SIMILAR PATTERNS OF AMINO ACIDS FOR 3AI9_X_SAMX501_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.
1f8f BENZYL ALCOHOL
DEHYDROGENASE

(Acinetobacter
calcoaceticus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A 171
ILE A 175
GLY A 174
LEU A 168
SER A  68
 None
None
NAD  A 375 ( 4.7A)
None
None
 0.99A 3ai9X-1f8fA:
undetectable		 3ai9X-1f8fA:
18.72
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.
1gtk PORPHOBILINOGEN
DEAMINASE

(Escherichia
coli) 		PF01379
(Porphobil_deam)
PF03900
(Porphobil_deamC) 		5 LEU A 294
ILE A 272
GLY A 298
LEU A 290
SER A 289
 None
 1.06A 3ai9X-1gtkA:
undetectable		 3ai9X-1gtkA:
19.94
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.
1hkk CHITOTRIOSIDASE-1

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		5 LEU A 137
ILE A  96
GLY A  97
LEU A 180
LEU A  93
 None
 1.07A 3ai9X-1hkkA:
undetectable		 3ai9X-1hkkA:
19.83
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.
1idu VANADIUM
CHLOROPEROXIDASE

(Curvularia
inaequalis) 		PF01569
(PAP2) 		5 LEU A  57
ILE A  61
LEU A 110
SER A 111
LEU A 107
 None
 1.08A 3ai9X-1iduA:
undetectable		 3ai9X-1iduA:
16.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1iov D-ALA:D-ALA LIGASE

(Escherichia
coli) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		5 GLY A  85
SER A  22
SER A  19
GLU A  68
LEU A  62
 None
None
None
POB  A 321 ( 4.8A)
None
 1.11A 3ai9X-1iovA:
2.2		 3ai9X-1iovA:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mro METHYL-COENZYME M
REDUCTASE

(Methanothermobacter
marburgensis) 		PF02240
(MCR_gamma) 		5 ILE C  73
GLY C  75
SER C 134
GLU C 127
LEU C 130
 None
 1.09A 3ai9X-1mroC:
undetectable		 3ai9X-1mroC:
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.
1n71 AAC(6')-II

(Enterococcus
faecium) 		PF00583
(Acetyltransf_1) 		5 LEU A  76
ILE A  60
GLY A  61
GLU A  72
LEU A 109
 COA  A 601 (-4.2A)
None
None
None
None
 1.08A 3ai9X-1n71A:
undetectable		 3ai9X-1n71A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ns5 HYPOTHETICAL PROTEIN
YBEA

(Escherichia
coli) 		PF02590
(SPOUT_MTase) 		5 GLY A 104
SER A 121
LEU A 122
SER A 123
LEU A 127
 None
 0.85A 3ai9X-1ns5A:
7.3		 3ai9X-1ns5A:
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.
1ns5 HYPOTHETICAL PROTEIN
YBEA

(Escherichia
coli) 		PF02590
(SPOUT_MTase) 		7 LEU A  72
ILE A 102
GLY A 103
SER A 121
LEU A 122
SER A 123
LEU A 127
 None
 0.58A 3ai9X-1ns5A:
7.3		 3ai9X-1ns5A:
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.
1o6d HYPOTHETICAL UPF0247
PROTEIN TM0844

(Thermotoga
maritima) 		PF02590
(SPOUT_MTase) 		5 ILE A  99
GLY A 100
SER A 118
LEU A 119
SER A 120
 None
 0.61A 3ai9X-1o6dA:
7.9		 3ai9X-1o6dA:
25.00
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.
1oe5 SINGLE-STRAND
SELECTIVE
MONOFUNCTIONAL
URACIL DNA
GLYCOSYLASE

(Xenopus laevis) 		no annotation 5 LEU A 236
ILE A 241
GLY A 240
LEU A 209
CYH A 210
 None
 0.73A 3ai9X-1oe5A:
undetectable		 3ai9X-1oe5A:
19.84
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.
1qbg NAD(P)H
DEHYDROGENASE
[QUINONE] 1

(Homo sapiens) 		PF02525
(Flavodoxin_2) 		5 LEU A 176
ILE A 175
GLY A 174
LEU A 144
LEU A 168
 None
 1.06A 3ai9X-1qbgA:
2.3		 3ai9X-1qbgA:
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.
1rcu CONSERVED
HYPOTHETICAL PROTEIN
VT76

