SIMILAR PATTERNS OF AMINO ACIDS FOR 3GYQ_A_SAMA270_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.
1bo4 PROTEIN (SERRATIA
MARCESCENS
AMINOGLYCOSIDE-3-N-A
CETYLTRANSFERASE)

(Serratia
marcescens) 		PF00583
(Acetyltransf_1) 		5 LEU A 111
ALA A  92
GLY A  89
ILE A 108
LEU A 130
 COA  A 300 ( 3.9A)
None
None
None
None
 1.27A 3gyqA-1bo4A:
undetectable
3gyqB-1bo4A:
undetectable		 3gyqA-1bo4A:
24.71
3gyqB-1bo4A:
24.71
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.
1c3x PENTOSYLTRANSFERASE

(Cellulomonas
sp.) 		PF01048
(PNP_UDP_1) 		5 LEU A 275
ALA A 277
GLY A 269
ILE A 279
ARG A  83
 None
 1.29A 3gyqA-1c3xA:
undetectable
3gyqB-1c3xA:
undetectable		 3gyqA-1c3xA:
24.37
3gyqB-1c3xA:
24.37
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.
1dk5 ANNEXIN 24(CA32)

(Capsicum annuum) 		PF00191
(Annexin) 		5 LEU A 238
ALA A 240
GLY A 231
ILE A 242
LEU A 225
 None
None
None
None
SO4  A 811 (-4.7A)
 1.23A 3gyqA-1dk5A:
undetectable
3gyqB-1dk5A:
undetectable		 3gyqA-1dk5A:
24.50
3gyqB-1dk5A:
24.50
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.
1e59 PHOSPHOGLYCERATE
MUTASE

(Escherichia
coli) 		PF00300
(His_Phos_1) 		5 ALA A  62
GLY A  23
SER A  57
LEU A  86
SER A 186
 None
VO3  A1001 (-3.6A)
None
None
None
 1.00A 3gyqA-1e59A:
undetectable
3gyqB-1e59A:
undetectable		 3gyqA-1e59A:
21.99
3gyqB-1e59A:
21.99
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.
1ffv CUTL, MOLYBDOPROTEIN
OF CARBON MONOXIDE
DEHYDROGENASE

(Hydrogenophaga
pseudoflava) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 LEU B 328
ALA B 318
GLY B 315
ILE B 325
LEU B 403
 None
 1.22A 3gyqA-1ffvB:
undetectable
3gyqB-1ffvB:
undetectable		 3gyqA-1ffvB:
16.88
3gyqB-1ffvB:
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.
1he3 BILIVERDIN IX BETA
REDUCTASE

(Homo sapiens) 		PF13460
(NAD_binding_10) 		5 ALA A 108
GLY A  90
ILE A  72
MET A 185
LEU A  74
 None
 1.27A 3gyqA-1he3A:
3.2
3gyqB-1he3A:
3.5		 3gyqA-1he3A:
24.29
3gyqB-1he3A:
24.29
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.
1jae ALPHA-AMYLASE

(Tenebrio
molitor) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		5 LEU A 195
GLY A 238
ILE A 198
SER A 200
ARG A 216
 None
 1.30A 3gyqA-1jaeA:
4.3
3gyqB-1jaeA:
4.2		 3gyqA-1jaeA:
20.94
3gyqB-1jaeA:
20.94
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.
1k0g P-AMINOBENZOATE
SYNTHASE COMPONENT I

(Escherichia
coli) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		5 LEU A 114
ALA A 135
GLY A  61
LEU A  57
ARG A  72
 None
 1.07A 3gyqA-1k0gA:
undetectable
3gyqB-1k0gA:
undetectable		 3gyqA-1k0gA:
21.05
3gyqB-1k0gA:
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.
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli) 		PF00476
(DNA_pol_A)
PF01612
(DNA_pol_A_exo1) 		5 ALA A 715
ILE A 713
SER A 718
LEU A 717
ARG A 804
 None
 1.34A 3gyqA-1kspA:
undetectable
3gyqB-1kspA:
undetectable		 3gyqA-1kspA:
20.46
3gyqB-1kspA:
20.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m54 CYSTATHIONINE
BETA-SYNTHASE

(Homo sapiens) 		PF00291
(PALP) 		5 ALA A 158
GLY A 115
ILE A 127
LEU A 154
SER A 123
 None
 1.18A 3gyqA-1m54A:
undetectable
3gyqB-1m54A:
undetectable		 3gyqA-1m54A:
23.31
3gyqB-1m54A:
23.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ou0 PRECORRIN-8X
METHYLMUTASE RELATED
PROTEIN

(Thermoplasma
acidophilum) 		PF02570
(CbiC) 		5 ALA A 171
GLY A 187
MET A 145
LEU A 175
SER A 184
 None
 1.16A 3gyqA-1ou0A:
undetectable
3gyqB-1ou0A:
undetectable		 3gyqA-1ou0A:
24.14
3gyqB-1ou0A:
24.14
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.
1pvx PROTEIN
(ENDO-1,4-BETA-XYLAN
ASE)

(Byssochlamys
spectabilis) 		PF00457
(Glyco_hydro_11) 		5 ALA A 176
GLY A 179
ILE A 188
SER A  75
LEU A  74
 None
 1.25A 3gyqA-1pvxA:
undetectable
3gyqB-1pvxA:
undetectable		 3gyqA-1pvxA:
19.41
3gyqB-1pvxA:
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.
1rqg METHIONYL-TRNA
SYNTHETASE

(Pyrococcus
abyssi) 		PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g) 		5 LEU A 251
ALA A 257
GLY A 236
ILE A 259
SER A 104
 None
 1.28A 3gyqA-1rqgA:
undetectable
3gyqB-1rqgA:
undetectable		 3gyqA-1rqgA:
16.62
3gyqB-1rqgA:
16.62
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.
1rrm LACTALDEHYDE
REDUCTASE

