SIMILAR PATTERNS OF AMINO ACIDS FOR 3AIA_B_SAMB206_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.
1efp PROTEIN (ELECTRON
TRANSFER
FLAVOPROTEIN)

(Paracoccus
denitrificans) 		PF00766
(ETF_alpha)
PF01012
(ETF) 		4 LEU A  14
GLY A  12
GLU A  46
CYH A  36
 None
 1.10A 3aiaA-1efpA:
undetectable
3aiaB-1efpA:
1.0		 3aiaA-1efpA:
22.18
3aiaB-1efpA:
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.
1f2p AMINOPEPTIDASE

(Streptomyces
griseus) 		PF04389
(Peptidase_M28) 		4 SER A 203
LEU A  86
GLY A 101
GLU A 131
 PHE  A 903 ( 3.9A)
None
None
PHE  A 903 (-2.8A)
 1.18A 3aiaA-1f2pA:
undetectable
3aiaB-1f2pA:
0.3		 3aiaA-1f2pA:
16.49
3aiaB-1f2pA:
16.49
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.
1fch PEROXISOMAL
TARGETING SIGNAL 1
RECEPTOR

(Homo sapiens) 		PF13374
(TPR_10)
PF13432
(TPR_16) 		4 SER A 375
LEU A 350
GLY A 339
GLU A 348
 None
 1.22A 3aiaA-1fchA:
undetectable
3aiaB-1fchA:
undetectable		 3aiaA-1fchA:
16.30
3aiaB-1fchA:
16.30
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.
1k4m NAMN
ADENYLYLTRANSFERASE

(Escherichia
coli) 		PF01467
(CTP_transf_like) 		4 LEU A 188
GLY A 191
GLU A 186
CYH A 194
 None
 1.19A 3aiaA-1k4mA:
1.4
3aiaB-1k4mA:
2.4		 3aiaA-1k4mA:
21.46
3aiaB-1k4mA:
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.
1mld MALATE DEHYDROGENASE

(Sus scrofa) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 SER A 237
GLY A 231
GLU A 250
CYH A 114
 None
 1.19A 3aiaA-1mldA:
2.1
3aiaB-1mldA:
1.9		 3aiaA-1mldA:
20.89
3aiaB-1mldA:
20.89
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.
1pl0 BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH

(Homo sapiens) 		PF01808
(AICARFT_IMPCHas)
PF02142
(MGS) 		4 SER A  34
LEU A 103
GLY A 127
CYH A 101
 XMP  A 901 (-2.6A)
None
XMP  A 901 (-3.4A)
XMP  A 901 (-3.5A)
 1.18A 3aiaA-1pl0A:
undetectable
3aiaB-1pl0A:
undetectable		 3aiaA-1pl0A:
15.89
3aiaB-1pl0A:
15.89
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.
1r1a HUMAN RHINOVIRUS 1A
COAT PROTEIN
(SUBUNIT VP1)
HUMAN RHINOVIRUS 1A
COAT PROTEIN
(SUBUNIT VP2)

(Rhinovirus A;
Rhinovirus A) 		PF00073
(Rhv)
PF00073
(Rhv) 		4 SER 2 195
LEU 2 122
GLY 2 120
GLU 1  38
 None
 0.90A 3aiaA-1r1a2:
undetectable
3aiaB-1r1a2:
undetectable		 3aiaA-1r1a2:
19.63
3aiaB-1r1a2:
19.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rzv GLYCOGEN SYNTHASE 1

(Agrobacterium
tumefaciens) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		4 SER A 460
LEU A  30
GLY A 466
GLU A 462
 None
 1.12A 3aiaA-1rzvA:
1.4
3aiaB-1rzvA:
3.1		 3aiaA-1rzvA:
17.90
3aiaB-1rzvA:
17.90
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.
1u6g TIP120 PROTEIN

(Homo sapiens) 		PF08623
(TIP120) 		4 SER C 163
LEU C 117
GLY C 115
CYH C 131
 None
 1.18A 3aiaA-1u6gC:
undetectable
3aiaB-1u6gC:
undetectable		 3aiaA-1u6gC:
11.40
3aiaB-1u6gC:
11.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u8v GAMMA-AMINOBUTYRATE
METABOLISM
DEHYDRATASE/ISOMERAS
E

(Clostridium
aminobutyricum) 		PF03241
(HpaB)
PF11794
(HpaB_N) 		4 SER A 348
LEU A 340
GLY A 298
CYH A 369
 None
 0.97A 3aiaA-1u8vA:
undetectable
3aiaB-1u8vA:
undetectable		 3aiaA-1u8vA:
18.82
3aiaB-1u8vA:
18.82
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.
1ulv GLUCODEXTRANASE

(Arthrobacter
globiformis) 		PF00723
(Glyco_hydro_15)
PF09136
(Glucodextran_B)
PF09137
(Glucodextran_N)
PF09985
(Glucodextran_C) 		4 SER A 649
LEU A 590
GLY A 588
GLU A 628
 None
 1.14A 3aiaA-1ulvA:
undetectable
3aiaB-1ulvA:
undetectable		 3aiaA-1ulvA:
12.16
3aiaB-1ulvA:
12.16
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.
1vhz ADP COMPOUNDS
HYDROLASE NUDE