(Thermotoga
maritima) 		PF03641
(Lysine_decarbox) 		6 LEU A  21
ILE A 103
GLY A   8
SER A  19
LEU A  50
CYH A  25
 None
 1.37A 3ai9X-1rcuA:
undetectable		 3ai9X-1rcuA:
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.
1to0 HYPOTHETICAL UPF0247
PROTEIN YYDA

(Bacillus
subtilis) 		PF02590
(SPOUT_MTase) 		5 LEU A  76
ILE A 107
GLY A 108
SER A 126
SER A 128
 None
 0.59A 3ai9X-1to0A:
5.3		 3ai9X-1to0A:
25.00
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.
1v9p DNA LIGASE

(Thermus
filiformis) 		PF01653
(DNA_ligase_aden)
PF03120
(DNA_ligase_OB)
PF12826
(HHH_2)
PF14520
(HHH_5) 		5 LEU A 152
ILE A 158
LEU A 208
SER A 207
LEU A 221
 None
 0.99A 3ai9X-1v9pA:
undetectable		 3ai9X-1v9pA:
18.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vh0 HYPOTHETICAL UPF0247
PROTEIN
SAV0024/SA0023

(Staphylococcus
aureus) 		PF02590
(SPOUT_MTase) 		5 LEU A  76
ILE A 107
GLY A 108
SER A 126
SER A 128
 None
 0.49A 3ai9X-1vh0A:
6.9		 3ai9X-1vh0A:
21.30
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.
1w27 PHENYLALANINE
AMMONIA-LYASE 1

(Petroselinum
crispum) 		PF00221
(Lyase_aromatic) 		5 LEU A 597
ILE A 615
LEU A 566
GLU A 599
CYH A 562
 None
 1.13A 3ai9X-1w27A:
undetectable		 3ai9X-1w27A:
17.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wb0 CHITOTRIOSIDASE 1

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		5 LEU A 137
ILE A  96
GLY A  97
LEU A 180
LEU A  93
 None
 1.02A 3ai9X-1wb0A:
undetectable		 3ai9X-1wb0A:
17.67
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.
1xzq PROBABLE TRNA
MODIFICATION GTPASE
TRME
PROBABLE TRNA
MODIFICATION GTPASE
TRME

(Thermotoga
maritima;
Thermotoga
maritima) 		PF01926
(MMR_HSR1)
PF10396
(TrmE_N)
PF12631
(MnmE_helical)
PF10396
(TrmE_N) 		5 GLY B  83
SER A 141
LEU A 138
SER A 137
GLU A 131
 None
 1.07A 3ai9X-1xzqB:
undetectable		 3ai9X-1xzqB:
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.
2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE

(Ruminiclostridium
thermocellum) 		PF02012
(BNR) 		5 LEU A 659
ILE A 697
GLY A 699
LEU A 672
SER A 673
 None
 0.97A 3ai9X-2cn3A:
undetectable		 3ai9X-2cn3A:
15.28
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.
2duy COMPETENCE PROTEIN
COMEA-RELATED
PROTEIN

(Thermus
thermophilus) 		PF12836
(HHH_3) 		5 LEU A  32
ILE A  35
GLY A  34
LEU A  73
LEU A  66
 None
 0.99A 3ai9X-2duyA:
undetectable		 3ai9X-2duyA:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ej9 PUTATIVE BIOTIN
LIGASE

(Methanocaldococcus
jannaschii) 		PF02237
(BPL_C)
PF03099
(BPL_LplA_LipB) 		5 LEU A 107
ILE A  96
GLY A 109
SER A 141
LEU A 142
 None
None
BTN  A1301 (-3.4A)
None
None
 0.98A 3ai9X-2ej9A:
undetectable		 3ai9X-2ej9A:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2mab ACINIFORM SPIDROIN

(Nephila
antipodiana) 		PF11260
(Spidroin_MaSp) 		5 LEU A  25
ILE A  22
LEU A  29
SER A  30
LEU A  79
 None
 1.11A 3ai9X-2mabA:
undetectable		 3ai9X-2mabA:
16.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pny ISOPENTENYL-DIPHOSPH
ATE DELTA-ISOMERASE
2

(Homo sapiens) 		PF00293
(NUDIX) 		5 LEU A 112
ILE A 118
GLY A 117
SER A  86
GLU A 167
 None
None
None
POP  A 230 ( 2.7A)
POP  A 230 ( 4.3A)
 1.14A 3ai9X-2pnyA:
undetectable		 3ai9X-2pnyA:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ppt THIOREDOXIN-2