(Escherichia
coli) 		PF00465
(Fe-ADH) 		5 LEU A  35
GLY A  88
ILE A 107
SER A 111
LEU A  81
 None
 1.13A 3gyqA-1rrmA:
undetectable
3gyqB-1rrmA:
undetectable		 3gyqA-1rrmA:
25.13
3gyqB-1rrmA:
25.13
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.
1t33 PUTATIVE
TRANSCRIPTIONAL
REPRESSOR (TETR/ACRR
FAMILY)

(Salmonella
enterica) 		PF00440
(TetR_N)
PF09209
(DUF1956) 		5 LEU A  22
ALA A  20
GLY A  26
ILE A  18
LEU A  58
 None
 1.18A 3gyqA-1t33A:
undetectable
3gyqB-1t33A:
undetectable		 3gyqA-1t33A:
22.18
3gyqB-1t33A:
22.18
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.
1uj2 URIDINE-CYTIDINE
KINASE 2

(Homo sapiens) 		PF00485
(PRK) 		5 LEU A  43
ALA A  38
ILE A  40
SER A  35
ARG A 165
 None
None
None
ADP  A2302 (-4.5A)
ADP  A2302 (-3.6A)
 1.33A 3gyqA-1uj2A:
undetectable
3gyqB-1uj2A:
undetectable		 3gyqA-1uj2A:
24.04
3gyqB-1uj2A:
24.04
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.
1v2x TRNA (GM18)
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF00588
(SpoU_methylase)
PF12105
(SpoU_methylas_C) 		5 GLY A 122
ILE A 142
MET A 144
SER A 150
LEU A 151
 SAM  A 400 (-3.2A)
SAM  A 400 (-3.6A)
SAM  A 400 (-3.3A)
SAM  A 400 ( 3.7A)
SAM  A 400 (-4.0A)
 0.83A 3gyqA-1v2xA:
17.5
3gyqB-1v2xA:
17.8		 3gyqA-1v2xA:
23.83
3gyqB-1v2xA:
23.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x7p RRNA
METHYLTRANSFERASE

(Streptomyces
viridochromogenes) 		PF00588
(SpoU_methylase) 		5 GLY A 232
ILE A 252
MET A 254
SER A 260
LEU A 261
 SAM  A 301 (-3.2A)
SAM  A 301 (-4.0A)
SAM  A 301 (-3.1A)
SAM  A 301 ( 3.7A)
SAM  A 301 (-4.1A)
 0.83A 3gyqA-1x7pA:
20.3
3gyqB-1x7pA:
21.2		 3gyqA-1x7pA:
27.99
3gyqB-1x7pA:
27.99
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.
1zjr TRNA
(GUANOSINE-2'-O-)-ME
THYLTRANSFERASE

(Aquifex
aeolicus) 		PF00588
(SpoU_methylase)
PF12105
(SpoU_methylas_C) 		5 GLY A 126
ILE A 146
MET A 148
SER A 154
LEU A 155
 GOL  A 529 (-4.0A)
None
None
GOL  A 529 (-3.5A)
None
 0.74A 3gyqA-1zjrA:
16.4
3gyqB-1zjrA:
16.9		 3gyqA-1zjrA:
23.67
3gyqB-1zjrA:
23.67
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.
2drh 361AA LONG
HYPOTHETICAL
D-AMINOPEPTIDASE

(Pyrococcus
horikoshii) 		PF03576
(Peptidase_S58) 		5 LEU A 327
ALA A 322
GLY A 168
ILE A 323
SER A 207
 None
 1.29A 3gyqA-2drhA:
undetectable
3gyqB-2drhA:
undetectable		 3gyqA-2drhA:
23.06
3gyqB-2drhA:
23.06
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.
2e7z ACETYLENE HYDRATASE
AHY

(Pelobacter
acetylenicus) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 ALA A 624
ILE A 620
MET A  47
SER A 609
LEU A 621
 None
 1.34A 3gyqA-2e7zA:
2.5
3gyqB-2e7zA:
2.5		 3gyqA-2e7zA:
17.31
3gyqB-2e7zA:
17.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g0t CONSERVED
HYPOTHETICAL PROTEIN

(Thermotoga
maritima) 		PF07755
(DUF1611)
PF17396
(DUF1611_N) 		5 LEU A 200
GLY A 195
ILE A  83
SER A  86
LEU A 114
 None
EDO  A 341 (-3.6A)
None
None
None
 1.26A 3gyqA-2g0tA:
3.0
3gyqB-2g0tA:
undetectable		 3gyqA-2g0tA:
22.44
3gyqB-2g0tA:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ha8 TAR (HIV-1) RNA LOOP
BINDING PROTEIN

(Homo sapiens) 		PF00588
(SpoU_methylase) 		5 GLY A 129
ILE A 149
SER A 157
LEU A 158
SER A 163
 SAH  A 401 (-3.1A)
SAH  A 401 (-3.8A)
SAH  A 401 ( 3.8A)
SAH  A 401 (-4.3A)
SAH  A 401 (-3.0A)
 0.75A 3gyqA-2ha8A:
18.2
3gyqB-2ha8A:
18.4		 3gyqA-2ha8A:
23.25
3gyqB-2ha8A:
23.25
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.
2jre C60-1 PDZ DOMAIN
PEPTIDE

(-) 		PF00595
(PDZ) 		5 LEU A  51
GLY A  54
ILE A  29
SER A  26
LEU A  27
 None
 1.16A 3gyqA-2jreA:
undetectable
3gyqB-2jreA:
undetectable		 3gyqA-2jreA:
18.91
3gyqB-2jreA:
18.91
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.
2nlz CEPHALOSPORIN
ACYLASE

(Bacillus
halodurans) 		PF01019
(G_glu_transpept) 		5 LEU A 239
ALA A 230
GLY A 236
LYS A 234
ILE A 228
 None
 1.31A 3gyqA-2nlzA:
undetectable
3gyqB-2nlzA:
undetectable		 3gyqA-2nlzA:
18.35
3gyqB-2nlzA:
18.35
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.
2q4d LYSINE
DECARBOXYLASE-LIKE
PROTEIN AT5G11950

