SIMILAR PATTERNS OF AMINO ACIDS FOR 3QJ7_A_SPMA264_1

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.
1c0n PROTEIN (CSDB
PROTEIN)

(Escherichia
coli) 		PF00266
(Aminotran_5) 		4 ALA A 190
LEU A 168
ASP A 218
ASP A 216
 None
 0.76A 3qj7A-1c0nA:
0.0
3qj7D-1c0nA:
0.0		 3qj7A-1c0nA:
21.74
3qj7D-1c0nA:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1c30 CARBAMOYL PHOSPHATE
SYNTHETASE: LARGE
SUBUNIT

(Escherichia
coli) 		PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3) 		4 ALA A 445
LEU A 421
ASP A 416
SER A 414
 None
 0.84A 3qj7A-1c30A:
0.0
3qj7D-1c30A:
0.0		 3qj7A-1c30A:
13.71
3qj7D-1c30A:
13.71
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.
1cyd CARBONYL REDUCTASE

(Mus musculus) 		PF13561
(adh_short_C2) 		4 GLN A 113
LEU A  61
ASP A  63
ASP A  65
 None
NDP  A 245 (-3.8A)
None
None
 1.01A 3qj7A-1cydA:
0.0
3qj7D-1cydA:
0.0		 3qj7A-1cydA:
22.33
3qj7D-1cydA:
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.
1dab P.69 PERTACTIN

(Bordetella
pertussis) 		PF03212
(Pertactin) 		4 ALA A 222
LEU A 219
ASP A 197
ASP A 171
 None
 0.91A 3qj7A-1dabA:
0.0
3qj7D-1dabA:
undetectable		 3qj7A-1dabA:
19.29
3qj7D-1dabA:
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.
1ii0 ARSENICAL
PUMP-DRIVING ATPASE

(Escherichia
coli) 		PF02374
(ArsA_ATPase) 		4 ALA A 517
GLN A 486
LEU A 455
ASP A 459
 None
 1.02A 3qj7A-1ii0A:
0.0
3qj7D-1ii0A:
0.0		 3qj7A-1ii0A:
19.05
3qj7D-1ii0A:
19.05
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.
1iv8 MALTOOLIGOSYL
TREHALOSE SYNTHASE

(Sulfolobus
acidocaldarius) 		PF00128
(Alpha-amylase)
PF09196
(DUF1953) 		4 ALA A  75
LEU A  34
ASP A 223
ASP A 221
 None
None
None
MLY  A 250 ( 4.3A)
 0.98A 3qj7A-1iv8A:
0.0
3qj7D-1iv8A:
0.0		 3qj7A-1iv8A:
16.76
3qj7D-1iv8A:
16.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1iwp GLYCEROL DEHYDRATASE
ALPHA SUBUNIT

(Klebsiella
pneumoniae) 		PF02286
(Dehydratase_LU) 		4 ALA A 247
ASP A 238
TYR A 259
SER A 242
 None
 0.98A 3qj7A-1iwpA:
0.0
3qj7D-1iwpA:
0.0		 3qj7A-1iwpA:
17.90
3qj7D-1iwpA:
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.
1jw0 CEPHALOSPORIN
ACYLASE ALPHA CHAIN

(Brevundimonas
diminuta) 		PF01804
(Penicil_amidase) 		4 ALA A  89
GLN A  90
ASP A 136
SER A 133
 None
 0.89A 3qj7A-1jw0A:
undetectable
3qj7D-1jw0A:
undetectable		 3qj7A-1jw0A:
20.66
3qj7D-1jw0A:
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.
1k72 ENDOGLUCANASE 9G

([Clostridium]
cellulolyticum) 		PF00759
(Glyco_hydro_9)
PF00942
(CBM_3) 		4 ASP A 212
ASP A 259
TYR A 263
SER A 209
 CA  A 779 (-2.3A)
CA  A 779 (-4.9A)
None
CA  A 779 (-2.5A)
 1.01A 3qj7A-1k72A:
undetectable
3qj7D-1k72A:
undetectable		 3qj7A-1k72A:
16.23
3qj7D-1k72A:
16.23
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.
1keh PRECURSOR OF
CEPHALOSPORIN
ACYLASE