(Rhodobacter
capsulatus) 		PF00085
(Thioredoxin) 		5 LEU A  28
ILE A  42
GLY A  31
LEU A  10
SER A   9
 None
 1.13A 3ai9X-2pptA:
undetectable		 3ai9X-2pptA:
22.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qmm UPF0217 PROTEIN
AF_1056

(Archaeoglobus
fulgidus) 		PF04013
(Methyltrn_RNA_2) 		8 LEU A 221
ILE A 241
GLY A 242
SER A 264
LEU A 265
SER A 266
LEU A 270
CYH A 275
 SAM  A 301 (-4.3A)
SAM  A 301 ( 4.8A)
SAM  A 301 (-3.6A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.4A)
SAM  A 301 (-4.2A)
SAM  A 301 (-4.5A)
SAM  A 301 (-3.1A)
 0.36A 3ai9X-2qmmA:
31.2		 3ai9X-2qmmA:
43.81
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.
2qrx GM27569P

(Drosophila
melanogaster) 		PF01997
(Translin) 		5 LEU A 148
ILE A 145
GLY A 144
LEU A 152
SER A 153
 None
 1.08A 3ai9X-2qrxA:
undetectable		 3ai9X-2qrxA:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rd9 BH0186 PROTEIN

(Bacillus
halodurans) 		PF12867
(DinB_2) 		5 ILE A  64
GLY A 122
SER A 137
LEU A 136
LEU A 118
 None
None
None
None
IMD  A 302 ( 4.9A)
 1.08A 3ai9X-2rd9A:
undetectable		 3ai9X-2rd9A:
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.
2rd9 BH0186 PROTEIN

(Bacillus
halodurans) 		PF12867
(DinB_2) 		5 LEU A 135
ILE A  64
GLY A 122
SER A 137
LEU A 118
 None
None
None
None
IMD  A 302 ( 4.9A)
 1.07A 3ai9X-2rd9A:
undetectable		 3ai9X-2rd9A:
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.
2vrn PROTEASE I

(Deinococcus
radiodurans) 		PF01965
(DJ-1_PfpI) 		5 LEU A 121
ILE A 126
GLY A 125
LEU A  81
GLU A 123
 None
 1.04A 3ai9X-2vrnA:
undetectable		 3ai9X-2vrnA:
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.
2yqe JUMONJI/ARID
DOMAIN-CONTAINING
PROTEIN 1D

(Homo sapiens) 		PF01388
(ARID) 		6 ILE A 128
GLY A 123
SER A 116
LEU A 115
SER A 114
GLU A 121
 None
 1.18A 3ai9X-2yqeA:
undetectable		 3ai9X-2yqeA:
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.
3aei PREFOLDIN BETA
SUBUNIT 2

(Thermococcus
sp. JCM 11816) 		PF01920
(Prefoldin_2) 		5 ILE A  37
GLY A  35
SER A  69
GLU A  31
LEU A  30
 None
None
SO4  A 100 (-3.4A)
None
None
 1.07A 3ai9X-3aeiA:
undetectable		 3ai9X-3aeiA:
20.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ai9 UPF0217 PROTEIN
MJ1640

(Methanocaldococcus
jannaschii) 		PF04013
(Methyltrn_RNA_2) 		9 LEU X 136
ILE X 155
GLY X 156
SER X 178
LEU X 179
SER X 180
GLU X 183
LEU X 184
CYH X 189
 SAM  X 501 (-4.3A)
SAM  X 501 ( 4.8A)
SAM  X 501 (-3.2A)
SAM  X 501 ( 3.7A)
SAM  X 501 (-4.4A)
SAM  X 501 (-4.2A)
SAM  X 501 (-4.7A)
SAM  X 501 (-4.3A)
SAM  X 501 (-3.3A)
 0.03A 3ai9X-3ai9X:
41.6		 3ai9X-3ai9X:
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.
3co8 ALANINE RACEMASE

(Oenococcus oeni) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 LEU A 248
ILE A 333
GLY A 334
SER A 250
LEU A 298
 None
 1.06A 3ai9X-3co8A:
undetectable		 3ai9X-3co8A:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d37 TAIL PROTEIN, 43 KDA

(Neisseria
meningitidis) 		no annotation 5 LEU A  87
ILE A  42
GLY A  43
LEU A  89
SER A  90
 None
 1.09A 3ai9X-3d37A:
undetectable		 3ai9X-3d37A:
17.77
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.
3e1h PUTATIVE
UNCHARACTERIZED
PROTEIN

(Neurospora
crassa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 LEU A 219
ILE A 178
SER A  13
LEU A  12
CYH A 166
 None
 1.05A 3ai9X-3e1hA:
undetectable		 3ai9X-3e1hA:
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.
3euo TYPE III PENTAKETIDE
SYNTHASE