(Arabidopsis
thaliana) 		PF03641
(Lysine_decarbox) 		5 LEU A 141
ALA A 111
GLY A 145
ILE A 110
ARG A 168
 None
 1.25A 3gyqA-2q4dA:
undetectable
3gyqB-2q4dA:
undetectable		 3gyqA-2q4dA:
27.18
3gyqB-2q4dA:
27.18
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.
2qi9 VITAMIN B12 IMPORT
SYSTEM PERMEASE
PROTEIN BTUC

(Escherichia
coli) 		PF01032
(FecCD) 		5 LEU A 264
ALA A  75
GLY A 283
MET A 211
LEU A 276
 None
 1.27A 3gyqA-2qi9A:
undetectable
3gyqB-2qi9A:
undetectable		 3gyqA-2qi9A:
25.56
3gyqB-2qi9A:
25.56
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.
2vvg KINESIN-2

(Giardia
intestinalis) 		PF00225
(Kinesin) 		5 LEU A  86
ALA A  84
ILE A  82
SER A  91
LEU A 237
 None
 1.24A 3gyqA-2vvgA:
undetectable
3gyqB-2vvgA:
undetectable		 3gyqA-2vvgA:
21.37
3gyqB-2vvgA:
21.37
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.
2wnr PROBABLE EXOSOME
COMPLEX EXONUCLEASE
2
PROBABLE EXOSOME
COMPLEX EXONUCLEASE
1

(Methanothermobacter
thermautotrophicus;
Methanothermobacter
thermautotrophicus) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		5 LEU B 200
GLY A 237
ILE B 141
LEU B 109
ARG B  72
 None
 1.17A 3gyqA-2wnrB:
undetectable
3gyqB-2wnrB:
undetectable		 3gyqA-2wnrB:
23.79
3gyqB-2wnrB:
23.79
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.
2wte CSA3

(Sulfolobus
solfataricus) 		no annotation 5 LEU A  56
ALA A  51
ILE A  53
SER A  48
LEU A  49
 None
 1.24A 3gyqA-2wteA:
undetectable
3gyqB-2wteA:
2.7		 3gyqA-2wteA:
22.97
3gyqB-2wteA:
22.97
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.
2z5l TYLACTONE SYNTHASE
STARTER MODULE AND
MODULES 1 & 2

(Streptomyces
fradiae) 		PF08659
(KR) 		5 LEU A 162
ALA A 213
GLY A 141
ILE A 163
LEU A 165
 None
 1.32A 3gyqA-2z5lA:
2.5
3gyqB-2z5lA:
undetectable		 3gyqA-2z5lA:
21.38
3gyqB-2z5lA:
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.
2zfd PUTATIVE
UNCHARACTERIZED
PROTEIN T20L15_90

(Arabidopsis
thaliana) 		PF03822
(NAF) 		5 LEU B 362
ILE B 374
MET B 372
LEU B 353
ARG B 348
 None
None
None
None
ACY  B   2 (-4.2A)
 1.18A 3gyqA-2zfdB:
undetectable
3gyqB-2zfdB:
undetectable		 3gyqA-2zfdB:
18.94
3gyqB-2zfdB:
18.94
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.
2zwa LEUCINE CARBOXYL
METHYLTRANSFERASE 2

(Saccharomyces
cerevisiae) 		PF04072
(LCM)
PF13418
(Kelch_4) 		5 LEU A 556
GLY A 599
ILE A 555
SER A 494
LEU A 506
 None
 1.32A 3gyqA-2zwaA:
2.1
3gyqB-2zwaA:
2.3		 3gyqA-2zwaA:
18.14
3gyqB-2zwaA:
18.14
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.
3b4t RIBONUCLEASE PH

(Mycobacterium
tuberculosis) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		5 LEU A 105
ALA A 107
GLY A  56
SER A 152
LEU A 151
 None
 1.31A 3gyqA-3b4tA:
undetectable
3gyqB-3b4tA:
undetectable		 3gyqA-3b4tA:
23.83
3gyqB-3b4tA:
23.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d8h GLYCOLYTIC
PHOSPHOGLYCERATE
MUTASE

(Cryptosporidium
parvum) 		PF00300
(His_Phos_1) 		5 ALA A  80
GLY A  41
SER A  75
LEU A 104
SER A 204
 None
 0.95A 3gyqA-3d8hA:
undetectable
3gyqB-3d8hA:
undetectable		 3gyqA-3d8hA:
23.38
3gyqB-3d8hA:
23.38
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.
3e58 PUTATIVE
BETA-PHOSPHOGLUCOMUT
ASE

(Streptococcus
thermophilus) 		PF13419
(HAD_2) 		5 ALA A 119
GLY A  11
ILE A 116
SER A 111
ARG A  23
 None
GOL  A 303 (-3.6A)
None
None
None
 1.27A 3gyqA-3e58A:
4.4
3gyqB-3e58A:
4.4		 3gyqA-3e58A:
24.28
3gyqB-3e58A:
24.28
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.
3eo3 BIFUNCTIONAL
UDP-N-ACETYLGLUCOSAM
INE
2-EPIMERASE/N-ACETYL
MANNOSAMINE KINASE

(Homo sapiens) 		PF00480
(ROK) 		5 LEU A 707
ALA A 521
GLY A 529
LEU A 523
SER A 711
 None
 1.34A 3gyqA-3eo3A:
undetectable
3gyqB-3eo3A:
undetectable		 3gyqA-3eo3A:
22.03
3gyqB-3eo3A:
22.03
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.
3f95 BETA-GLUCOSIDASE