(Escherichia
coli) 		PF00293
(NUDIX) 		4 SER A  78
LEU A 137
GLY A 101
GLU A  99
 None
 1.15A 3aiaA-1vhzA:
undetectable
3aiaB-1vhzA:
undetectable		 3aiaA-1vhzA:
19.47
3aiaB-1vhzA:
19.47
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.
2a2d N-ACETYLGALACTOSAMIN
E KINASE

(Homo sapiens) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg) 		4 SER A 367
GLY A 401
GLU A 338
CYH A 377
 None
ANP  A 461 ( 3.8A)
None
None
 0.99A 3aiaA-2a2dA:
undetectable
3aiaB-2a2dA:
undetectable		 3aiaA-2a2dA:
17.94
3aiaB-2a2dA:
17.94
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.
2aj4 GALACTOKINASE

(Saccharomyces
cerevisiae) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg) 		4 SER A 433
GLY A 467
GLU A 400
CYH A 443
 None
GLA  A 529 ( 4.2A)
None
None
 0.96A 3aiaA-2aj4A:
undetectable
3aiaB-2aj4A:
undetectable		 3aiaA-2aj4A:
17.34
3aiaB-2aj4A:
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.
2amh SEPTUM FORMATION
PROTEIN MAF
HOMOLOGUE, PUTATIVE

(Trypanosoma
brucei) 		PF02545
(Maf) 		4 SER A 167
LEU A 159
GLY A 162
CYH A 108
 None
 1.02A 3aiaA-2amhA:
undetectable
3aiaB-2amhA:
undetectable		 3aiaA-2amhA:
23.73
3aiaB-2amhA:
23.73
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.
2bex RIBONUCLEASE
INHIBITOR

(Homo sapiens) 		PF13516
(LRR_6) 		4 LEU A 205
GLY A 234
GLU A 149
CYH A 208
 None
 1.20A 3aiaA-2bexA:
undetectable
3aiaB-2bexA:
undetectable		 3aiaA-2bexA:
16.27
3aiaB-2bexA:
16.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bnh RIBONUCLEASE
INHIBITOR

(Sus scrofa) 		PF13516
(LRR_6) 		4 LEU A 201
GLY A 230
GLU A 145
CYH A 204
 None
 1.02A 3aiaA-2bnhA:
undetectable
3aiaB-2bnhA:
undetectable		 3aiaA-2bnhA:
19.90
3aiaB-2bnhA:
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.
2bws XAA-PRO
AMINOPEPTIDASE P

(Escherichia
coli) 		PF00557
(Peptidase_M24)
PF05195
(AMP_N) 		4 SER A 235
GLY A 205
GLU A 208
CYH A 202
 CSO  A 249 ( 4.7A)
None
CSO  A 249 ( 3.5A)
None
 0.93A 3aiaA-2bwsA:
undetectable
3aiaB-2bwsA:
undetectable		 3aiaA-2bwsA:
20.51
3aiaB-2bwsA:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cdu NADPH OXIDASE

(Lactobacillus
sanfranciscensis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 SER A 377
LEU A 388
GLY A 341
GLU A 356
 None
 0.98A 3aiaA-2cduA:
undetectable
3aiaB-2cduA:
2.6		 3aiaA-2cduA:
18.59
3aiaB-2cduA:
18.59
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.
2cev PROTEIN (ARGINASE)

([Bacillus]
caldovelox) 		PF00491
(Arginase) 		4 SER A 224
LEU A  95
GLY A  97
GLU A 268
 None
 1.22A 3aiaA-2cevA:
2.4
3aiaB-2cevA:
2.4		 3aiaA-2cevA:
22.97
3aiaB-2cevA:
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.
2du3 O-PHOSPHOSERYL-TRNA
SYNTHETASE

(Archaeoglobus
fulgidus) 		PF01409
(tRNA-synt_2d) 		4 SER A 233
LEU A  72
GLY A 190
CYH A 214
 SEP  A1001 (-2.3A)
None
None
SEP  A1001 ( 4.8A)
 1.17A 3aiaA-2du3A:
undetectable
3aiaB-2du3A:
undetectable		 3aiaA-2du3A:
18.70
3aiaB-2du3A:
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.
2fem CYTIDYLATE KINASE

(Escherichia
coli) 		PF02224
(Cytidylate_kin) 		4 SER A  73
LEU A  21
GLY A  19
GLU A  27
 None
 1.23A 3aiaA-2femA:
undetectable
3aiaB-2femA:
undetectable		 3aiaA-2femA:
22.57
3aiaB-2femA:
22.57
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.
2fex CONSERVED
HYPOTHETICAL PROTEIN

(Agrobacterium
fabrum) 		PF01965
(DJ-1_PfpI) 		4 SER A 146
LEU A 166
GLY A 170
GLU A 164
 None
 1.22A 3aiaA-2fexA:
undetectable
3aiaB-2fexA:
2.8		 3aiaA-2fexA:
22.27
3aiaB-2fexA:
22.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fk6 RIBONUCLEASE Z

(Bacillus
subtilis) 		PF12706
(Lactamase_B_2) 		4 LEU A  72
GLY A  74
GLU A  40
CYH A  38
 None
 1.21A 3aiaA-2fk6A:
undetectable
3aiaB-2fk6A:
undetectable		 3aiaA-2fk6A:
19.55
3aiaB-2fk6A:
19.55
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.
2jcs DEOXYNUCLEOSIDE
KINASE