(Neurospora
crassa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 LEU A 219
ILE A 178
SER A  13
LEU A  12
CYH A 166
 None
 1.12A 3ai9X-3euoA:
undetectable		 3ai9X-3euoA:
18.70
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.
3hjz TRANSALDOLASE B

(Prochlorococcus
marinus) 		PF00923
(TAL_FSA) 		5 LEU A 262
GLY A 260
LEU A   8
SER A   9
LEU A   5
 None
EDO  A 334 ( 4.7A)
None
EDO  A 338 (-3.5A)
EDO  A 338 (-4.0A)
 0.98A 3ai9X-3hjzA:
undetectable		 3ai9X-3hjzA:
21.24
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.
3kcx HYPOXIA-INDUCIBLE
FACTOR 1-ALPHA
INHIBITOR

(Homo sapiens) 		PF13621
(Cupin_8) 		5 LEU A 146
ILE A 189
GLY A 190
SER A  91
LEU A 186
 None
 1.09A 3ai9X-3kcxA:
undetectable		 3ai9X-3kcxA:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3khn MOTB PROTEIN,
PUTATIVE

(Desulfovibrio
vulgaris) 		PF00691
(OmpA) 		5 ILE A  36
GLY A  37
SER A  51
LEU A  54
GLU A 157
 None
 0.86A 3ai9X-3khnA:
undetectable		 3ai9X-3khnA:
22.42
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.
3l0d GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE

(Bartonella
henselae) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 LEU A  96
ILE A  17
GLY A  14
LEU A 120
SER A 149
 None
 0.98A 3ai9X-3l0dA:
2.3		 3ai9X-3l0dA:
19.68
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.
3l6a EUKARYOTIC
TRANSLATION
INITIATION FACTOR 4
GAMMA 2

(Homo sapiens) 		PF02020
(W2)
PF02847
(MA3) 		5 LEU A  70
ILE A  75
GLY A  74
LEU A  66
SER A  65
 None
 1.13A 3ai9X-3l6aA:
undetectable		 3ai9X-3l6aA:
22.87
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.
3llx PREDICTED AMINO ACID
ALDOLASE OR RACEMASE

(Idiomarina
loihiensis) 		PF01168
(Ala_racemase_N)
PF14031
(D-ser_dehydrat) 		5 LEU A 202
ILE A 207
GLY A 206
LEU A 154
SER A 152
 None
 1.06A 3ai9X-3llxA:
undetectable		 3ai9X-3llxA:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n54 SPORE GERMINATION
PROTEIN B3

(Bacillus
subtilis) 		PF05504
(Spore_GerAC) 		5 LEU B 220
ILE B 208
GLY B 207
LEU B 228
SER B 229
 None
 1.09A 3ai9X-3n54B:
undetectable		 3ai9X-3n54B:
20.44
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.
3oyt 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE I

(Yersinia pestis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 LEU A 102
ILE A 153
GLY A 155
SER A 159
SER A 141
 None
 1.09A 3ai9X-3oytA:
undetectable		 3ai9X-3oytA:
21.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pfe SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE

(Legionella
pneumophila) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 ILE A 431
LEU A 189
SER A 133
GLU A 162
CYH A 188
 None
None
None
ZN  A 501 (-3.9A)
None
 1.12A 3ai9X-3pfeA:
undetectable		 3ai9X-3pfeA:
17.34
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.
3qc7 HEAD FIBER PROTEIN

(Bacillus virus
phi29) 		PF11133
(Phage_head_fibr) 		5 LEU A 273
ILE A 278
GLY A 277
LEU A 269
SER A 268
 None
 1.07A 3ai9X-3qc7A:
undetectable		 3ai9X-3qc7A:
20.29
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.
3qki GLUCOSE-6-PHOSPHATE
ISOMERASE

(Plasmodium
falciparum) 		PF00342
(PGI) 		5 LEU A 205
ILE A 154
GLY A 155
GLU A 238
LEU A 241
 None
 1.00A 3ai9X-3qkiA:
undetectable		 3ai9X-3qkiA:
17.12
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.
3qum PROSTATE-SPECIFIC
ANTIGEN

(Homo sapiens) 		PF00089
(Trypsin) 		5 LEU P  53
ILE P 212
GLY P 196
LEU P 105
SER P  88
 None
 1.05A 3ai9X-3qumP:
undetectable		 3ai9X-3qumP:
20.72
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.
3sop NEURONAL-SPECIFIC
SEPTIN-3

