SIMILAR PATTERNS OF AMINO ACIDS FOR 4QTU_D_SAMD301_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.
1a8s CHLOROPEROXIDASE F

(Pseudomonas
fluorescens) 		PF00561
(Abhydrolase_1) 		5 GLY A  96
GLY A  27
ILE A 118
SER A 119
ALA A 120
 None
PPI  A 278 ( 3.7A)
None
None
None
 0.94A 4qtuD-1a8sA:
2.7		 4qtuD-1a8sA:
24.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ao0 GLUTAMINE
PHOSPHORIBOSYLPYROPH
OSPHATE
AMIDOTRANSFERASE

(Bacillus
subtilis) 		PF00156
(Pribosyltran)
PF13522
(GATase_6) 		5 GLY A   5
GLY A  69
ILE A  15
SER A 193
ALA A 192
 None
 1.12A 4qtuD-1ao0A:
undetectable		 4qtuD-1ao0A:
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.
1b25 PROTEIN
(FORMALDEHYDE
FERREDOXIN
OXIDOREDUCTASE)

(Pyrococcus
furiosus) 		PF01314
(AFOR_C)
PF02730
(AFOR_N) 		5 GLY A  36
GLY A  34
ILE A  41
ALA A  39
ARG A 587
 None
 0.95A 4qtuD-1b25A:
undetectable		 4qtuD-1b25A:
15.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f0p ANTIGEN 85-B

(Mycobacterium
tuberculosis) 		PF00756
(Esterase) 		5 GLY A  88
GLY A 173
SER A  76
ALA A  90
ARG A  20
 None
 1.05A 4qtuD-1f0pA:
undetectable		 4qtuD-1f0pA:
23.18
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.
1gpj GLUTAMYL-TRNA
REDUCTASE

(Methanopyrus
kandleri) 		PF00745
(GlutR_dimer)
PF01488
(Shikimate_DH)
PF05201
(GlutR_N) 		5 GLY A 134
ILE A 143
SER A 144
ILE A 131
ALA A  89
 None
 1.10A 4qtuD-1gpjA:
5.0		 4qtuD-1gpjA:
18.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jjf ENDO-1,4-BETA-XYLANA
SE Z

(Ruminiclostridium
thermocellum) 		PF00756
(Esterase) 		5 GLY A 176
GLY A 174
ILE A 195
SER A 196
ALA A 197
 None
 1.07A 4qtuD-1jjfA:
undetectable		 4qtuD-1jjfA:
22.38
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.
1kph CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE 1

(Mycobacterium
tuberculosis) 		PF02353
(CMAS) 		5 GLY A  72
GLY A  74
SER A  96
ILE A 136
ALA A 138
 SAH  A1900 (-3.1A)
SAH  A1900 (-3.2A)
None
SAH  A1900 (-4.2A)
SAH  A1900 (-3.2A)
 0.38A 4qtuD-1kphA:
16.8		 4qtuD-1kphA:
22.84
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.
1l1e MYCOLIC ACID
SYNTHASE

(Mycobacterium
tuberculosis) 		PF02353
(CMAS) 		6 GLY A  72
GLY A  74
SER A  96
ILE A 136
ALA A 138
ARG A 146
 SAH  A 900 (-3.1A)
SAH  A 900 (-3.4A)
None
SAH  A 900 (-3.9A)
SAH  A 900 (-3.4A)
SAH  A 900 (-4.6A)
 0.84A 4qtuD-1l1eA:
17.1		 4qtuD-1l1eA:
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.
1ldi GLYCEROL UPTAKE
FACILITATOR PROTEIN

(Escherichia
coli) 		PF00230
(MIP) 		5 GLY A 247
GLY A 243
ILE A 158
MET A 153
ALA A 250
 None
 0.96A 4qtuD-1ldiA:
undetectable		 4qtuD-1ldiA:
20.21
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.
1ljy MGP-40

(Capra hircus) 		PF00704
(Glyco_hydro_18) 		5 GLY A 236
ILE A 180
MET A 329
MET A 223
ALA A 159
 None
 1.08A 4qtuD-1ljyA:
undetectable		 4qtuD-1ljyA:
20.38
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.
1nkv HYPOTHETICAL PROTEIN
YJHP

(Escherichia
coli) 		PF13847
(Methyltransf_31) 		5 GLY A  44
GLY A  46
SER A  68
ALA A 112
TRP A 114
 None
 0.86A 4qtuD-1nkvA:
14.4		 4qtuD-1nkvA:
23.72
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.
1p91 RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE A

(Escherichia
coli) 		PF13847
(Methyltransf_31) 		5 GLY A  93
GLY A  95
SER A 118
ILE A 155
ALA A 157
 None
SAM  A1401 (-3.4A)
None
SAM  A1401 (-4.2A)
None
 0.58A 4qtuD-1p91A:
15.3		 4qtuD-1p91A:
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.
1ps9 2,4-DIENOYL-COA
REDUCTASE