(Drosophila
melanogaster) 		PF01712
(dNK) 		4 LEU A 183
GLY A  27
GLU A 188
CYH A 113
 None
 0.96A 3aiaA-2jcsA:
undetectable
3aiaB-2jcsA:
undetectable		 3aiaA-2jcsA:
21.94
3aiaB-2jcsA:
21.94
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.
2mzr PROTEIN HRB1

(Saccharomyces
cerevisiae) 		PF00076
(RRM_1) 		4 SER A 162
LEU A 177
GLY A 203
GLU A 206
 None
 1.13A 3aiaA-2mzrA:
undetectable
3aiaB-2mzrA:
undetectable		 3aiaA-2mzrA:
17.48
3aiaB-2mzrA:
17.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p6r AFUHEL308 HELICASE

(Archaeoglobus
fulgidus) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		4 SER A 288
LEU A 590
GLY A 588
CYH A 580
 None
 0.96A 3aiaA-2p6rA:
2.7
3aiaB-2p6rA:
2.7		 3aiaA-2p6rA:
15.67
3aiaB-2p6rA:
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.
2pla GLYCEROL-3-PHOSPHATE
DEHYDROGENASE 1-LIKE
PROTEIN

(Homo sapiens) 		PF01210
(NAD_Gly3P_dh_N)
PF07479
(NAD_Gly3P_dh_C) 		4 SER A 135
LEU A 149
GLY A 169
GLU A 200
 None
 1.22A 3aiaA-2plaA:
undetectable
3aiaB-2plaA:
undetectable		 3aiaA-2plaA:
21.11
3aiaB-2plaA:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q5e CARBOXY-TERMINAL
DOMAIN RNA
POLYMERASE II
POLYPEPTIDE A SMALL
PHOSPHATASE 2

(Homo sapiens) 		PF03031
(NIF) 		4 LEU A 150
GLY A 181
GLU A 155
CYH A 159
 None
 1.11A 3aiaA-2q5eA:
undetectable
3aiaB-2q5eA:
undetectable		 3aiaA-2q5eA:
21.21
3aiaB-2q5eA:
21.21
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.
2qez ETHANOLAMINE
AMMONIA-LYASE HEAVY
CHAIN

(Listeria
monocytogenes) 		PF06751
(EutB) 		4 SER A 247
GLY A 291
GLU A 287
CYH A 311
 None
 0.91A 3aiaA-2qezA:
undetectable
3aiaB-2qezA:
undetectable		 3aiaA-2qezA:
19.69
3aiaB-2qezA:
19.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qp2 UNKNOWN PROTEIN

(Photorhabdus
laumondii) 		PF01823
(MACPF) 		4 LEU A 203
GLY A  45
GLU A  42
CYH A  60
 None
 1.03A 3aiaA-2qp2A:
undetectable
3aiaB-2qp2A:
undetectable		 3aiaA-2qp2A:
19.08
3aiaB-2qp2A:
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.
2v9u MSPA

(Mycolicibacterium
smegmatis) 		PF09203
(MspA) 		4 SER A 132
LEU A 166
GLY A  60
GLU A  63
 SER  A 132 ( 0.0A)
LEU  A 166 ( 0.5A)
GLY  A  60 ( 0.0A)
GLU  A  63 ( 0.6A)
 0.96A 3aiaA-2v9uA:
undetectable
3aiaB-2v9uA:
undetectable		 3aiaA-2v9uA:
16.51
3aiaB-2v9uA:
16.51
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.
2vyc BIODEGRADATIVE
ARGININE
DECARBOXYLASE

(Escherichia
coli) 		PF01276
(OKR_DC_1)
PF03709
(OKR_DC_1_N)
PF03711
(OKR_DC_1_C) 		4 SER A  50
LEU A  57
GLY A  44
GLU A  52
 None
 1.21A 3aiaA-2vycA:
3.1
3aiaB-2vycA:
3.0		 3aiaA-2vycA:
12.72
3aiaB-2vycA:
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.
2wmo DEDICATOR OF
CYTOKINESIS PROTEIN
9

(Homo sapiens) 		PF06920
(DHR-2) 		4 LEU A 339
GLY A 341
GLU A 320
CYH A 386
 None
 1.19A 3aiaA-2wmoA:
undetectable
3aiaB-2wmoA:
undetectable		 3aiaA-2wmoA:
18.93
3aiaB-2wmoA:
18.93
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.
2wsb GALACTITOL
DEHYDROGENASE

(Rhodobacter
sphaeroides) 		PF13561
(adh_short_C2) 		4 SER A  92
LEU A  40
GLY A  20
CYH A  28
 NAD  A 500 (-3.1A)
None
NAD  A 500 ( 3.8A)
None
 1.21A 3aiaA-2wsbA:
undetectable
3aiaB-2wsbA:
1.5		 3aiaA-2wsbA:
21.84
3aiaB-2wsbA:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z65 TOLL-LIKE RECEPTOR
4, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Homo sapiens) 		PF11921
(DUF3439)
PF13306
(LRR_5)
PF13855
(LRR_8) 		4 SER A  71
LEU A 117
GLY A 120
GLU A  94
 None
 1.07A 3aiaA-2z65A:
undetectable
3aiaB-2z65A:
undetectable		 3aiaA-2z65A:
25.70
3aiaB-2z65A:
25.70
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.
3ab4 ASPARTOKINASE