(Pseudoalteromonas
sp. BB1) 		no annotation 5 LEU A 716
ALA A 763
GLY A 714
SER A 808
LEU A 809
 None
 1.26A 3gyqA-3f95A:
undetectable
3gyqB-3f95A:
undetectable		 3gyqA-3f95A:
21.35
3gyqB-3f95A:
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.
3faw RETICULOCYTE BINDING
PROTEIN

(Streptococcus
agalactiae) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 LEU A 699
ALA A 712
LYS A 706
ILE A 714
SER A 568
 None
CL  A1225 (-3.5A)
None
None
None
 1.34A 3gyqA-3fawA:
undetectable
3gyqB-3fawA:
2.4		 3gyqA-3fawA:
17.76
3gyqB-3fawA:
17.76
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.
3gq9 PRENECK APPENDAGE
PROTEIN

(Bacillus virus
phi29) 		PF11962
(Peptidase_G2)
PF12708
(Pectate_lyase_3) 		5 LEU A 587
GLY A 603
ILE A 570
SER A 592
SER A 573
 None
 1.31A 3gyqA-3gq9A:
undetectable
3gyqB-3gq9A:
undetectable		 3gyqA-3gq9A:
20.10
3gyqB-3gq9A:
20.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gyq RRNA
(ADENOSINE-2'-O-)-ME
THYLTRANSFERASE

(Streptomyces
cyaneus) 		PF00588
(SpoU_methylase)
PF04705
(TSNR_N) 		10 LEU A 195
LYS A 196
ALA A 197
GLY A 218
LYS A 221
ILE A 238
MET A 240
SER A 246
LEU A 247
SER A 252
 SAM  A 270 (-4.1A)
SAM  A 270 (-3.3A)
SAM  A 270 (-3.8A)
SAM  A 270 (-2.9A)
None
SAM  A 270 (-3.5A)
SAM  A 270 (-3.5A)
SAM  A 270 (-2.8A)
SAM  A 270 (-4.4A)
SAM  A 270 (-3.1A)
 0.03A 3gyqA-3gyqA:
44.5
3gyqB-3gyqA:
39.3		 3gyqA-3gyqA:
100.00
3gyqB-3gyqA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gyq RRNA
(ADENOSINE-2'-O-)-ME
THYLTRANSFERASE

(Streptomyces
cyaneus) 		PF00588
(SpoU_methylase)
PF04705
(TSNR_N) 		7 LYS A 196
ALA A 197
GLY A 223
ILE A 238
MET A 240
SER A 246
LEU A 247
 SAM  A 270 (-3.3A)
SAM  A 270 (-3.8A)
None
SAM  A 270 (-3.5A)
SAM  A 270 (-3.5A)
SAM  A 270 (-2.8A)
SAM  A 270 (-4.4A)
 1.22A 3gyqA-3gyqA:
44.5
3gyqB-3gyqA:
39.3		 3gyqA-3gyqA:
100.00
3gyqB-3gyqA:
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.
3lez BETA-LACTAMASE

(Oceanobacillus
iheyensis) 		PF13354
(Beta-lactamase2) 		5 LEU A 151
ALA A  94
GLY A 157
LEU A  90
ARG A 166
 None
None
CL  A  20 ( 4.3A)
None
None
 1.30A 3gyqA-3lezA:
undetectable
3gyqB-3lezA:
undetectable		 3gyqA-3lezA:
22.30
3gyqB-3lezA:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lnt 2,3-BISPHOSPHOGLYCER
ATE-DEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Burkholderia
pseudomallei) 		PF00300
(His_Phos_1) 		5 ALA A  61
GLY A  22
SER A  56
LEU A  85
SER A 185
 None
MLI  A 990 (-3.6A)
None
None
None
 0.91A 3gyqA-3lntA:
undetectable
3gyqB-3lntA:
undetectable		 3gyqA-3lntA:
22.82
3gyqB-3lntA:
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.
3mvd REGULATOR OF
CHROMOSOME
CONDENSATION

(Drosophila
melanogaster) 		PF00415
(RCC1) 		5 ALA K 139
GLY K 186
ILE K 131
LEU K  87
SER K  80
 None
 1.28A 3gyqA-3mvdK:
undetectable
3gyqB-3mvdK:
undetectable		 3gyqA-3mvdK:
23.37
3gyqB-3mvdK:
23.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3nk7 23S RRNA
METHYLTRANSFERASE

(Streptomyces
actuosus) 		PF00588
(SpoU_methylase)
PF04705
(TSNR_N) 		6 LEU A 195
GLY A 218
ILE A 238
MET A 240
LEU A 247
SER A 252
 SAM  A 770 (-3.8A)
SAM  A 770 (-3.0A)
SAM  A 770 (-3.8A)
SAM  A 770 (-3.3A)
SAM  A 770 (-4.5A)
SAM  A 770 (-3.1A)
 0.43A 3gyqA-3nk7A:
30.7
3gyqB-3nk7A:
33.3		 3gyqA-3nk7A:
73.53
3gyqB-3nk7A:
73.53
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.
3suc PRENECK APPENDAGE
PROTEIN

(Bacillus virus
phi29) 		PF11962
(Peptidase_G2)
PF12708
(Pectate_lyase_3) 		5 LEU A 587
GLY A 603
ILE A 570
SER A 592
SER A 573
 None
 1.25A 3gyqA-3sucA:
undetectable
3gyqB-3sucA:
undetectable		 3gyqA-3sucA:
17.92
3gyqB-3sucA:
17.92
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.
3tbk RIG-I HELICASE
DOMAIN

(Mus musculus) 		PF00271
(Helicase_C)
PF04851
(ResIII) 		5 LEU A 347
ALA A 298
GLY A 327
ILE A 346
SER A 324
 None
 1.23A 3gyqA-3tbkA:
undetectable
3gyqB-3tbkA:
undetectable		 3gyqA-3tbkA:
17.99
3gyqB-3tbkA:
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.
3vi3 INTEGRIN ALPHA-5