(Homo sapiens) 		PF00735
(Septin) 		5 LEU A 228
ILE A 233
GLY A 232
LEU A 185
SER A 184
 None
 1.12A 3ai9X-3sopA:
undetectable		 3ai9X-3sopA:
22.79
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.
3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE

(Acidithiobacillus
ferrooxidans) 		PF07992
(Pyr_redox_2) 		5 GLY A 266
LEU A 284
SER A 291
LEU A 276
CYH A 277
 None
 1.11A 3ai9X-3t2yA:
undetectable		 3ai9X-3t2yA:
19.44
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.
3thf PROTEIN SHROOM

(Drosophila
melanogaster) 		PF08687
(ASD2) 		5 LEU A1467
ILE A1464
GLY A1462
LEU A1471
SER A1472
 None
 1.07A 3ai9X-3thfA:
undetectable		 3ai9X-3thfA:
21.49
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.
3ux4 ACID-ACTIVATED UREA
CHANNEL

(Helicobacter
pylori) 		PF02293
(AmiS_UreI) 		5 LEU A 154
SER A 108
LEU A 109
SER A 105
GLU A 159
 None
 1.12A 3ai9X-3ux4A:
undetectable		 3ai9X-3ux4A:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vwa CYTOPLASMIC EXPORT
PROTEIN 1

(Saccharomyces
cerevisiae) 		no annotation 5 LEU A 283
ILE A 288
GLY A 286
LEU A 244
GLU A 147
 None
 1.13A 3ai9X-3vwaA:
undetectable		 3ai9X-3vwaA:
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.
3wry TM-1 PROTEIN

(Solanum
lycopersicum) 		PF06792
(UPF0261) 		5 LEU A 184
GLY A 175
LEU A  27
SER A  28
LEU A  24
 None
 1.09A 3ai9X-3wryA:
3.0		 3ai9X-3wryA:
19.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wvr PGM1

(Streptomyces
cirratus) 		no annotation 6 LEU A 306
ILE A 258
GLY A 313
LEU A 302
GLU A 255
CYH A 303
 None
 1.35A 3ai9X-3wvrA:
undetectable		 3ai9X-3wvrA:
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.
4a0h ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE

(Arabidopsis
thaliana) 		PF00202
(Aminotran_3)
PF13500
(AAA_26) 		5 ILE A 772
GLY A 771
LEU A 764
SER A 762
GLU A 769
 None
 1.13A 3ai9X-4a0hA:
undetectable		 3ai9X-4a0hA:
13.65
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.
4alz YOP PROTEINS
TRANSLOCATION
PROTEIN D

(Yersinia
enterocolitica) 		PF16693
(Yop-YscD_ppl) 		5 LEU A 202
ILE A 207
GLY A 206
LEU A 198
SER A 197
 None
 0.99A 3ai9X-4alzA:
undetectable		 3ai9X-4alzA:
20.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b56 ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 1

(Mus musculus) 		PF01033
(Somatomedin_B)
PF01223
(Endonuclease_NS)
PF01663
(Phosphodiest) 		5 LEU A 402
ILE A 531
GLY A 532
SER A 198
LEU A 199
 None
 1.07A 3ai9X-4b56A:
undetectable		 3ai9X-4b56A:
12.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 LEU B3179
ILE B3112
LEU B3187
GLU B3118
LEU B3119
 None
 0.93A 3ai9X-4bedB:
undetectable		 3ai9X-4bedB:
7.98
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.
4bv4 PROTEIN TOLL,
VARIABLE LYMPHOCYTE
RECEPTOR B CHIMERA

(Drosophila
melanogaster;
Eptatretus
burgeri) 		PF11921
(DUF3439)
PF13855
(LRR_8) 		5 ILE R 250
GLY R 249
SER R 277
LEU R 276
GLU R 297
 None
 1.02A 3ai9X-4bv4R:
undetectable		 3ai9X-4bv4R:
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.
4bxo FANCONI ANEMIA GROUP
M PROTEIN

(Homo sapiens) 		PF02732
(ERCC4) 		5 LEU A1925
ILE A1930
GLY A1929
LEU A1921
SER A1920
 None
 1.12A 3ai9X-4bxoA:
undetectable		 3ai9X-4bxoA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ekx 14L PROTEIN

(Tanapox virus) 		no annotation 5 LEU C 109
ILE C  59
GLY C  60
LEU C 126
SER C 127
 None
 1.11A 3ai9X-4ekxC:
undetectable		 3ai9X-4ekxC:
18.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4exr PUTATIVE LIPOPROTEIN