(Corynebacterium
glutamicum) 		PF00696
(AA_kinase)
PF01842
(ACT)
PF13840
(ACT_7) 		4 LEU A 125
GLY A 128
GLU A 123
CYH A 131
 None
 1.01A 3aiaA-3ab4A:
undetectable
3aiaB-3ab4A:
undetectable		 3aiaA-3ab4A:
19.81
3aiaB-3ab4A:
19.81
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) 		4 LEU X 136
GLY X 156
GLU X 183
CYH X 189
 SAM  X 501 (-4.3A)
SAM  X 501 (-3.2A)
SAM  X 501 (-4.7A)
SAM  X 501 (-3.3A)
 0.63A 3aiaA-3ai9X:
37.9
3aiaB-3ai9X:
36.9		 3aiaA-3ai9X:
98.58
3aiaB-3ai9X:
98.58
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.
3bpt 3-HYDROXYISOBUTYRYL-
COA HYDROLASE

(Homo sapiens) 		PF16113
(ECH_2) 		4 LEU A 284
GLY A 288
GLU A 282
CYH A 271
 None
 1.15A 3aiaA-3bptA:
undetectable
3aiaB-3bptA:
undetectable		 3aiaA-3bptA:
18.00
3aiaB-3bptA:
18.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c3j PUTATIVE
TAGATOSE-6-PHOSPHATE
KETOSE/ALDOSE
ISOMERASE

(Escherichia
coli) 		PF01380
(SIS) 		4 SER A 116
LEU A  91
GLY A  60
GLU A 118
 None
 1.02A 3aiaA-3c3jA:
undetectable
3aiaB-3c3jA:
undetectable		 3aiaA-3c3jA:
20.10
3aiaB-3c3jA:
20.10
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.
3dh4 SODIUM/GLUCOSE
COTRANSPORTER

(Vibrio
parahaemolyticus) 		PF00474
(SSF) 		4 SER A  66
LEU A 147
GLY A 150
GLU A  68
 None
 1.20A 3aiaA-3dh4A:
undetectable
3aiaB-3dh4A:
undetectable		 3aiaA-3dh4A:
19.87
3aiaB-3dh4A:
19.87
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.
3fhu PREPILIN

(Salmonella
enterica) 		PF08805
(PilS) 		4 SER A  93
LEU A  42
GLY A  76
GLU A  35
 None
 0.92A 3aiaA-3fhuA:
undetectable
3aiaB-3fhuA:
undetectable		 3aiaA-3fhuA:
18.22
3aiaB-3fhuA:
18.22
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.
3fxi TOLL-LIKE RECEPTOR 4

(Homo sapiens) 		PF13516
(LRR_6)
PF13855
(LRR_8) 		4 SER A  71
LEU A 117
GLY A 120
GLU A  94
 None
 0.98A 3aiaA-3fxiA:
undetectable
3aiaB-3fxiA:
undetectable		 3aiaA-3fxiA:
17.43
3aiaB-3fxiA:
17.43
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.
3gre SERINE/THREONINE-PRO
TEIN KINASE VPS15

(Saccharomyces
cerevisiae) 		no annotation 4 SER A1447
LEU A1075
GLY A1451
GLU A1079
 None
 1.07A 3aiaA-3greA:
undetectable
3aiaB-3greA:
undetectable		 3aiaA-3greA:
19.63
3aiaB-3greA:
19.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hf8 TRYPTOPHAN
5-HYDROXYLASE 1

(Homo sapiens) 		PF00351
(Biopterin_H) 		4 SER A 376
LEU A 280
GLY A 331
CYH A 190
 None
 1.08A 3aiaA-3hf8A:
undetectable
3aiaB-3hf8A:
undetectable		 3aiaA-3hf8A:
20.66
3aiaB-3hf8A:
20.66
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.
3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA

(Moorella
thermoacetica) 		PF03063
(Prismane) 		4 SER A 549
LEU A 280
GLY A 282
GLU A 321
 None
 1.16A 3aiaA-3i04A:
1.4
3aiaB-3i04A:
2.9		 3aiaA-3i04A:
15.19
3aiaB-3i04A:
15.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iha SALT-TOLERANT
GLUTAMINASE

(Micrococcus
luteus) 		PF04960
(Glutaminase) 		4 LEU A 145
GLY A 147
GLU A 222
CYH A 210
 None
 1.15A 3aiaA-3ihaA:
undetectable
3aiaB-3ihaA:
undetectable		 3aiaA-3ihaA:
17.72
3aiaB-3ihaA:
17.72
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.
3j7y ICT1

(Homo sapiens) 		PF00861
(Ribosomal_L18p) 		4 SER p  79
LEU p 135
GLU p 100
CYH p 150
 None
 1.20A 3aiaA-3j7yp:
undetectable
3aiaB-3j7yp:
undetectable		 3aiaA-3j7yp:
20.61
3aiaB-3j7yp:
20.61
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.
3l15 TRANSCRIPTIONAL
ENHANCER FACTOR
TEF-4

(Homo sapiens) 		no annotation 4 SER A 344
GLY A 284
GLU A 356
CYH A 348
 None
 1.06A 3aiaA-3l15A:
undetectable
3aiaB-3l15A:
undetectable		 3aiaA-3l15A:
22.80
3aiaB-3l15A:
22.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mnf PAC2 FAMILY PROTEIN