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 ALA A 370
GLY A 436
ILE A 371
LEU A 355
ARG A 106
 None
 1.35A 3gyqA-3vi3A:
undetectable
3gyqB-3vi3A:
undetectable		 3gyqA-3vi3A:
18.68
3gyqB-3vi3A:
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.
3w53 BETA-GLUCOSIDASE

(Micrococcus
antarcticus) 		PF00232
(Glyco_hydro_1) 		5 LEU A  56
ALA A  23
GLY A  30
SER A  86
SER A  38
 None
 1.18A 3gyqA-3w53A:
undetectable
3gyqB-3w53A:
3.1		 3gyqA-3w53A:
21.54
3gyqB-3w53A:
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.
4d1d HYDANTOIN TRANSPORT
PROTEIN

(Microbacterium
liquefaciens) 		PF02133
(Transp_cyt_pur) 		5 LEU A 394
ILE A 100
SER A  11
LEU A  12
ARG A 332
 None
 1.14A 3gyqA-4d1dA:
undetectable
3gyqB-4d1dA:
undetectable		 3gyqA-4d1dA:
20.70
3gyqB-4d1dA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4emb 2,3-BISPHOSPHOGLYCER
ATE-DEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Borreliella
burgdorferi) 		PF00300
(His_Phos_1) 		5 ALA A  66
GLY A  27
SER A  61
LEU A  90
SER A 190
 None
EDO  A 301 (-3.5A)
None
None
None
 0.97A 3gyqA-4embA:
undetectable
3gyqB-4embA:
undetectable		 3gyqA-4embA:
22.22
3gyqB-4embA:
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.
4euf PUTATIVE REDUCTASE
CA_C0462

(Clostridium
acetobutylicum) 		PF07055
(Eno-Rase_FAD_bd)
PF12241
(Enoyl_reductase)
PF12242
(Eno-Rase_NADH_b) 		5 LEU A 134
ALA A 218
GLY A  39
ILE A 132
SER A 215
 None
 1.33A 3gyqA-4eufA:
undetectable
3gyqB-4eufA:
undetectable		 3gyqA-4eufA:
20.15
3gyqB-4eufA:
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.
4gnr ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN-BRANCHED
CHAIN AMINO ACID
TRANSPORT

(Streptococcus
pneumoniae) 		PF13458
(Peripla_BP_6) 		5 LEU A 135
ALA A 111
GLY A 132
ILE A 136
LEU A 343
 None
 1.34A 3gyqA-4gnrA:
3.6
3gyqB-4gnrA:
undetectable		 3gyqA-4gnrA:
23.51
3gyqB-4gnrA:
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.
4hk9 ENDO-1,4-BETA-XYLANA
SE 2

(Trichoderma
reesei) 		PF00457
(Glyco_hydro_11) 		5 ALA A 175
GLY A 178
ILE A 187
SER A  75
LEU A  74
 None
 1.27A 3gyqA-4hk9A:
undetectable
3gyqB-4hk9A:
undetectable		 3gyqA-4hk9A:
22.09
3gyqB-4hk9A:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4igl YENB

(Yersinia
entomophaga) 		PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN) 		5 LEU A 525
ALA A 673
ILE A 526
LEU A 621
SER A 530
 None
 1.17A 3gyqA-4iglA:
undetectable
3gyqB-4iglA:
undetectable		 3gyqA-4iglA:
11.44
3gyqB-4iglA:
11.44
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.
4kam O-ACETYLHOMOSERINE
SULFHYDRYLASE METC

(Mycobacterium
marinum) 		PF01053
(Cys_Met_Meta_PP) 		5 LEU A 429
ALA A 427
GLY A 432
ILE A 425
LEU A 373
 None
 1.09A 3gyqA-4kamA:
undetectable
3gyqB-4kamA:
2.3		 3gyqA-4kamA:
25.84
3gyqB-4kamA:
25.84
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.
4mdv ANNEXIN

(Schistosoma
mansoni) 		PF00191
(Annexin) 		5 LEU A 339
ALA A 330
ILE A 327
SER A 292
ARG A 285
 None
 1.25A 3gyqA-4mdvA:
undetectable
3gyqB-4mdvA:
undetectable		 3gyqA-4mdvA:
22.98
3gyqB-4mdvA:
22.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mln PREDICTED HD
PHOSPHOHYDROLASE
PHNZ

(uncultured
bacterium
HF130_AEPn_1) 		PF01966
(HD) 		5 LEU A  15
GLY A  61
SER A  35
LEU A  32
SER A  19
 None
 1.02A 3gyqA-4mlnA:
undetectable
3gyqB-4mlnA:
undetectable		 3gyqA-4mlnA:
24.35
3gyqB-4mlnA:
24.35
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.
4nph PROBABLE SECRETION
SYSTEM APPARATUS ATP
SYNTHASE SSAN

(Salmonella
enterica) 		PF00006
(ATP-synt_ab) 		5 LYS A 168
GLY A 165
ILE A 160
SER A 162
ARG A 259
 None
 1.30A 3gyqA-4nphA:
undetectable
3gyqB-4nphA:
undetectable		 3gyqA-4nphA:
24.31
3gyqB-4nphA:
24.31
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.
4o92 GLUTATHIONE
S-TRANSFERASE

(Pichia
kudriavzevii) 		PF00043
(GST_C)
PF02798
(GST_N) 		5 LEU A  60
ALA A  51
GLY A  57
ILE A  66
LEU A   6
 None
 1.29A 3gyqA-4o92A:
2.7
3gyqB-4o92A:
undetectable		 3gyqA-4o92A:
22.43
3gyqB-4o92A:
22.43
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.
4odi PHOSPHOGLYCERATE
MUTASE PGMII

(Toxoplasma
gondii) 		PF00300
(His_Phos_1) 		5 ALA A  78
GLY A  39
SER A  73
LEU A 102
SER A 202
 None
 0.98A 3gyqA-4odiA:
undetectable
3gyqB-4odiA:
undetectable		 3gyqA-4odiA:
25.66
3gyqB-4odiA:
25.66
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.
4pzk TRNA
(CYTIDINE(34)-2'-O)-
METHYLTRANSFERASE