(Escherichia
coli) 		PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2) 		5 GLY A 385
GLY A 380
ILE A 408
ILE A 460
ALA A 389
 None
FAD  A 701 (-2.9A)
None
None
None
 1.07A 4qtuD-1ps9A:
undetectable		 4qtuD-1ps9A:
15.92
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.
1ptj NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA PART 1

(Rhodospirillum
rubrum) 		PF01262
(AlaDh_PNT_C)
PF05222
(AlaDh_PNT_N) 		5 GLY A 145
GLY A 184
ILE A 291
SER A 141
ALA A 144
 None
None
None
SND  A 500 ( 4.7A)
None
 1.18A 4qtuD-1ptjA:
3.8		 4qtuD-1ptjA:
19.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q1q SULFOTRANSFERASE
FAMILY, CYTOSOLIC,
2B, MEMBER 1 ISOFORM
A

(Homo sapiens) 		PF00685
(Sulfotransfer_1) 		5 TYR A  16
GLY A 149
GLY A  14
SER A 145
ALA A 148
 None
 1.12A 4qtuD-1q1qA:
undetectable		 4qtuD-1q1qA:
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.
1q20 SULFOTRANSFERASE
FAMILY, CYTOSOLIC,
2B, MEMBER 1 ISOFORM
B

(Homo sapiens) 		PF00685
(Sulfotransfer_1) 		5 TYR A  31
GLY A 164
GLY A  29
SER A 160
ALA A 163
 None
NA  A 313 ( 4.4A)
None
None
NA  A 313 (-4.5A)
 1.11A 4qtuD-1q20A:
undetectable		 4qtuD-1q20A:
19.54
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.
1s4d UROPORPHYRIN-III
C-METHYLTRANSFERASE

(Pseudomonas
denitrificans
(nomen
rejiciendum)) 		PF00590
(TP_methylase) 		5 GLY A 135
GLY A 132
ILE A 129
ILE A 141
ALA A 137
 None
None
GOL  A1001 (-3.5A)
None
None
 0.95A 4qtuD-1s4dA:
2.2		 4qtuD-1s4dA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sfr ANTIGEN 85-A

(Mycobacterium
tuberculosis) 		PF00756
(Esterase) 		5 GLY A  88
GLY A 173
SER A  76
ALA A  90
ARG A  20
 None
 0.99A 4qtuD-1sfrA:
undetectable		 4qtuD-1sfrA:
23.13
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.
1tpy METHOXY MYCOLIC ACID
SYNTHASE 2

(Mycobacterium
tuberculosis) 		PF02353
(CMAS) 		5 GLY A  72
GLY A  74
SER A  96
ILE A 136
ALA A 138
 SAH  A1900 (-3.2A)
SAH  A1900 (-3.3A)
None
SAH  A1900 (-3.6A)
SAH  A1900 (-3.1A)
 0.40A 4qtuD-1tpyA:
17.1		 4qtuD-1tpyA:
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.
1u7g PROBABLE AMMONIUM
TRANSPORTER

(Escherichia
coli) 		PF00909
(Ammonium_transp) 		5 GLY A 268
GLY A 292
ILE A 242
ILE A 287
ALA A 237
 None
 1.02A 4qtuD-1u7gA:
undetectable		 4qtuD-1u7gA:
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.
1ve3 HYPOTHETICAL PROTEIN
PH0226

(Pyrococcus
horikoshii) 		PF13649
(Methyltransf_25) 		5 GLY A  48
ILE A  68
SER A  69
MET A  72
ILE A 110
 SAM  A 302 (-3.6A)
SAM  A 302 (-3.7A)
SAM  A 302 (-4.7A)
SAM  A 302 (-3.9A)
SAM  A 302 (-3.8A)
 0.49A 4qtuD-1ve3A:
20.3		 4qtuD-1ve3A:
23.08
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.
1vlm SAM-DEPENDENT
METHYLTRANSFERASE

(Thermotoga
maritima) 		PF08241
(Methyltransf_11) 		5 TYR A  12
GLY A  43
GLY A  45
SER A  62
MET A  65
 None
NA  A 300 (-4.1A)
None
None
None
 0.64A 4qtuD-1vlmA:
16.7		 4qtuD-1vlmA:
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.
1xdi RV3303C-LPDA

(Mycobacterium
tuberculosis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  10
GLY A  38
ILE A 101
SER A  98
ILE A  34
 FAD  A 999 (-4.8A)
None
None
None
None
 1.07A 4qtuD-1xdiA:
3.7		 4qtuD-1xdiA:
18.84
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.
1xtp LMAJ004091AAA

(Leishmania
major) 		PF05891
(Methyltransf_PK) 		5 GLY A 101
GLY A 103
MET A 128
MET A 149
ILE A 107
 SAI  A 401 (-3.4A)
SAI  A 401 (-3.2A)
SAI  A 401 ( 4.9A)
SAI  A 401 (-4.4A)
SAI  A 401 (-4.9A)
 1.01A 4qtuD-1xtpA:
15.2		 4qtuD-1xtpA:
22.14
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.
1yew PARTICULATE METHANE
MONOOXYGENASE, A
SUBUNIT
PARTICULATE METHANE
MONOOXYGENASE
SUBUNIT C2

