBOSYLTRANSF
ERASE (GPT-1)

(Sulfolobus
solfataricus) 		PF00156
(Pribosyltran) 		4 TRP A 148
VAL A   6
TYR A 151
ILE A 190
 None
 0.99A 4afgD-4trbA:
0.9
4afgE-4trbA:
undetectable		 4afgD-4trbA:
21.54
4afgE-4trbA:
21.54
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.
4xnv P2Y PURINOCEPTOR 1,
RUBREDOXIN, P2Y
PURINOCEPTOR 1

(Clostridium
pasteurianum;
Homo sapiens) 		PF00001
(7tm_1)
PF00301
(Rubredoxin) 		4 VAL A 173
CYH A 144
ILE A 169
ILE A 171
 None
Y01  A1104 (-3.6A)
None
Y01  A1104 ( 4.6A)
 0.99A 4afgD-4xnvA:
undetectable
4afgE-4xnvA:
undetectable		 4afgD-4xnvA:
19.29
4afgE-4xnvA:
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.
5b7a SMALL
UBIQUITIN-RELATED
MODIFIER 1

(Homo sapiens) 		PF11976
(Rad60-SLD) 		4 VAL A  90
TYR A  91
ILE A  88
ILE A  27
 None
 1.04A 4afgD-5b7aA:
undetectable
4afgE-5b7aA:
undetectable		 4afgD-5b7aA:
20.00
4afgE-5b7aA:
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.
5efn HDAC6 PROTEIN

(Danio rerio) 		no annotation 4 TYR B 722
CYH B 757
ILE B 567
ILE B 739
 None
 0.82A 4afgD-5efnB:
undetectable
4afgE-5efnB:
undetectable		 4afgD-5efnB:
19.67
4afgE-5efnB:
19.67
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.
5g0h HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		4 TYR A 722
CYH A 757
ILE A 567
ILE A 739
 None
 0.82A 4afgD-5g0hA:
undetectable
4afgE-5g0hA:
undetectable		 4afgD-5g0hA:
14.47
4afgE-5g0hA:
14.47
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.
5hb0 NUCLEOPORIN NUP170

(Chaetomium
thermophilum) 		no annotation 4 VAL B1293
CYH B1259
ILE B1319
ILE B1279
 None
 0.76A 4afgD-5hb0B:
undetectable
4afgE-5hb0B:
undetectable		 4afgD-5hb0B:
17.14
4afgE-5hb0B:
17.14
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.
5hb1 NUCLEOPORIN NUP170

(Chaetomium
thermophilum) 		PF03177
(Nucleoporin_C) 		4 VAL A1293
CYH A1259
ILE A1319
ILE A1279
 None
 0.71A 4afgD-5hb1A:
undetectable
4afgE-5hb1A:
undetectable		 4afgD-5hb1A:
13.48
4afgE-5hb1A:
13.48
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.
5ijw GLUTAMATE RACEMASE

(Mycolicibacterium
smegmatis) 		PF01177
(Asp_Glu_race) 		4 CYH A  82
TYR A  90
ILE A  59
ILE A  73
 None
 1.00A 4afgD-5ijwA:
undetectable
4afgE-5ijwA:
undetectable		 4afgD-5ijwA:
19.86
4afgE-5ijwA:
19.86
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.
5jpn COMPLEMENT C4-A

(Homo sapiens) 		PF01835
(A2M_N)
PF07703
(A2M_N_2) 		4 VAL A 282
TYR A 339
ILE A 312
ILE A 245
 None
 0.94A 4afgD-5jpnA:
undetectable
4afgE-5jpnA:
undetectable		 4afgD-5jpnA:
16.93
4afgE-5jpnA:
16.93
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.
5lgm FUSION PROTEIN
5.5/5.7

(Escherichia
virus T7) 		no annotation 4 VAL A  45
TYR A  19
ILE A  54
ILE A  69
 None
 0.86A 4afgD-5lgmA:
undetectable
4afgE-5lgmA:
undetectable		 4afgD-5lgmA:
13.16
4afgE-5lgmA:
13.16
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.
5ngk GLUCOSYLCERAMIDASE

(Bacteroides
thetaiotaomicron) 		PF02055
(Glyco_hydro_30)
PF17189
(Glyco_hydro_30C) 		4 VAL A 174
TYR A 277
ILE A 125
ILE A 375
 None
 1.05A 4afgD-5ngkA:
undetectable
4afgE-5ngkA:
undetectable		 4afgD-5ngkA:
18.96
4afgE-5ngkA:
18.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nkp KELCH-LIKE PROTEIN 3

(Homo sapiens) 		PF01344
(Kelch_1) 		4 VAL A 302
TYR A 540
CYH A 533
ILE A 583
 None
 0.89A 4afgD-5nkpA:
undetectable
4afgE-5nkpA:
undetectable		 4afgD-5nkpA:
19.93
4afgE-5nkpA:
19.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5odr HETERODISULFIDE
REDUCTASE, SUBUNIT C