(Clostridioides
difficile) 		PF03413
(PepSY) 		5 LEU A  84
ILE A  81
GLY A  99
SER A 166
LEU A 167
 None
 1.03A 3ai9X-4exrA:
undetectable		 3ai9X-4exrA:
24.22
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.
4fd0 LEUCINE RICH
HYPOTHETICAL PROTEIN

(Bacteroides
caccae) 		PF07523
(Big_3)
PF13306
(LRR_5) 		5 LEU A 300
ILE A 277
GLY A 276
LEU A 323
GLU A 274
 None
 0.97A 3ai9X-4fd0A:
undetectable		 3ai9X-4fd0A:
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.
4fdw LEUCINE RICH
HYPOTHETICAL PROTEIN

(Bacteroides
ovatus) 		PF07523
(Big_3)
PF13306
(LRR_5) 		5 LEU A 300
ILE A 277
GLY A 276
LEU A 323
GLU A 274
 None
 0.94A 3ai9X-4fdwA:
undetectable		 3ai9X-4fdwA:
19.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fmw RNA
(GUANINE-9-)-METHYLT
RANSFERASE
DOMAIN-CONTAINING
PROTEIN 2

(Homo sapiens) 		PF01746
(tRNA_m1G_MT) 		5 LEU A 186
ILE A 205
GLY A 206
LEU A 232
LEU A 246
 SAH  A 301 (-4.1A)
SAH  A 301 (-4.5A)
SAH  A 301 (-3.3A)
SAH  A 301 (-3.8A)
SAH  A 301 (-4.1A)
 0.62A 3ai9X-4fmwA:
7.3		 3ai9X-4fmwA:
24.90
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.
4h0p ACETATE KINASE

(Cryptococcus
neoformans) 		PF00871
(Acetate_kinase) 		5 LEU A 221
ILE A 362
GLY A 361
SER A 226
LEU A 248
 None
 1.13A 3ai9X-4h0pA:
undetectable		 3ai9X-4h0pA:
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.
4imd N-ACETYLNEURAMINATE
LYASE

(Pasteurella
multocida) 		PF00701
(DHDPS) 		5 LEU A 241
ILE A 245
GLY A 244
LEU A 292
SER A 293
 None
 1.13A 3ai9X-4imdA:
undetectable		 3ai9X-4imdA:
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.
4jwg TRNA
(GUANINE(9)-N1)-METH
YLTRANSFERASE

(Schizosaccharomyces
pombe) 		PF01746
(tRNA_m1G_MT) 		5 LEU A 183
ILE A 202
GLY A 203
LEU A 229
LEU A 243
 None
ACY  A 302 ( 4.8A)
ACY  A 302 (-3.9A)
None
None
 0.72A 3ai9X-4jwgA:
7.5		 3ai9X-4jwgA:
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.
4jwh TRNA
(GUANINE(9)-N1)-METH
YLTRANSFERASE

(Schizosaccharomyces
pombe) 		PF01746
(tRNA_m1G_MT) 		5 LEU A 183
ILE A 202
GLY A 203
LEU A 229
LEU A 243
 SAH  A 401 (-4.2A)
SAH  A 401 (-4.3A)
SAH  A 401 (-3.1A)
SAH  A 401 (-3.9A)
SAH  A 401 (-4.6A)
 0.74A 3ai9X-4jwhA:
7.7		 3ai9X-4jwhA:
21.04
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.
4jz2 SUPEROXIDE DISMUTASE

(Clostridioides
difficile) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		5 LEU A 162
ILE A 190
GLY A 191
SER A 171
LEU A 170
 None
 1.00A 3ai9X-4jz2A:
undetectable		 3ai9X-4jz2A:
19.91
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.
4lxr PROTEIN TOLL

(Drosophila
melanogaster) 		PF00560
(LRR_1)
PF01462
(LRRNT)
PF13306
(LRR_5)
PF13855
(LRR_8) 		5 ILE A 250
GLY A 249
SER A 277
LEU A 276
GLU A 297
 None
 1.01A 3ai9X-4lxrA:
undetectable		 3ai9X-4lxrA:
13.70
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.
4mnm CHITINASE A

(Cycas revoluta) 		PF00704
(Glyco_hydro_18) 		5 LEU A 116
ILE A  74
GLY A  75
LEU A 155
LEU A  71
 None
None
SO4  A 404 ( 4.8A)
None
None
 1.04A 3ai9X-4mnmA:
undetectable		 3ai9X-4mnmA:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q2s PDC1 GE1 DOMAIN