(Methylococcus
capsulatus;
Methylococcus
capsulatus) 		PF02461
(AMO)
PF04896
(AmoC) 		5 TYR C 141
GLY C 148
ILE B  39
SER B  36
ILE C 183
 None
 1.17A 4qtuD-1yewC:
undetectable		 4qtuD-1yewC:
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.
2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN

(Thermotoga
maritima) 		PF08241
(Methyltransf_11) 		5 TYR A  16
GLY A  50
GLY A  52
SER A  73
MET A  76
 SAI  A1300 (-4.9A)
SAI  A1300 (-3.5A)
SAI  A1300 (-3.5A)
SAI  A1300 (-4.7A)
SAI  A1300 ( 4.2A)
 0.36A 4qtuD-2avnA:
16.6		 4qtuD-2avnA:
21.64
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.
2fk7 METHOXY MYCOLIC ACID
SYNTHASE 4

(Mycobacterium
tuberculosis) 		PF02353
(CMAS) 		5 GLY A  81
GLY A  83
SER A 105
ILE A 145
ALA A 147
 None
 0.52A 4qtuD-2fk7A:
15.3		 4qtuD-2fk7A:
22.05
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.
2gqf HYPOTHETICAL PROTEIN
HI0933

(Haemophilus
influenzae) 		PF03486
(HI0933_like) 		5 GLY A  16
GLY A  11
ILE A  39
ILE A 161
ALA A  20
 None
FAD  A 403 (-3.1A)
None
None
None
 1.11A 4qtuD-2gqfA:
undetectable		 4qtuD-2gqfA:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gs9 HYPOTHETICAL PROTEIN
TT1324

(Thermus
thermophilus) 		PF08241
(Methyltransf_11) 		5 TYR A  11
GLY A  45
GLY A  47
SER A  66
MET A  69
 None
SAH  A 301 (-3.7A)
SAH  A 301 (-3.5A)
SAH  A 301 (-4.5A)
SAH  A 301 (-4.2A)
 0.41A 4qtuD-2gs9A:
15.0		 4qtuD-2gs9A:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iht CARBOXYETHYLARGININE
SYNTHASE

(Streptomyces
clavuligerus) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 GLY A 441
ILE A 410
SER A 437
ILE A 446
ALA A 444
 None
TPP  A 600 (-4.5A)
TPP  A 600 (-3.5A)
None
None
 1.08A 4qtuD-2ihtA:
undetectable		 4qtuD-2ihtA:
15.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2n2l OUTER MEMBRANE
PROTEIN X

(Yersinia pestis) 		PF13505
(OMP_b-brl) 		5 TYR A  88
GLY A 153
ILE A   6
ILE A 131
ALA A 152
 None
 1.13A 4qtuD-2n2lA:
undetectable		 4qtuD-2n2lA:
20.49
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.
2ok8 PUTATIVE
FERREDOXIN--NADP
REDUCTASE

(Plasmodium
falciparum) 		PF00175
(NAD_binding_1) 		5 GLY A 216
GLY A 179
SER A 222
ILE A 289
SER A 256
 None
 1.18A 4qtuD-2ok8A:
2.4		 4qtuD-2ok8A:
17.33
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.
2pbh PROCATHEPSIN B

(Homo sapiens) 		PF00112
(Peptidase_C1)
PF08127
(Propeptide_C1) 		5 GLY A  33
ILE A  38
SER A  39
SER A  28
ALA A  31
 None
 1.17A 4qtuD-2pbhA:
undetectable		 4qtuD-2pbhA:
19.31
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.
2pw9 PUTATIVE FORMATE
DEHYDROGENASE
ACCESSORY PROTEIN

(Desulfotalea
psychrophila) 		PF02634
(FdhD-NarQ) 		5 GLY A 157
ILE A 137
SER A 193
ALA A 194
TRP A 159
 None
 1.15A 4qtuD-2pw9A:
undetectable		 4qtuD-2pw9A:
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.
2q0f RNA URIDYLYL
TRANSFERASE

(Trypanosoma
brucei) 		PF03828
(PAP_assoc) 		5 GLY A 184
GLY A 176
ILE A 182
ILE A 186
ALA A 179
 None
 1.14A 4qtuD-2q0fA:
undetectable		 4qtuD-2q0fA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q27 OXALYL-COA
DECARBOXYLASE

(Escherichia
coli) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 GLY A  28
GLY A  50
ILE A  26
SER A  56
ALA A  57
 None
 1.09A 4qtuD-2q27A:
undetectable		 4qtuD-2q27A:
16.10
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.
2qgn TRNA
DELTA(2)-ISOPENTENYL
PYROPHOSPHATE
TRANSFERASE