(Bacillus
anthracis) 		PF00588
(SpoU_methylase) 		6 LEU A  79
GLY A 104
ILE A 125
MET A 127
SER A 133
LEU A 134
 SAH  A 201 (-4.0A)
SAH  A 201 (-3.1A)
SAH  A 201 (-3.9A)
SAH  A 201 (-3.3A)
SAH  A 201 ( 3.8A)
SAH  A 201 (-4.2A)
 0.77A 3gyqA-4pzkA:
16.2
3gyqB-4pzkA:
15.9		 3gyqA-4pzkA:
17.59
3gyqB-4pzkA:
17.59
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.
4qbj GLYCYLPEPTIDE
N-TETRADECANOYLTRANS
FERASE

(Aspergillus
fumigatus) 		PF01233
(NMT)
PF02799
(NMT_C) 		5 LEU A 438
GLY A 472
ILE A 489
LEU A 329
ARG A 203
 None
 1.25A 3gyqA-4qbjA:
undetectable
3gyqB-4qbjA:
undetectable		 3gyqA-4qbjA:
21.67
3gyqB-4qbjA:
21.67
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.
4r7y MINICHROMOSOME
MAINTENANCE PROTEIN
MCM, CELL DIVISION
CONTROL PROTEIN 21

(Pyrococcus
furiosus;
Sulfolobus
solfataricus) 		PF00493
(MCM)
PF14551
(MCM_N)
PF17207
(MCM_OB) 		5 LEU A1748
GLY A1753
ILE A1781
LEU A1792
ARG A 230
 None
None
None
CL  A2005 ( 4.8A)
CL  A2005 (-3.9A)
 1.33A 3gyqA-4r7yA:
undetectable
3gyqB-4r7yA:
undetectable		 3gyqA-4r7yA:
21.46
3gyqB-4r7yA:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rct RESTRICTION
ENDONUCLEASE
R.NGOVII

(Neisseria
gonorrhoeae) 		PF09565
(RE_NgoFVII) 		5 LEU A 150
ALA A 152
GLY A 144
ILE A 154
SER A 109
 None
 0.93A 3gyqA-4rctA:
undetectable
3gyqB-4rctA:
undetectable		 3gyqA-4rctA:
23.42
3gyqB-4rctA:
23.42
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.
4rct RESTRICTION
ENDONUCLEASE
R.NGOVII

(Neisseria
gonorrhoeae) 		PF09565
(RE_NgoFVII) 		5 LEU A 150
ALA A 152
ILE A 154
LEU A  33
SER A 109
 None
 1.21A 3gyqA-4rctA:
undetectable
3gyqB-4rctA:
undetectable		 3gyqA-4rctA:
23.42
3gyqB-4rctA:
23.42
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.
4rkr TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY

(Arthrobacter
sp. FB24) 		PF13377
(Peripla_BP_3) 		5 LEU A 149
ALA A 128
GLY A 145
ILE A 150
LEU A 315
 None
 1.28A 3gyqA-4rkrA:
2.1
3gyqB-4rkrA:
3.4		 3gyqA-4rkrA:
23.05
3gyqB-4rkrA:
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.
4uds MBDR REGULATOR

(Azoarcus sp.
CIB) 		PF00440
(TetR_N) 		5 LEU A 146
ALA A 148
GLY A 141
SER A 162
LEU A 165
 None
 1.07A 3gyqA-4udsA:
undetectable
3gyqB-4udsA:
undetectable		 3gyqA-4udsA:
22.74
3gyqB-4udsA:
22.74
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.
4wk4 INTEGRIN ALPHA-5

(Homo sapiens) 		PF01839
(FG-GAP) 		5 ALA A 370
GLY A 436
ILE A 371
LEU A 355
ARG A 106
 None
 1.34A 3gyqA-4wk4A:
undetectable
3gyqB-4wk4A:
undetectable		 3gyqA-4wk4A:
23.01
3gyqB-4wk4A:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x3m RNA 2'-O RIBOSE
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF00588
(SpoU_methylase) 		5 GLY A 208
ILE A 228
MET A 230
SER A 236
LEU A 237
 ADN  A 301 (-3.1A)
ADN  A 301 (-3.8A)
ADN  A 301 (-3.5A)
ADN  A 301 (-4.5A)
ADN  A 301 (-4.9A)
 0.94A 3gyqA-4x3mA:
22.8
3gyqB-4x3mA:
23.3		 3gyqA-4x3mA:
29.23
3gyqB-4x3mA:
29.23
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.
4x5n UNCHARACTERIZED
PROTEIN

(Escherichia
coli) 		PF04193
(PQ-loop) 		5 LEU A  70
ALA A  65
GLY A  46
ILE A  67
LEU A  63
 None
 1.14A 3gyqA-4x5nA:
undetectable
3gyqB-4x5nA:
undetectable		 3gyqA-4x5nA:
17.91
3gyqB-4x5nA:
17.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xbo TRNA
(CYTIDINE/URIDINE-2'
-O-)-METHYLTRANSFERA
SE TRMJ

(Escherichia
coli) 		PF00588
(SpoU_methylase) 		5 ALA A  81
GLY A 114
ILE A 134
SER A 142
LEU A 143
 SAH  A 301 (-3.2A)
SAH  A 301 (-2.9A)
SAH  A 301 (-3.9A)
SAH  A 301 (-3.4A)
SAH  A 301 (-3.8A)
 0.85A 3gyqA-4xboA:
16.0
3gyqB-4xboA:
16.0		 3gyqA-4xboA:
20.54
3gyqB-4xboA:
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.
4xsr ALR3699 PROTEIN