(Streptomyces
avermitilis) 		PF09754
(PAC2) 		4 LEU A 171
GLY A 169
GLU A  99
CYH A 108
 None
CL  A 301 ( 4.1A)
None
None
 1.18A 3aiaA-3mnfA:
undetectable
3aiaB-3mnfA:
undetectable		 3aiaA-3mnfA:
18.53
3aiaB-3mnfA:
18.53
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.
3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA

(Escherichia
coli) 		PF00873
(ACR_tran) 		4 SER A 822
LEU A 577
GLY A 720
GLU A 716
 None
 1.23A 3aiaA-3ne5A:
undetectable
3aiaB-3ne5A:
undetectable		 3aiaA-3ne5A:
11.72
3aiaB-3ne5A:
11.72
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.
3ogk CORONATINE-INSENSITI
VE PROTEIN 1

(Arabidopsis
thaliana) 		no annotation 4 SER B 224
LEU B 277
GLY B 250
GLU B 247
 None
 1.08A 3aiaA-3ogkB:
undetectable
3aiaB-3ogkB:
undetectable		 3aiaA-3ogkB:
15.41
3aiaB-3ogkB:
15.41
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.
3pgl CARBOXY-TERMINAL
DOMAIN RNA
POLYMERASE II
POLYPEPTIDE A SMALL
PHOSPHATASE 1

(Homo sapiens) 		PF03031
(NIF) 		4 LEU A 139
GLY A 170
GLU A 144
CYH A 148
 None
 1.06A 3aiaA-3pglA:
undetectable
3aiaB-3pglA:
undetectable		 3aiaA-3pglA:
21.88
3aiaB-3pglA:
21.88
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.
3pm6 PUTATIVE
FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Coccidioides
immitis) 		PF01116
(F_bP_aldolase) 		4 SER A 118
LEU A 167
GLY A 165
GLU A 146
 None
 1.20A 3aiaA-3pm6A:
1.9
3aiaB-3pm6A:
undetectable		 3aiaA-3pm6A:
20.90
3aiaB-3pm6A:
20.90
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.
3pvl MYOSIN VIIA ISOFORM
1

(Mus musculus) 		PF00784
(MyTH4) 		4 SER A1311
GLY A1315
GLU A1349
CYH A1284
 None
 1.11A 3aiaA-3pvlA:
undetectable
3aiaB-3pvlA:
undetectable		 3aiaA-3pvlA:
16.69
3aiaB-3pvlA:
16.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pxn KINESIN-LIKE PROTEIN
NOD

(Drosophila
melanogaster) 		PF00225
(Kinesin) 		4 SER A   7
LEU A  75
GLY A  78
CYH A  81
 None
 1.12A 3aiaA-3pxnA:
undetectable
3aiaB-3pxnA:
undetectable		 3aiaA-3pxnA:
21.11
3aiaB-3pxnA:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q19 GLUTATHIONE
S-TRANSFERASE
OMEGA-2

(Homo sapiens) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		4 SER A 140
LEU A 185
GLY A 189
CYH A 193
 None
 1.18A 3aiaA-3q19A:
undetectable
3aiaB-3q19A:
undetectable		 3aiaA-3q19A:
21.62
3aiaB-3q19A:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qgv ALPHA AMYLASE

(Pyrococcus
woesei) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		4 SER A   4
LEU A 336
GLY A 338
GLU A 334
 None
None
BCD  A 601 ( 3.7A)
None
 1.04A 3aiaA-3qgvA:
undetectable
3aiaB-3qgvA:
undetectable		 3aiaA-3qgvA:
19.23
3aiaB-3qgvA:
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.
3ss6 ACETYL-COA
ACETYLTRANSFERASE

(Bacillus
anthracis) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		4 SER A 359
LEU A 386
GLY A 353
GLU A 313
 None
None
CSO  A  88 ( 4.4A)
None
 1.14A 3aiaA-3ss6A:
undetectable
3aiaB-3ss6A:
undetectable		 3aiaA-3ss6A:
19.24
3aiaB-3ss6A:
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.
3t4x OXIDOREDUCTASE,
SHORT CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY

(Bacillus
anthracis) 		PF00106
(adh_short) 		4 LEU A  67
GLY A 117
GLU A 111
CYH A  73
 None
 1.21A 3aiaA-3t4xA:
1.6
3aiaB-3t4xA:
1.6		 3aiaA-3t4xA:
23.36
3aiaB-3t4xA:
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.
3v5r PROTEIN GAL3

(Saccharomyces
cerevisiae) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg) 		4 SER A 425
GLY A 459
GLU A 392
CYH A 435
 None
 0.95A 3aiaA-3v5rA:
undetectable
3aiaB-3v5rA:
undetectable		 3aiaA-3v5rA:
17.79
3aiaB-3v5rA:
17.79
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.
3win HA3

(Clostridium
botulinum) 		PF03505
(Clenterotox) 		4 SER D  78
LEU D 134
GLY D  28
GLU D 140
 None
 1.21A 3aiaA-3winD:
undetectable
3aiaB-3winD:
undetectable		 3aiaA-3winD:
23.11
3aiaB-3winD:
23.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wst PROTEIN ARGININE
N-METHYLTRANSFERASE
7