(Bacillus
halodurans) 		PF01715
(IPPT) 		5 GLY A 242
GLY A  46
SER A 237
ALA A 240
ARG A 273
 None
 1.12A 4qtuD-2qgnA:
undetectable		 4qtuD-2qgnA:
22.92
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.
2waa XYLAN ESTERASE,
PUTATIVE, AXE2C

(Cellvibrio
japonicus) 		PF13472
(Lipase_GDSL_2) 		5 TYR A 248
GLY A 273
ILE A 275
SER A 231
ALA A 232
 None
 1.14A 4qtuD-2waaA:
4.5		 4qtuD-2waaA:
23.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aja PUTATIVE
UNCHARACTERIZED
PROTEIN

(Mycolicibacterium
smegmatis) 		PF01083
(Cutinase) 		5 TYR A 127
GLY A 174
ILE A 172
SER A 176
ALA A 179
 None
 1.17A 4qtuD-3ajaA:
undetectable		 4qtuD-3ajaA:
18.51
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.
3b05 ISOPENTENYL-DIPHOSPH
ATE DELTA-ISOMERASE

(Sulfolobus
shibatae) 		PF01070
(FMN_dh) 		5 GLY A 272
GLY A 294
MET A 295
ILE A 286
ALA A 285
 None
 1.16A 4qtuD-3b05A:
undetectable		 4qtuD-3b05A:
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.
3b4w ALDEHYDE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF00171
(Aldedh) 		5 GLY A 417
GLY A 440
ILE A 434
SER A 431
ALA A 416
 None
 0.99A 4qtuD-3b4wA:
4.0		 4qtuD-3b4wA:
18.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3be8 NEUROLIGIN-4,
X-LINKED

(Homo sapiens) 		PF00135
(COesterase) 		5 GLY A 256
GLY A 254
SER A 176
ILE A 278
SER A 261
 None
PO4  A 623 (-3.3A)
PO4  A 623 (-2.5A)
None
None
 1.04A 4qtuD-3be8A:
undetectable		 4qtuD-3be8A:
16.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bkw S-ADENOSYLMETHIONINE
DEPENDENT
METHYLTRANSFERASE

(Mesorhizobium
japonicum) 		PF08241
(Methyltransf_11) 		6 GLY A  50
GLY A  52
SER A  74
MET A  77
SER A 113
ALA A 115
 None
 1.33A 4qtuD-3bkwA:
17.9		 4qtuD-3bkwA:
22.76
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.
3d2l SAM-DEPENDENT
METHYLTRANSFERASE

(Exiguobacterium
sibiricum) 		PF13649
(Methyltransf_25) 		5 GLY A  40
GLY A  42
SER A  62
MET A  65
MET A  87
 None
 0.71A 4qtuD-3d2lA:
18.7		 4qtuD-3d2lA:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dli METHYLTRANSFERASE

(Archaeoglobus
fulgidus) 		PF13489
(Methyltransf_23) 		6 GLY A 290
GLY A 292
ILE A 312
MET A 316
SER A 349
ARG A 359
 None
 1.22A 4qtuD-3dliA:
18.8		 4qtuD-3dliA:
24.10
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.
3ege PUTATIVE
METHYLTRANSFERASE
FROM ANTIBIOTIC
BIOSYNTHESIS PATHWAY

(Trichormus
variabilis) 		PF08241
(Methyltransf_11) 		5 GLY A  41
GLY A  43
SER A  64
ILE A 100
ALA A 102
 EDO  A 261 (-3.2A)
EDO  A 261 ( 3.9A)
None
None
EDO  A 261 ( 3.8A)
 0.58A 4qtuD-3egeA:
16.4		 4qtuD-3egeA:
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.
3ege PUTATIVE
METHYLTRANSFERASE
FROM ANTIBIOTIC
BIOSYNTHESIS PATHWAY

(Trichormus
variabilis) 		PF08241
(Methyltransf_11) 		5 GLY A  41
GLY A  43
SER A  64
MET A  67
ILE A 100
 EDO  A 261 (-3.2A)
EDO  A 261 ( 3.9A)
None
EDO  A 261 ( 4.1A)
None
 0.79A 4qtuD-3egeA:
16.4		 4qtuD-3egeA:
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.
3fv3 SAPP1P-SECRETED
ASPARTIC PROTEASE 1

(Candida
parapsilosis) 		PF00026
(Asp) 		5 GLY A 271
GLY A 273
ILE A 199
SER A 203
ALA A 202
 None
 1.13A 4qtuD-3fv3A:
undetectable		 4qtuD-3fv3A:
20.23
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.
3g5l PUTATIVE
S-ADENOSYLMETHIONINE
DEPENDENT
METHYLTRANSFERASE