(Methanothermococcus
thermolithotrophicus) 		PF13183
(Fer4_8) 		4 TYR C  84
CYH C  83
ILE C  58
ILE C  97
 None
SF4  C 202 (-2.3A)
SF4  C 201 ( 4.8A)
None
 1.06A 4afgD-5odrC:
undetectable
4afgE-5odrC:
undetectable		 4afgD-5odrC:
22.73
4afgE-5odrC:
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.
5oi9 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Trichoplax
adhaerens) 		no annotation 5 VAL A 254
TYR A 229
TYR A 276
ILE A 286
ILE A 251
 None
 1.48A 4afgD-5oi9A:
undetectable
4afgE-5oi9A:
undetectable		 4afgD-5oi9A:
16.06
4afgE-5oi9A:
16.06
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.
5tnu DNA-DEPENDENT ATPASE
XPBII

(Sulfurisphaera
tokodaii) 		no annotation 4 VAL A 115
TYR A 184
ILE A 113
ILE A 152
 None
 1.06A 4afgD-5tnuA:
undetectable
4afgE-5tnuA:
undetectable		 4afgD-5tnuA:
20.31
4afgE-5tnuA:
20.31
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.
5vj7 OXIDOREDUCTASE

(Pyrococcus
furiosus) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		4 VAL A 243
CYH A 169
ILE A 245
ILE A 159
 None
 0.97A 4afgD-5vj7A:
undetectable
4afgE-5vj7A:
undetectable		 4afgD-5vj7A:
19.21
4afgE-5vj7A:
19.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5weo GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT
CHIMERA

(Mus musculus;
Rattus
norvegicus) 		PF00060
(Lig_chan)
PF00822
(PMP22_Claudin)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		4 VAL A1154
CYH A 528
ILE A1150
ILE A1152
 None
 0.80A 4afgD-5weoA:
undetectable
4afgE-5weoA:
undetectable		 4afgD-5weoA:
12.23
4afgE-5weoA:
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.
5xef FLAGELLAR PROTEIN
FLIS

(Bacillus cereus) 		no annotation 4 TYR A  25
CYH A  28
ILE A  88
ILE A  57
 None
 0.99A 4afgD-5xefA:
undetectable
4afgE-5xefA:
undetectable		 4afgD-5xefA:
17.11
4afgE-5xefA:
17.11
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.
6bq6 THERMOSPERMINE
SYNTHASE

(Medicago
truncatula) 		no annotation 4 VAL A 212
TYR A 197
ILE A 210
ILE A 175
 None
 0.93A 4afgD-6bq6A:
undetectable
4afgE-6bq6A:
undetectable		 4afgD-6bq6A:
17.11
4afgE-6bq6A:
17.11
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.
6cdd NPL4 ZINC FINGER

(Chaetomium
thermophilum) 		no annotation 4 VAL A 330
TYR A 336
CYH A 566
CYH A 337
 None
 0.90A 4afgD-6cddA:
undetectable
4afgE-6cddA:
undetectable		 4afgD-6cddA:
16.59
4afgE-6cddA:
16.59
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.
6ces RAS-RELATED
GTP-BINDING PROTEIN
A

(Homo sapiens) 		no annotation 4 VAL A  87
CYH A 109
ILE A  89
ILE A 122
 None
 1.01A 4afgD-6cesA:
undetectable
4afgE-6cesA:
undetectable		 4afgD-6cesA:
17.86
4afgE-6cesA:
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.
6chs NPL4

(Chaetomium
thermophilum) 		no annotation 4 VAL A 330
TYR A 336
CYH A 566
CYH A 337
 None
 0.94A 4afgD-6chsA:
undetectable
4afgE-6chsA:
undetectable		 4afgD-6chsA:
16.13
4afgE-6chsA:
16.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ekt P-47 PROTEIN

(Clostridium
botulinum) 		no annotation 4 TRP A 413
VAL A 238
ILE A 407
ILE A 411
 None
 0.99A 4afgD-6ektA:
undetectable
4afgE-6ektA:
undetectable		 4afgD-6ektA:
22.04
4afgE-6ektA:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6epc PROTEASOME (PROSOME,
MACROPAIN) 26S
SUBUNIT, NON-ATPASE,
12

(Rattus
norvegicus) 		no annotation 4 TYR P 247
CYH P 244
ILE P 275
ILE P 290
 None
 0.99A 4afgD-6epcP:
undetectable
4afgE-6epcP:
undetectable		 4afgD-6epcP:
17.49
4afgE-6epcP:
17.49
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.
6g3u -

(-) 		no annotation 4 VAL A 541
TYR A 521
ILE A 539
ILE A 485
 None
 0.98A 4afgD-6g3uA:
undetectable
4afgE-6g3uA:
undetectable		 4afgD-6g3uA:
undetectable
4afgE-6g3uA:
undetectable