(Schizosaccharomyces
pombe) 		no annotation 5 GLY A 949
SER A 971
LEU A 970
LEU A 942
CYH A 954
 None
 0.97A 3ai9X-4q2sA:
undetectable		 3ai9X-4q2sA:
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.
4tnm IMPORTIN SUBUNIT
ALPHA

(Arabidopsis
thaliana) 		PF00514
(Arm)
PF01749
(IBB)
PF16186
(Arm_3) 		5 LEU A  99
ILE A  84
GLY A  83
GLU A  94
LEU A  93
 None
 0.97A 3ai9X-4tnmA:
undetectable		 3ai9X-4tnmA:
17.51
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.
4wql 2''-AMINOGLYCOSIDE
NUCLEOTIDYLTRANSFERA
SE

(Klebsiella
pneumoniae) 		PF10706
(Aminoglyc_resit) 		5 LEU A  85
ILE A  80
GLY A  66
LEU A  47
GLU A  58
 None
 1.08A 3ai9X-4wqlA:
undetectable		 3ai9X-4wqlA:
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.
4y4r BIFUNCTIONAL
LYSINE-SPECIFIC
DEMETHYLASE AND
HISTIDYL-HYDROXYLASE
NO66

(Homo sapiens) 		PF08007
(Cupin_4) 		5 GLY A 320
SER A 421
LEU A 420
SER A 325
LEU A 312
 None
 0.95A 3ai9X-4y4rA:
undetectable		 3ai9X-4y4rA:
16.08
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.
5ap8 TSR3

(Sulfolobus
solfataricus) 		PF04034
(Ribo_biogen_C)
PF04068
(RLI) 		5 ILE A  59
GLY A  58
SER A  47
LEU A  46
GLU A  80
 None
 1.12A 3ai9X-5ap8A:
3.7		 3ai9X-5ap8A:
22.95
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.
5c05 PUTATIVE
GAMMA-TERPINENE
SYNTHASE

(Thymus vulgaris) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 ILE A 450
GLY A 486
SER A 419
LEU A 420
SER A 416
 ILE  A 450 ( 0.4A)
GLY  A 486 ( 0.0A)
SER  A 419 ( 0.0A)
LEU  A 420 ( 0.6A)
SER  A 416 ( 0.0A)
 1.00A 3ai9X-5c05A:
undetectable		 3ai9X-5c05A:
16.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e6s INTEGRIN ALPHA-L

(Homo sapiens) 		PF00092
(VWA)
PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 LEU A 454
ILE A 500
GLY A 456
LEU A 536
GLU A 484
 None
 1.13A 3ai9X-5e6sA:
3.8		 3ai9X-5e6sA:
13.99
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.
5ex6 CYTOCHROME P450

(Streptomyces
toyocaensis) 		no annotation 5 LEU C 209
ILE C 210
GLY C 211
LEU C 103
GLU C 216
 None
 1.13A 3ai9X-5ex6C:
undetectable		 3ai9X-5ex6C:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f7r LMO0178 PROTEIN

(Listeria
monocytogenes) 		no annotation 5 ILE E 148
GLY E 147
LEU E  95
SER E 111
LEU E  96
 None
 1.07A 3ai9X-5f7rE:
undetectable		 3ai9X-5f7rE:
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.
5fcy RED CAROTENOID
PROTEIN (RCP)

(Nostoc sp. PCC
7120) 		PF09150
(Carot_N) 		5 LEU A 131
ILE A 134
GLY A 133
LEU A 123
SER A 124
 None
 1.01A 3ai9X-5fcyA:
undetectable		 3ai9X-5fcyA:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gzt CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		5 LEU B1174
ILE B1135
GLY B1136
LEU B1221
LEU B1132
 None
 1.05A 3ai9X-5gztB:
undetectable		 3ai9X-5gztB:
10.62
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.
5gzu CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		5 LEU A 688
ILE A 649
GLY A 650
LEU A 735
LEU A 646
 None
 1.12A 3ai9X-5gzuA:
undetectable		 3ai9X-5gzuA:
12.50
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.
5gzu CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		5 LEU A1174
ILE A1135
GLY A1136
LEU A1221
LEU A1132
 None
 1.03A 3ai9X-5gzuA:
undetectable		 3ai9X-5gzuA:
12.50
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.
5n28 METHYL-COENZYME M
REDUCTASE, GAMMA
SUBUNIT