(Listeria
monocytogenes) 		PF13649
(Methyltransf_25) 		6 GLY A  50
GLY A  52
SER A  74
MET A  77
SER A 113
ALA A 115
 None
 1.48A 4qtuD-3g5lA:
17.4		 4qtuD-3g5lA:
25.37
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.
3g5t TRANS-ACONITATE
3-METHYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF13847
(Methyltransf_31) 		5 TYR A  14
GLY A  44
GLY A  46
MET A  73
TRP A 125
 SAH  A 308 ( 4.6A)
SAH  A 308 (-3.6A)
SAH  A 308 (-3.6A)
SAH  A 308 (-4.4A)
T8N  A 309 (-3.9A)
 0.89A 4qtuD-3g5tA:
13.9		 4qtuD-3g5tA:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g5t TRANS-ACONITATE
3-METHYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF13847
(Methyltransf_31) 		5 TYR A  14
GLY A  44
GLY A  46
SER A  70
MET A  73
 SAH  A 308 ( 4.6A)
SAH  A 308 (-3.6A)
SAH  A 308 (-3.6A)
SAH  A 308 (-4.8A)
SAH  A 308 (-4.4A)
 0.40A 4qtuD-3g5tA:
13.9		 4qtuD-3g5tA:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3go4 PROTEIN OF UNKNOWN
FUNCTION DUF574

(Streptomyces
avermitilis) 		PF04672
(Methyltransf_19) 		5 TYR A  27
GLY A  85
GLY A  87
MET A 139
ILE A 166
 SAH  A 277 (-4.3A)
SAH  A 277 (-3.4A)
SAH  A 277 (-3.1A)
None
SAH  A 277 (-3.8A)
 1.02A 4qtuD-3go4A:
12.2		 4qtuD-3go4A:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hnr PROBABLE
METHYLTRANSFERASE
BT9727_4108

(Bacillus
thuringiensis) 		PF08241
(Methyltransf_11) 		5 GLY A  53
GLY A  55
SER A  76
MET A  79
ALA A 115
 None
 0.46A 4qtuD-3hnrA:
16.9		 4qtuD-3hnrA:
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.
3ils AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE

(Aspergillus
parasiticus) 		PF00975
(Thioesterase) 		5 GLY A1940
GLY A1934
MET A1870
ILE A2035
TRP A1936
 None
 1.09A 4qtuD-3ilsA:
undetectable		 4qtuD-3ilsA:
20.88
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.
3k4h PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Bacillus
cytotoxicus) 		PF13377
(Peripla_BP_3) 		5 GLY A 204
GLY A 179
SER A 175
ILE A 196
ALA A 198
 None
 0.90A 4qtuD-3k4hA:
undetectable		 4qtuD-3k4hA:
24.17
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.
3l49 ABC SUGAR (RIBOSE)
TRANSPORTER,
PERIPLASMIC
SUBSTRATE-BINDING
SUBUNIT

(Rhodobacter
sphaeroides) 		PF13407
(Peripla_BP_4) 		5 GLY A 248
SER A 252
ILE A 221
ALA A 223
TRP A 225
 None
None
None
None
UNL  A   1 ( 4.7A)
 1.07A 4qtuD-3l49A:
3.2		 4qtuD-3l49A:
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.
3l8d METHYLTRANSFERASE

(Bacillus
thuringiensis) 		PF08241
(Methyltransf_11) 		6 GLY A  61
GLY A  63
ILE A  83
SER A  84
MET A  87
ILE A 123
 None
 0.62A 4qtuD-3l8dA:
16.0		 4qtuD-3l8dA:
23.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lrh ANTI-HUNTINGTIN VL
DOMAIN

(Homo sapiens) 		PF07686
(V-set) 		5 GLY A 102
GLY A 104
SER A   7
ILE A  37
ALA A  89
 None
 1.11A 4qtuD-3lrhA:
undetectable		 4qtuD-3lrhA:
23.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3px2 N-METHYLTRANSFERASE

(Streptomyces
fradiae) 		PF13649
(Methyltransf_25) 		5 TYR A  22
GLY A  60
SER A  81
MET A  84
MET A 102
 SAH  A 263 (-4.6A)
SAH  A 263 (-3.3A)
SAH  A 263 (-4.7A)
SAH  A 263 (-4.5A)
SAH  A 263 (-4.5A)
 0.49A 4qtuD-3px2A:
18.9		 4qtuD-3px2A:
23.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s2u UDP-N-ACETYLGLUCOSAM
INE--N-ACETYLMURAMYL
-(PENTAPEPTIDE)
PYROPHOSPHORYL-UNDEC
APRENOL
N-ACETYLGLUCOSAMINE
TRANSFERASE

(Pseudomonas
aeruginosa) 		PF03033
(Glyco_transf_28)
PF04101
(Glyco_tran_28_C) 		5 GLY A 107
GLY A 105
ILE A  57
ALA A 110
ARG A  86
 None
 1.12A 4qtuD-3s2uA:
3.7		 4qtuD-3s2uA:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v9e LACCASE

(Botrytis aclada) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 GLY A 141
GLY A 139
SER A 132
SER A  50
ALA A  51
 None
 1.11A 4qtuD-3v9eA:
undetectable		 4qtuD-3v9eA:
15.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vcy UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Aliivibrio
fischeri) 		PF00275
(EPSP_synthase) 		5 GLY A 224
GLY A 225
ILE A  73
SER A  33
ALA A  36
 None
 1.14A 4qtuD-3vcyA:
undetectable		 4qtuD-3vcyA:
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.
3w0l GLUCOKINASE
REGULATORY PROTEIN