(Caenorhabditis
elegans) 		PF13649
(Methyltransf_25) 		4 SER A 594
LEU A 534
GLY A 591
GLU A 602
 None
 1.17A 3aiaA-3wstA:
undetectable
3aiaB-3wstA:
undetectable		 3aiaA-3wstA:
16.12
3aiaB-3wstA:
16.12
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.
4a8e PROBABLE TYROSINE
RECOMBINASE
XERC-LIKE

(Pyrococcus
abyssi) 		PF00589
(Phage_integrase)
PF02899
(Phage_int_SAM_1) 		4 SER A 172
LEU A 128
GLY A 131
GLU A 176
 None
 1.15A 3aiaA-4a8eA:
undetectable
3aiaB-4a8eA:
undetectable		 3aiaA-4a8eA:
24.09
3aiaB-4a8eA:
24.09
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.
4b92 DIHYDROPYRIMIDINASE-
RELATED PROTEIN 5

(Homo sapiens) 		PF01979
(Amidohydro_1) 		4 SER A   7
LEU A  11
GLY A  46
GLU A  31
 None
 1.09A 3aiaA-4b92A:
undetectable
3aiaB-4b92A:
undetectable		 3aiaA-4b92A:
17.77
3aiaB-4b92A:
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.
4cjm FIBROBLAST GROWTH
FACTOR 18

(Homo sapiens) 		PF00167
(FGF) 		4 SER A 124
LEU A 116
GLY A 118
GLU A 126
 SO4  A1181 (-2.8A)
None
None
None
 0.98A 3aiaA-4cjmA:
undetectable
3aiaB-4cjmA:
undetectable		 3aiaA-4cjmA:
22.40
3aiaB-4cjmA:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f9o HEXOKINASE-1

(Homo sapiens) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		4 LEU A 574
GLY A 569
GLU A 572
CYH A 628
 None
 1.08A 3aiaA-4f9oA:
undetectable
3aiaB-4f9oA:
undetectable		 3aiaA-4f9oA:
12.35
3aiaB-4f9oA:
12.35
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.
4fry PUTATIVE
SIGNAL-TRANSDUCTION
PROTEIN WITH CBS
DOMAINS

(Burkholderia
ambifaria) 		PF00571
(CBS) 		4 SER A  90
LEU A 108
GLU A  88
CYH A  96
 None
AMP  A 202 ( 4.9A)
None
None
 1.22A 3aiaA-4fryA:
undetectable
3aiaB-4fryA:
undetectable		 3aiaA-4fryA:
23.44
3aiaB-4fryA:
23.44
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.
4h2h MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Salipiger
bermudensis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 SER A 267
LEU A 321
GLY A 296
CYH A 304
 None
 1.04A 3aiaA-4h2hA:
undetectable
3aiaB-4h2hA:
undetectable		 3aiaA-4h2hA:
19.51
3aiaB-4h2hA:
19.51
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.
4i93 PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE
AT5G41260

(Arabidopsis
thaliana) 		PF07714
(Pkinase_Tyr) 		4 SER A 233
LEU A 224
GLY A 227
GLU A 222
 None
 1.18A 3aiaA-4i93A:
undetectable
3aiaB-4i93A:
undetectable		 3aiaA-4i93A:
20.79
3aiaB-4i93A:
20.79
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.
4jbu VIRULENCE-ASSOCIATED
V ANTIGEN

(Yersinia pestis) 		PF04792
(LcrV) 		4 SER A 210
LEU A 198
GLY A 200
GLU A 212
 None
 1.08A 3aiaA-4jbuA:
undetectable
3aiaB-4jbuA:
undetectable		 3aiaA-4jbuA:
20.89
3aiaB-4jbuA:
20.89
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.
4mx3 CAMP-DEPENDENT
PROTEIN KINASE TYPE
I-ALPHA REGULATORY
SUBUNIT

(Bos taurus) 		PF00027
(cNMP_binding) 		4 SER A 191
LEU A 221
GLY A 196
GLU A 179
 None
 1.14A 3aiaA-4mx3A:
undetectable
3aiaB-4mx3A:
undetectable		 3aiaA-4mx3A:
20.00
3aiaB-4mx3A:
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.
4nul FLAVODOXIN

(Clostridium
beijerinckii) 		PF00258
(Flavodoxin_1) 		4 SER A  64
GLY A   8
GLU A  65
CYH A  53
 None
FMN  A 139 ( 3.5A)
None
None
 1.13A 3aiaA-4nulA:
undetectable
3aiaB-4nulA:
2.5		 3aiaA-4nulA:
20.75
3aiaB-4nulA:
20.75
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.
4pj1 60 KDA HEAT SHOCK
PROTEIN,
MITOCHONDRIAL

(Homo sapiens) 		PF00118
(Cpn60_TCP1) 		4 SER A 232
LEU A 308
GLY A 302
GLU A 311
 None
 1.02A 3aiaA-4pj1A:
undetectable
3aiaB-4pj1A:
undetectable		 3aiaA-4pj1A:
16.55
3aiaB-4pj1A:
16.55
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.
4r31 URIDINE
PHOSPHORYLASE

(Actinobacillus
succinogenes) 		PF01048
(PNP_UDP_1) 		4 SER A  71
GLY A  24
GLU A  47
CYH A  63
 None
 1.22A 3aiaA-4r31A:
undetectable
3aiaB-4r31A:
undetectable		 3aiaA-4r31A:
19.29
3aiaB-4r31A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wa8 FLAP ENDONUCLEASE 1