(Nostoc sp. PCC
7120) 		no annotation 5 ILE B  94
SER B 146
LEU B 116
SER B 109
ARG B 165
 None
 1.16A 3gyqA-4xsrB:
4.4
3gyqB-4xsrB:
3.3		 3gyqA-4xsrB:
23.38
3gyqB-4xsrB:
23.38
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.
4yfj AMINOGLYCOSIDE
3'-N-ACETYLTRANSFERA
SE

(Pseudomonas
aeruginosa) 		PF00583
(Acetyltransf_1) 		5 LEU A 110
ALA A  91
GLY A  88
ILE A 107
LEU A 129
 SO4  A 204 (-4.4A)
None
None
None
None
 1.27A 3gyqA-4yfjA:
undetectable
3gyqB-4yfjA:
undetectable		 3gyqA-4yfjA:
24.35
3gyqB-4yfjA:
24.35
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.
4zj8 HUMAN OX1R FUSION
PROTEIN TO P.ABYSII
GLYCOGEN SYNTHASE

(Homo sapiens;
Pyrococcus
abyssi) 		PF00001
(7tm_1)
PF00534
(Glycos_transf_1) 		5 LEU A1012
GLY A1014
SER A1022
LEU A1023
SER A1111
 None
 1.28A 3gyqA-4zj8A:
3.6
3gyqB-4zj8A:
undetectable		 3gyqA-4zj8A:
20.00
3gyqB-4zj8A:
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.
4zwe DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo sapiens) 		PF01966
(HD) 		5 LEU A 132
GLY A 176
ILE A 136
LEU A 169
ARG A 318
 None
 1.32A 3gyqA-4zweA:
undetectable
3gyqB-4zweA:
undetectable		 3gyqA-4zweA:
18.29
3gyqB-4zweA:
18.29
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.
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo sapiens) 		PF01966
(HD) 		5 LEU A 132
GLY A 176
ILE A 136
LEU A 169
ARG A 318
 None
None
DG3  A2002 ( 4.9A)
None
None
 1.29A 3gyqA-5ao0A:
undetectable
3gyqB-5ao0A:
undetectable		 3gyqA-5ao0A:
17.53
3gyqB-5ao0A:
17.53
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.
5b7s CYSTEINE DESULFURASE

(Thermococcus
onnurineus) 		PF00266
(Aminotran_5) 		5 LEU A 277
ALA A 279
GLY A 272
ILE A  68
SER A  65
 None
 1.28A 3gyqA-5b7sA:
undetectable
3gyqB-5b7sA:
undetectable		 3gyqA-5b7sA:
18.90
3gyqB-5b7sA:
18.90
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.
5co4 PUTATIVE TRNA
(CYTIDINE(34)-2'-O)-
METHYLTRANSFERASE

(Thermus
thermophilus) 		no annotation 6 ALA B  81
GLY B 101
ILE B 120
MET B 122
SER B 128
LEU B 129
 MTA  B 401 (-3.7A)
MTA  B 401 (-3.2A)
MTA  B 401 (-3.7A)
MTA  B 401 (-3.4A)
MTA  B 401 ( 3.9A)
MTA  B 401 (-4.3A)
 0.64A 3gyqA-5co4B:
17.2
3gyqB-5co4B:
17.1		 3gyqA-5co4B:
21.22
3gyqB-5co4B:
21.22
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.
5djs TETRATRICOPEPTIDE
TPR_2 REPEAT PROTEIN

(Thermobaculum
terrenum) 		PF13181
(TPR_8)
PF13844
(Glyco_transf_41) 		5 ALA A  11
ILE A   9
SER A  14
LEU A  13
ARG A  21
 None
 1.25A 3gyqA-5djsA:
3.6
3gyqB-5djsA:
3.7		 3gyqA-5djsA:
20.30
3gyqB-5djsA:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fse UREASE SUBUNIT ALPHA

(Sporosarcina
pasteurii) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 LEU C 259
ALA C 284
GLY C 257
ILE C 287
SER C 250
 None
 1.11A 3gyqA-5fseC:
undetectable
3gyqB-5fseC:
undetectable		 3gyqA-5fseC:
17.71
3gyqB-5fseC:
17.71
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.
5ghf AMINOTRANSFERASE
CLASS-III

(Ochrobactrum
anthropi) 		PF00202
(Aminotran_3) 		5 LEU A 294
ILE A 296
SER A 286
LEU A 289
SER A 290
 None
None
PMP  A 501 ( 4.3A)
None
None
 1.28A 3gyqA-5ghfA:
undetectable
3gyqB-5ghfA:
undetectable		 3gyqA-5ghfA:
22.39
3gyqB-5ghfA:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gmb TRNA
(CYTIDINE/URIDINE-2'
-O-)-METHYLTRANSFERA
SE TRMJ

(Pseudomonas
aeruginosa) 		PF00588
(SpoU_methylase) 		5 ALA A  81
GLY A 115
ILE A 135
SER A 143
LEU A 144
 None
 0.62A 3gyqA-5gmbA:
16.4
3gyqB-5gmbA:
16.4		 3gyqA-5gmbA:
23.16
3gyqB-5gmbA:
23.16
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.
5gw5 T-COMPLEX PROTEIN 1
SUBUNIT BETA

(Saccharomyces
cerevisiae) 		PF00118
(Cpn60_TCP1) 		5 ALA b 501
GLY b  91
ILE b  80
LEU b  77
SER b  81
 None
 1.33A 3gyqA-5gw5b:
2.5
3gyqB-5gw5b:
2.6		 3gyqA-5gw5b:
22.50
3gyqB-5gw5b:
22.50
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.
5h5x PUTATIVE
OXIDOREDUCTASE

(Streptomyces
coelicolor) 		PF13561
(adh_short_C2) 		5 ALA A 146
GLY A  19
ILE A 143
SER A  96
LEU A  97
 None
 1.27A 3gyqA-5h5xA:
3.0
3gyqB-5h5xA:
3.0		 3gyqA-5h5xA:
23.05
3gyqB-5h5xA:
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.
5hpi P-HYDROXYBENZOATE
HYDROXYLASE
TRANSCRIPTIONAL
ACTIVATOR