(Xenopus laevis) 		no annotation 5 GLY B 108
ILE B 145
SER B 144
ILE B 178
ALA B 114
 F6R  B 701 (-3.6A)
None
None
None
None
 1.00A 4qtuD-3w0lB:
undetectable		 4qtuD-3w0lB:
16.00
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.
3zz1 BETA-D-GLUCOSIDE
GLUCOHYDROLASE

(Trichoderma
reesei) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 TYR A 443
GLY A 381
GLY A 440
ALA A 386
ARG A  93
 None
 1.18A 4qtuD-3zz1A:
undetectable		 4qtuD-3zz1A:
14.17
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.
4a5a NUCLEOSIDE-TRIPHOSPH
ATASE 1

(Toxoplasma
gondii) 		PF01150
(GDA1_CD39) 		5 GLY A 190
GLY A  72
SER A  75
SER A 282
ALA A 281
 ANP  A 700 (-4.6A)
ANP  A 700 (-3.6A)
ANP  A 700 ( 4.7A)
ANP  A 700 (-3.6A)
ANP  A 700 (-4.5A)
 1.01A 4qtuD-4a5aA:
undetectable		 4qtuD-4a5aA:
17.24
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.
4aip FE-REGULATED PROTEIN
B

(Neisseria
meningitidis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 GLY A 460
GLY A 459
SER A 157
ALA A 156
ARG A 533
 None
 0.99A 4qtuD-4aipA:
undetectable		 4qtuD-4aipA:
14.75
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.
4bgv MALATE DEHYDROGENASE

(Picrophilus
torridus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		6 TYR A  71
GLY A  62
ILE A  30
SER A   7
MET A  74
ALA A  40
 None
 1.36A 4qtuD-4bgvA:
6.8		 4qtuD-4bgvA:
20.06
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.
4c2t DNA HELICASE II

(Deinococcus
radiodurans) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 GLY A 146
ILE A 169
SER A 170
SER A 153
ALA A 151
 None
 1.05A 4qtuD-4c2tA:
undetectable		 4qtuD-4c2tA:
13.72
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.
4cu5 ENDOLYSIN

(Clostridium
virus phiCD27) 		no annotation 5 GLY A 195
ILE A 219
ILE A 200
SER A 201
ALA A 202
 None
 1.11A 4qtuD-4cu5A:
undetectable		 4qtuD-4cu5A:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dbe OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Sulfolobus
solfataricus) 		PF00215
(OMPdecase) 		5 GLY A 138
ILE A 134
SER A 135
ILE A  57
SER A  81
 None
 1.05A 4qtuD-4dbeA:
undetectable		 4qtuD-4dbeA:
19.13
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.
4f8x ENDO-1,4-BETA-XYLANA
SE

(Penicillium
canescens) 		PF00331
(Glyco_hydro_10) 		5 GLY A 164
GLY A 162
ILE A 208
SER A 215
ALA A 217
 None
 1.12A 4qtuD-4f8xA:
undetectable		 4qtuD-4f8xA:
19.76
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.
4hds ARSA

(Sporomusa ovata) 		PF02277
(DBI_PRT) 		5 GLY A 320
GLY A 322
MET A 325
SER A  98
ALA A  99
 None
 1.06A 4qtuD-4hdsA:
undetectable		 4qtuD-4hdsA:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iv8 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
knowlesi) 		PF08241
(Methyltransf_11) 		5 GLY A  61
GLY A  63
ILE A  84
MET A  88
ALA A 127
 SAM  A 301 (-3.5A)
SAM  A 301 ( 3.9A)
SAM  A 301 (-3.8A)
SAM  A 301 (-3.3A)
SAM  A 301 (-3.4A)
 0.78A 4qtuD-4iv8A:
18.6		 4qtuD-4iv8A:
24.17
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.
4kc5 RHIE PROTEIN

(Paraburkholderia
rhizoxinica) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A3253
ILE A3235
SER A3232
ILE A3296
ALA A3298
 None
 1.06A 4qtuD-4kc5A:
undetectable		 4qtuD-4kc5A:
12.72
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.
4lds BICYCLOMYCIN
RESISTANCE PROTEIN
TCAB

(Staphylococcus
epidermidis) 		PF00083
(Sugar_tr) 		5 GLY A  58
GLY A 106
ILE A  56
MET A  51
ILE A  78
 None
 1.09A 4qtuD-4ldsA:
undetectable		 4qtuD-4ldsA:
19.46
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.
4nec PUTATIVE
SAM-DEPENDENT
METHYLTRANSFERASE