(Methanopyrus
kandleri) 		PF00752
(XPG_N)
PF00867
(XPG_I) 		4 SER A 220
LEU A 258
GLY A 256
GLU A 222
 None
 1.06A 3aiaA-4wa8A:
undetectable
3aiaB-4wa8A:
undetectable		 3aiaA-4wa8A:
22.54
3aiaB-4wa8A:
22.54
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.
4wcz ENOYL-COA
HYDRATASE/ISOMERASE

(Novosphingobium
aromaticivorans) 		PF00378
(ECH_1) 		4 SER A 184
LEU A 192
GLY A 190
GLU A 185
 None
 0.95A 3aiaA-4wczA:
undetectable
3aiaB-4wczA:
undetectable		 3aiaA-4wczA:
21.51
3aiaB-4wczA:
21.51
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.
4wd1 ACETOACETATE-COA
LIGASE

(Streptomyces
lividans) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		4 SER A 428
LEU A 294
GLY A 298
GLU A 292
 None
EDO  A 709 (-4.7A)
None
None
 1.08A 3aiaA-4wd1A:
undetectable
3aiaB-4wd1A:
undetectable		 3aiaA-4wd1A:
15.35
3aiaB-4wd1A:
15.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xfj ARGININOSUCCINATE
SYNTHASE

(Mycolicibacterium
thermoresistibile) 		PF00764
(Arginosuc_synth) 		4 SER A 268
LEU A 263
GLY A 122
GLU A 260
 None
None
None
ARG  A 503 (-3.1A)
 0.89A 3aiaA-4xfjA:
undetectable
3aiaB-4xfjA:
undetectable		 3aiaA-4xfjA:
20.36
3aiaB-4xfjA:
20.36
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.
4yu9 GLUTAMINYL-PEPTIDE
CYCLOTRANSFERASE

(Homo sapiens) 		PF04389
(Peptidase_M28) 		4 SER A  50
LEU A 284
GLY A 282
GLU A 277
 None
 1.14A 3aiaA-4yu9A:
undetectable
3aiaB-4yu9A:
1.8		 3aiaA-4yu9A:
21.86
3aiaB-4yu9A:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5awf PROBABLE
ATP-DEPENDENT
TRANSPORTER SUFC

(Escherichia
coli) 		PF00005
(ABC_tran) 		4 SER C  10
LEU C  68
GLY C  58
GLU C  54
 None
 1.15A 3aiaA-5awfC:
undetectable
3aiaB-5awfC:
undetectable		 3aiaA-5awfC:
21.96
3aiaB-5awfC:
21.96
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.
5caa NUCLEOSIDE
DIPHOSPHATE KINASE

(Leishmania
major) 		PF00334
(NDK) 		4 LEU A  90
GLY A 105
GLU A  22
CYH A 116
 None
 1.23A 3aiaA-5caaA:
undetectable
3aiaB-5caaA:
undetectable		 3aiaA-5caaA:
25.58
3aiaB-5caaA:
25.58
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.
5gs0 TOLL-LIKE RECEPTOR 3

(Homo sapiens) 		PF13516
(LRR_6)
PF13855
(LRR_8) 		4 SER A 205
LEU A 199
GLY A 225
GLU A 203
 None
 1.13A 3aiaA-5gs0A:
undetectable
3aiaB-5gs0A:
undetectable		 3aiaA-5gs0A:
15.62
3aiaB-5gs0A:
15.62
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.
5gzy (R)-2-HALOACID
DEHALOGENASE

(Pseudomonas
putida) 		PF10778
(DehI) 		4 LEU A 223
GLY A 221
GLU A 101
CYH A 226
 None
 1.13A 3aiaA-5gzyA:
undetectable
3aiaB-5gzyA:
undetectable		 3aiaA-5gzyA:
18.71
3aiaB-5gzyA:
18.71
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.
5kkb MANNOSYL-OLIGOSACCHA
RIDE
1,2-ALPHA-MANNOSIDAS
E IA

(Mus musculus) 		PF01532
(Glyco_hydro_47) 		4 SER A 606
LEU A 219
GLY A 240
GLU A 221
 None
 1.12A 3aiaA-5kkbA:
undetectable
3aiaB-5kkbA:
undetectable		 3aiaA-5kkbA:
17.14
3aiaB-5kkbA:
17.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5krw FLAGELLAR PROTEIN
FLIT,FLAGELLAR
HOOK-ASSOCIATED
PROTEIN 2 FUSION

(Salmonella
enterica) 		PF05400
(FliT) 		4 SER A 454
LEU A  77
GLY A  80
GLU A  75
 None
 1.19A 3aiaA-5krwA:
undetectable
3aiaB-5krwA:
undetectable		 3aiaA-5krwA:
22.60
3aiaB-5krwA:
22.60
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.
5l01 TRYPTOPHAN
5-HYDROXYLASE 1

(Homo sapiens) 		PF00351
(Biopterin_H) 		4 SER A 376
LEU A 280
GLY A 331
CYH A 190
 None
 1.12A 3aiaA-5l01A:
undetectable
3aiaB-5l01A:
undetectable		 3aiaA-5l01A:
18.93
3aiaB-5l01A:
18.93
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.
5lhv URIDINE
PHOSPHORYLASE