(Methanotorris
formicicus) 		PF02240
(MCR_gamma) 		5 ILE C  76
GLY C  78
SER C 137
GLU C 130
LEU C 133
 None
 1.11A 3ai9X-5n28C:
undetectable		 3ai9X-5n28C:
19.85
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.
5nfj MITOCHONDRIAL
RIBONUCLEASE P
PROTEIN 1

(Homo sapiens) 		no annotation 5 LEU A 290
ILE A 309
GLY A 310
LEU A 336
LEU A 351
 SAM  A 501 (-4.2A)
SAM  A 501 (-4.4A)
SAM  A 501 (-3.3A)
SAM  A 501 (-3.9A)
SAM  A 501 (-4.0A)
 0.72A 3ai9X-5nfjA:
7.4		 3ai9X-5nfjA:
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.
5ng6 CRISPR-ASSOCIATED
ENDONUCLEASE CPF1

(Francisella
tularensis) 		no annotation 5 ILE A 159
LEU A 142
SER A 145
GLU A 151
LEU A 152
 None
 1.06A 3ai9X-5ng6A:
undetectable		 3ai9X-5ng6A:
9.94
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.
5nlm INDOXYL
UDP-GLUCOSYLTRANSFER
ASE

(Persicaria
tinctoria) 		no annotation 5 LEU A 294
ILE A 425
GLY A 422
LEU A 286
SER A 287
 None
 0.93A 3ai9X-5nlmA:
undetectable		 3ai9X-5nlmA:
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.
5nux CHROMATE REDUCTASE

(Thermus
scotoductus) 		no annotation 5 LEU A 317
ILE A 297
GLY A 295
LEU A  19
LEU A 314
 None
None
FMN  A1001 (-3.7A)
None
None
 1.02A 3ai9X-5nuxA:
undetectable		 3ai9X-5nuxA:
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.
5o96 RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E

(Legionella
pneumophila) 		no annotation 5 ILE A 195
GLY A 196
SER A 218
LEU A 219
LEU A 224
 None
SAM  A 501 (-4.1A)
None
SAM  A 501 (-4.9A)
SAM  A 501 (-4.5A)
 1.00A 3ai9X-5o96A:
10.8		 3ai9X-5o96A:
19.53
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.
5uj1 DNA TOPOISOMERASE 1

(Mycobacterium
tuberculosis) 		no annotation 5 LEU A 526
ILE A 531
GLY A 530
LEU A 522
SER A 521
 None
 0.94A 3ai9X-5uj1A:
undetectable		 3ai9X-5uj1A:
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.
5w10 CGMP-SPECIFIC
PHOSPHODIESTERASE

(Leptospira
interrogans) 		PF01590
(GAF) 		5 LEU A  17
ILE A 157
SER A  16
GLU A  36
LEU A  40
 None
 1.03A 3ai9X-5w10A:
undetectable		 3ai9X-5w10A:
24.22
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.
5wbf METHYL-ACCEPTING
CHEMOTAXIS
TRANSDUCER (TLPC)

(Helicobacter
pylori) 		no annotation 5 LEU A 142
ILE A 139
GLY A 178
GLU A  71
LEU A 167
 None
 1.12A 3ai9X-5wbfA:
undetectable		 3ai9X-5wbfA:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y69 CHAIN A

(Listeria
monocytogenes) 		no annotation 5 LEU A  20
ILE A  26
GLY A  25
LEU A  50
SER A  51
 None
 1.01A 3ai9X-5y69A:
undetectable		 3ai9X-5y69A:
25.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zdh TYPE II SECRETION
SYSTEM PROTEIN D

(Escherichia
coli) 		no annotation 5 LEU A 400
ILE A 369
GLY A 366
SER A 398
LEU A 397
 None
 1.13A 3ai9X-5zdhA:
undetectable		 3ai9X-5zdhA:
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.
6bwl PAL

(Bacillus
thuringiensis) 		no annotation 5 LEU A 253
ILE A 250
GLY A 210
SER A 258
LEU A 204
 None
UDP  A 402 (-4.0A)
EDO  A 404 ( 4.8A)
None
None
 1.09A 3ai9X-6bwlA:
undetectable		 3ai9X-6bwlA:
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.
6exs PEPTIDE ABC
TRANSPORTER PERMEASE

(Staphylococcus
hominis) 		no annotation 5 LEU A 105
ILE A 108
GLY A 109
LEU A 101
GLU A  36
 None
None
None
OLC  A 512 ( 4.0A)
None
 1.04A 3ai9X-6exsA:
undetectable		 3ai9X-6exsA:
undetectable