(Streptomyces
lasaliensis) 		PF13649
(Methyltransf_25) 		5 GLY A  47
GLY A  49
SER A  70
SER A 111
ARG A 121
 SAH  A 401 (-3.9A)
SAH  A 401 (-3.6A)
SAH  A 401 ( 4.8A)
SAH  A 401 (-3.3A)
None
 1.16A 4qtuD-4necA:
16.3		 4qtuD-4necA:
25.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4obw 2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF01209
(Ubie_methyltran) 		5 GLY A 121
ILE A 149
MET A 153
ILE A 125
SER A 197
 None
SAM  A 602 (-3.8A)
SAM  A 602 (-3.7A)
None
SAM  A 602 (-2.9A)
 0.74A 4qtuD-4obwA:
18.5		 4qtuD-4obwA:
25.29
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.
4pdx PUTATIVE
ALKYL/ARYL-SULFATASE
YJCS

(Escherichia
coli) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		5 GLY A 638
MET A 623
ILE A 635
SER A 605
ALA A 604
 None
 1.08A 4qtuD-4pdxA:
undetectable		 4qtuD-4pdxA:
15.74
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.
4qdk MAGNESIUM-PROTOPORPH
YRIN
O-METHYLTRANSFERASE

(Synechocystis
sp. PCC 6803) 		PF07109
(Mg-por_mtran_C) 		6 TYR A  28
GLY A  70
GLY A  72
ILE A  92
SER A  93
MET A  96
 SAH  A 301 (-4.4A)
SAH  A 301 (-3.4A)
SAH  A 301 (-3.6A)
SAH  A 301 (-3.6A)
SAH  A 301 (-4.6A)
SAH  A 301 (-4.2A)
 0.95A 4qtuD-4qdkA:
17.2		 4qtuD-4qdkA:
26.72
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.
4qed ELXO

(Staphylococcus
epidermidis) 		PF13561
(adh_short_C2) 		5 GLY A 184
GLY A 215
ILE A 208
SER A 206
ILE A 242
 None
 1.02A 4qtuD-4qedA:
6.4		 4qtuD-4qedA:
20.91
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.
4qiq D-XYLOSE-PROTON
SYMPORTER

(Escherichia
coli) 		PF00083
(Sugar_tr) 		5 GLY A 139
GLY A  71
ILE A  90
SER A 144
ALA A 143
 None
 1.05A 4qtuD-4qiqA:
undetectable		 4qtuD-4qiqA:
17.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qtu PUTATIVE
METHYLTRANSFERASE
BUD23

(Saccharomyces
cerevisiae) 		PF08241
(Methyltransf_11) 		12 TYR B  22
GLY B  55
GLY B  57
ILE B  78
SER B  79
MET B  82
MET B 100
ILE B 117
SER B 118
ALA B 119
TRP B 122
ARG B 136
 SAM  B 301 (-4.6A)
SAM  B 301 (-3.7A)
SAM  B 301 (-3.3A)
SAM  B 301 (-3.7A)
EDO  B 310 ( 3.0A)
SAM  B 301 (-4.4A)
SAM  B 301 (-4.2A)
SAM  B 301 (-4.2A)
EDO  B 302 (-4.7A)
SAM  B 301 (-3.5A)
SAM  B 301 ( 4.1A)
SAM  B 301 ( 4.6A)
 0.29A 4qtuD-4qtuB:
35.0		 4qtuD-4qtuB:
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.
4u83 ACYL-COA
DEHYDROGENASE

(Brucella
abortus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		6 TYR A 360
GLY A  79
ILE A 350
ILE A  84
SER A 205
ALA A  80
 None
 1.48A 4qtuD-4u83A:
undetectable		 4qtuD-4u83A:
21.34
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.
4ure CYCLOHEXANOL
DEHYDROGENASE

(Aromatoleum
aromaticum) 		PF13561
(adh_short_C2) 		6 GLY A  12
GLY A  14
ILE A  37
SER A  38
ILE A  17
ARG A 109
 None
 1.48A 4qtuD-4ureA:
7.1		 4qtuD-4ureA:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aex AMMONIUM TRANSPORTER
MEP2

(Saccharomyces
cerevisiae) 		PF00909
(Ammonium_transp) 		5 GLY A 299
GLY A 323
ILE A 296
ILE A 318
ALA A 267
 None
 1.02A 4qtuD-5aexA:
undetectable		 4qtuD-5aexA:
18.52
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.
5aid MEP2

(Candida
albicans) 		PF00909
(Ammonium_transp) 		5 GLY A 242
GLY A 245
SER A 247
SER A  35
ALA A  34
 None
 0.98A 4qtuD-5aidA:
undetectable		 4qtuD-5aidA:
19.43
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.
5bnz GLUTAMINE--TRNA
LIGASE

(Pseudomonas
aeruginosa) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C) 		5 TYR A 242
GLY A 225
ILE A 223
SER A 220
ALA A 253
 None
 1.16A 4qtuD-5bnzA:
undetectable		 4qtuD-5bnzA:
16.75
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.
5but KTR SYSTEM POTASSIUM
UPTAKE PROTEIN A,KTR
SYSTEM POTASSIUM
UPTAKE PROTEIN A