(Vibrio cholerae) 		PF01048
(PNP_UDP_1) 		4 SER A  72
GLY A  25
GLU A  48
CYH A  64
 NA  A 307 (-2.9A)
SO4  A 301 (-3.3A)
NA  A 307 (-3.7A)
None
 1.22A 3aiaA-5lhvA:
1.8
3aiaB-5lhvA:
undetectable		 3aiaA-5lhvA:
21.26
3aiaB-5lhvA:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ly3 ACTIN/ACTIN FAMILY
PROTEIN

(Pyrobaculum
calidifontis) 		PF00022
(Actin) 		4 SER A 352
LEU A 166
GLY A 405
GLU A 181
 None
None
None
ADP  A 501 ( 4.8A)
 1.04A 3aiaA-5ly3A:
undetectable
3aiaB-5ly3A:
undetectable		 3aiaA-5ly3A:
20.92
3aiaB-5ly3A:
20.92
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.
5msw THIOESTER REDUCTASE
DOMAIN-CONTAINING
PROTEIN

(Segniliparus
rugosus) 		PF00501
(AMP-binding)
PF00550
(PP-binding) 		4 SER A 433
LEU A 504
GLY A 506
GLU A 435
 None
None
None
AMP  A1201 (-3.9A)
 1.15A 3aiaA-5mswA:
undetectable
3aiaB-5mswA:
undetectable		 3aiaA-5mswA:
10.32
3aiaB-5mswA:
10.32
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.
5ndx GLYCOSYL HYDROLASE

(Rhizobium
leguminosarum) 		no annotation 4 SER A 595
LEU A 546
GLY A 548
GLU A 480
 None
 0.97A 3aiaA-5ndxA:
undetectable
3aiaB-5ndxA:
undetectable		 3aiaA-5ndxA:
undetectable
3aiaB-5ndxA:
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.
5nh1 GASDERMIN-D

(Homo sapiens) 		PF04598
(Gasdermin) 		4 SER A 382
LEU A 442
GLY A 446
GLU A 444
 None
 1.18A 3aiaA-5nh1A:
undetectable
3aiaB-5nh1A:
undetectable		 3aiaA-5nh1A:
23.01
3aiaB-5nh1A:
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.
5nv3 RIBULOSE
BISPHOSPHATE
CARBOXYLASE SMALL
CHAIN 1

(Rhodobacter
sphaeroides) 		PF00101
(RuBisCO_small) 		4 LEU I  35
GLY I  52
GLU I  49
CYH I  71
 None
 0.90A 3aiaA-5nv3I:
undetectable
3aiaB-5nv3I:
undetectable		 3aiaA-5nv3I:
22.33
3aiaB-5nv3I:
22.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tur SERINE/THREONINE-PRO
TEIN KINASE PIM-1

(Homo sapiens) 		no annotation 4 SER A  97
LEU A 184
GLY A 102
CYH A 158
 None
 1.16A 3aiaA-5turA:
undetectable
3aiaB-5turA:
undetectable		 3aiaA-5turA:
21.29
3aiaB-5turA:
21.29
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.
5va3 POTASSIUM
VOLTAGE-GATED
CHANNEL SUBFAMILY H
MEMBER 2

(Homo sapiens) 		PF00027
(cNMP_binding)
PF00520
(Ion_trans)
PF13426
(PAS_9) 		4 SER A 636
LEU A 586
GLY A 584
GLU A 575
 None
 1.13A 3aiaA-5va3A:
undetectable
3aiaB-5va3A:
undetectable		 3aiaA-5va3A:
14.06
3aiaB-5va3A:
14.06
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.
5xuy AUTOPHAGY-RELATED
PROTEIN 13

(Homo sapiens) 		no annotation 4 SER A  85
LEU A 161
GLY A 163
GLU A  83
 None
 1.11A 3aiaA-5xuyA:
1.8
3aiaB-5xuyA:
undetectable		 3aiaA-5xuyA:
undetectable
3aiaB-5xuyA:
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.
6b3b APRA
METHYLTRANSFERASE 1

(Moorea
bouillonii) 		no annotation 4 SER A 162
LEU A 101
GLY A 103
GLU A 166
 None
 1.10A 3aiaA-6b3bA:
1.8
3aiaB-6b3bA:
undetectable		 3aiaA-6b3bA:
16.54
3aiaB-6b3bA:
16.54
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.
6byk 14-3-3 PROTEIN
BETA/ALPHA

(Homo sapiens) 		no annotation 4 SER A 132
GLY A 125
GLU A 133
CYH A  96
 None
 1.22A 3aiaA-6bykA:
undetectable
3aiaB-6bykA:
undetectable		 3aiaA-6bykA:
undetectable
3aiaB-6bykA:
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.
6d2v TERB OXIDOREDUCTASE

(Streptomyces) 		no annotation 4 SER A 115
GLY A 148
GLU A 153
CYH A  98
 None
 1.16A 3aiaA-6d2vA:
undetectable
3aiaB-6d2vA:
undetectable		 3aiaA-6d2vA:
undetectable
3aiaB-6d2vA:
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.
6fj7 -

(-) 		no annotation 4 SER A  60
LEU A  45
GLY A  26
GLU A  56
 None
 1.23A 3aiaA-6fj7A:
undetectable
3aiaB-6fj7A:
undetectable		 3aiaA-6fj7A:
undetectable
3aiaB-6fj7A:
undetectable