(Acinetobacter
sp. ADP1) 		PF01614
(IclR) 		5 ALA A 222
GLY A 162
ILE A 223
SER A 212
LEU A 211
 3HB  A 301 (-3.2A)
None
None
3HB  A 301 ( 3.9A)
None
 1.27A 3gyqA-5hpiA:
undetectable
3gyqB-5hpiA:
undetectable		 3gyqA-5hpiA:
21.17
3gyqB-5hpiA:
21.17
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.
5iy9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1

(Homo sapiens) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 LEU A1343
GLY A1340
ILE A1365
SER A1359
ARG A1123
 None
 1.07A 3gyqA-5iy9A:
undetectable
3gyqB-5iy9A:
undetectable		 3gyqA-5iy9A:
11.75
3gyqB-5iy9A:
11.75
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.
5jj2 A-KINASE ANCHOR
PROTEIN 7 ISOFORM
GAMMA

(Homo sapiens) 		PF10469
(AKAP7_NLS) 		5 LEU A 149
ALA A 147
ILE A 145
LEU A 262
SER A 279
 None
 1.13A 3gyqA-5jj2A:
undetectable
3gyqB-5jj2A:
undetectable		 3gyqA-5jj2A:
23.36
3gyqB-5jj2A:
23.36
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.
5szs SPIKE GLYCOPROTEIN

(Human
coronavirus
NL63) 		PF01600
(Corona_S1)
PF01601
(Corona_S2) 		5 LEU A 168
ALA A  76
GLY A  80
SER A 172
LEU A 171
 None
 1.23A 3gyqA-5szsA:
undetectable
3gyqB-5szsA:
undetectable		 3gyqA-5szsA:
12.33
3gyqB-5szsA:
12.33
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.
5t5q SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE
SDR:GLUCOSE/RIBITOL
DEHYDROGENASE

(Brucella
abortus) 		PF13561
(adh_short_C2) 		5 LEU A 126
ALA A 128
LYS A 130
LEU A  87
ARG A   8
 None
 1.31A 3gyqA-5t5qA:
2.9
3gyqB-5t5qA:
3.0		 3gyqA-5t5qA:
25.84
3gyqB-5t5qA:
25.84
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.
5u09 CANNABINOID RECEPTOR
1,GLGA GLYCOGEN
SYNTHASE

(Homo sapiens;
Pyrococcus
abyssi) 		PF00001
(7tm_1)
PF00534
(Glycos_transf_1) 		5 LEU A1012
GLY A1014
SER A1022
LEU A1023
SER A1111
 None
 1.26A 3gyqA-5u09A:
3.7
3gyqB-5u09A:
3.5		 3gyqA-5u09A:
21.76
3gyqB-5u09A:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vve PHOSPHOGLYCERATE
MUTASE

(Naegleria
fowleri) 		PF00300
(His_Phos_1) 		5 ALA A  62
GLY A  23
SER A  57
LEU A  86
SER A 186
 None
 1.04A 3gyqA-5vveA:
undetectable
3gyqB-5vveA:
undetectable		 3gyqA-5vveA:
19.23
3gyqB-5vveA:
19.23
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.
5wrr PSEUDOKINASE FAM20A

(Homo sapiens) 		PF06702
(Fam20C) 		5 LEU A 226
GLY A 232
SER A 195
ARG A 136
ARG A 132
 None
 1.29A 3gyqA-5wrrA:
undetectable
3gyqB-5wrrA:
undetectable		 3gyqA-5wrrA:
21.99
3gyqB-5wrrA:
21.99
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.
5xjn CYTOCHROME P450

(Corynebacterium
glutamicum) 		PF00067
(p450) 		5 LEU A 176
ALA A 179
GLY A 266
MET A 224
LEU A 259
 None
None
HEM  A 502 (-3.6A)
None
None
 1.28A 3gyqA-5xjnA:
undetectable
3gyqB-5xjnA:
undetectable		 3gyqA-5xjnA:
22.64
3gyqB-5xjnA:
22.64
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.
5xww AMPHB

(Streptomyces
nodosus) 		no annotation 5 LEU A 161
ALA A 190
GLY A 141
ILE A 162
LEU A 164
 None
 1.23A 3gyqA-5xwwA:
2.6
3gyqB-5xwwA:
2.7		 3gyqA-5xwwA:
undetectable
3gyqB-5xwwA:
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.
5y35 -

(-) 		no annotation 5 ALA B  63
GLY B  24
SER B  58
LEU B  87
SER B 189
 None
 0.95A 3gyqA-5y35B:
undetectable
3gyqB-5y35B:
undetectable		 3gyqA-5y35B:
undetectable
3gyqB-5y35B:
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.
5z73 ALR0819 PROTEIN

(Nostoc sp. PCC
7120) 		no annotation 5 LEU A 311
ALA A 313
ILE A 314
SER A 316
ARG A 140
 None
 1.29A 3gyqA-5z73A:
undetectable
3gyqB-5z73A:
undetectable		 3gyqA-5z73A:
undetectable
3gyqB-5z73A:
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.
6c62 BIURET HYDROLASE

(Pseudomonas sp.
ADP) 		no annotation 5 ALA A 156
GLY A 117
ILE A 158
LEU A 212
SER A 166
 None
 1.19A 3gyqA-6c62A:
undetectable
3gyqB-6c62A:
undetectable		 3gyqA-6c62A:
undetectable
3gyqB-6c62A:
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.
6g2j NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
6
NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
4L

(Mus musculus;
Mus musculus) 		no annotation
no annotation 		5 LEU K  64
ILE K  61
MET K  57
SER K  45
LEU J  51
 None
 1.35A 3gyqA-6g2jK:
undetectable
3gyqB-6g2jK:
undetectable		 3gyqA-6g2jK:
undetectable
3gyqB-6g2jK:
undetectable