(Bacillus
subtilis) 		PF02254
(TrkA_N) 		5 GLY A  18
GLY A 271
MET A 270
ILE A  75
ALA A  77
 None
 1.12A 4qtuD-5butA:
8.3		 4qtuD-5butA:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5but KTR SYSTEM POTASSIUM
UPTAKE PROTEIN A,KTR
SYSTEM POTASSIUM
UPTAKE PROTEIN A

(Bacillus
subtilis) 		PF02254
(TrkA_N) 		5 GLY A 160
GLY A 129
MET A 128
ILE A 217
ALA A 219
 None
 1.12A 4qtuD-5butA:
8.3		 4qtuD-5butA:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cm2 TRNA
METHYLTRANSFERASE

(Yarrowia
lipolytica) 		PF08241
(Methyltransf_11) 		5 GLY Z  64
GLY Z  66
SER Z  85
ILE Z 122
ARG Z 133
 None
 0.93A 4qtuD-5cm2Z:
15.8		 4qtuD-5cm2Z:
23.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d9a POLYMERASE BASIC
PROTEIN 2

(Influenza C
virus) 		PF00604
(Flu_PB2) 		5 GLY C 400
ILE C 503
ILE C 402
SER C 381
ALA C 382
 None
 0.97A 4qtuD-5d9aC:
undetectable		 4qtuD-5d9aC:
13.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hsi PUTATIVE
DECARBOXYLASE

(Lactobacillus
brevis) 		PF00282
(Pyridoxal_deC) 		5 GLY A 401
GLY A 158
ILE A 388
SER A 399
ALA A 400
 None
 1.17A 4qtuD-5hsiA:
undetectable		 4qtuD-5hsiA:
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.
5iai SUGAR ABC
TRANSPORTER

(Agrobacterium
tumefaciens) 		PF01547
(SBP_bac_1) 		5 TYR A 381
GLY A 315
GLY A 314
SER A 138
ALA A 152
 None
RB0  A 501 (-3.7A)
RB0  A 501 ( 4.0A)
None
None
 1.12A 4qtuD-5iaiA:
undetectable		 4qtuD-5iaiA:
17.85
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.
5jxr CHROMATIN-REMODELING
COMPLEX ATPASE-LIKE
PROTEIN

(Thermothelomyces
thermophila) 		PF00176
(SNF2_N)
PF00271
(Helicase_C) 		5 GLY A 193
ILE A 198
SER A 199
ILE A 603
ALA A 192
 None
 1.17A 4qtuD-5jxrA:
undetectable		 4qtuD-5jxrA:
14.59
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.
5lk7 VP1

(Slow bee
paralysis virus) 		PF08762
(CRPV_capsid) 		5 TYR A 221
GLY A  89
MET A 238
ILE A  94
SER A  95
 None
 1.13A 4qtuD-5lk7A:
undetectable		 4qtuD-5lk7A:
19.79
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.
5mkk MULTIDRUG RESISTANCE
ABC TRANSPORTER
ATP-BINDING AND
PERMEASE PROTEIN

(Thermus
thermophilus) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		5 GLY B 294
GLY B 296
MET B 299
ILE B 292
ARG B  80
 None
 1.15A 4qtuD-5mkkB:
undetectable		 4qtuD-5mkkB:
16.01
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.
5mpm SARCOPLASMIC/ENDOPLA
SMIC RETICULUM
CALCIUM ATPASE 2

(Sus scrofa) 		no annotation 5 GLY A 769
ILE A 764
SER A 765
ILE A 774
ALA A 305
 None
 1.13A 4qtuD-5mpmA:
2.5		 4qtuD-5mpmA:
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.
6cr0 (S)-6-HYDROXYNICOTIN
E OXIDASE

(Shinella sp.
HZN7) 		no annotation 5 GLY A 422
GLY A 404
ILE A 419
ALA A  20
ARG A  74
 None
FAD  A 507 (-3.2A)
None
None
None
 1.17A 4qtuD-6cr0A:
2.1		 4qtuD-6cr0A:
19.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f5z 24-STEROL
C-METHYLTRANSFERASE

(Haloferax
volcanii) 		no annotation 5 GLY A  46
GLY A  48
SER A  71
MET A  74
ALA A 112
 SAH  A 301 (-3.5A)
SAH  A 301 ( 3.7A)
None
SAH  A 301 (-4.0A)
SAH  A 301 (-3.5A)
 0.65A 4qtuD-6f5zA:
20.0		 4qtuD-6f5zA:
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.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Cyanidioschyzon
merolae) 		no annotation 5 GLY B 383
GLY B 333
ILE B 381
ILE B 390
ALA B 386
 CLA  B1226 (-3.4A)
BCR  B4008 ( 4.6A)
CLA  B1222 (-3.7A)
CLA  B1226 (-4.3A)
CLA  B1226 ( 4.4A)
 1.07A 4qtuD-6fosB:
undetectable		 4qtuD-6fosB:
undetectable