(Brevundimonas
diminuta) 		PF01804
(Penicil_amidase) 		4 ALA A  89
GLN A  90
ASP A 136
SER A 133
 None
 0.91A 3qj7A-1kehA:
undetectable
3qj7D-1kehA:
0.0		 3qj7A-1kehA:
16.09
3qj7D-1kehA:
16.09
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.
1kfw CHITINASE B

(Arthrobacter
sp. TAD20) 		PF00704
(Glyco_hydro_18) 		4 ALA A  36
GLN A 116
LEU A 117
SER A 100
 None
 1.01A 3qj7A-1kfwA:
undetectable
3qj7D-1kfwA:
undetectable		 3qj7A-1kfwA:
19.53
3qj7D-1kfwA:
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.
1lsh LIPOVITELLIN (LV-1N,
LV-1C)
LIPOVITELLIN (LV-2)

(Ichthyomyzon
unicuspis) 		PF01347
(Vitellogenin_N)
PF09172
(DUF1943)
PF09175
(DUF1944) 		4 ALA B1366
GLN B1374
LEU A1020
SER A1059
 None
 0.89A 3qj7A-1lshB:
undetectable
3qj7D-1lshB:
undetectable		 3qj7A-1lshB:
23.96
3qj7D-1lshB:
23.96
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.
1na6 RESTRICTION
ENDONUCLEASE ECORII

(Escherichia
coli) 		PF09019
(EcoRII-C)
PF09217
(EcoRII-N) 		4 ALA A  82
LEU A  66
ASP A 130
SER A  53
 None
 0.89A 3qj7A-1na6A:
undetectable
3qj7D-1na6A:
undetectable		 3qj7A-1na6A:
22.76
3qj7D-1na6A:
22.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nnt OVOTRANSFERRIN

(Gallus gallus) 		PF00405
(Transferrin) 		4 ARG A 246
ALA A 249
TYR A 319
SER A 122
 None
None
None
FE  A 333 ( 4.9A)
 1.02A 3qj7A-1nntA:
undetectable
3qj7D-1nntA:
undetectable		 3qj7A-1nntA:
20.68
3qj7D-1nntA:
20.68
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.
1nt4 GLUCOSE-1-PHOSPHATAS
E

(Escherichia
coli) 		PF00328
(His_Phos_2) 		4 ALA A 142
GLN A 141
ASP A 133
SER A 135
 None
 1.03A 3qj7A-1nt4A:
undetectable
3qj7D-1nt4A:
undetectable		 3qj7A-1nt4A:
23.86
3qj7D-1nt4A:
23.86
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.
1psq PROBABLE THIOL
PEROXIDASE

(Streptococcus
pneumoniae) 		PF08534
(Redoxin) 		4 LEU A 103
ASP A 105
ASP A 108
SER A 110
 None
 1.02A 3qj7A-1psqA:
undetectable
3qj7D-1psqA:
undetectable		 3qj7A-1psqA:
24.25
3qj7D-1psqA:
24.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qr7 PHENYLALANINE-REGULA
TED
3-DEOXY-D-ARABINO-HE
PTULOSONATE-7-PHOSPH
ATE SYNTHASE

(Escherichia
coli) 		PF00793
(DAHP_synth_1) 		4 LEU A 107
ASP A 110
ASP A 114
SER A 116
 None
 1.00A 3qj7A-1qr7A:
undetectable
3qj7D-1qr7A:
undetectable		 3qj7A-1qr7A:
22.59
3qj7D-1qr7A:
22.59
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.
1sb8 WBPP

(Pseudomonas
aeruginosa) 		PF01370
(Epimerase) 		4 ALA A 256
GLN A 259
LEU A 317
TYR A 261
 None
 0.84A 3qj7A-1sb8A:
undetectable
3qj7D-1sb8A:
undetectable		 3qj7A-1sb8A:
23.12
3qj7D-1sb8A:
23.12
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.
1tz6 PUTATIVE SUGAR
KINASE

(Salmonella
enterica) 		PF00294
(PfkB) 		4 ARG A 149
ALA A 180
LEU A 212
ASP A 215
 None
 1.02A 3qj7A-1tz6A:
undetectable
3qj7D-1tz6A:
undetectable		 3qj7A-1tz6A:
20.51
3qj7D-1tz6A:
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.
1u2v ARP2/3 COMPLEX 34KDA
SUBUNIT

(Bos taurus) 		PF04045
(P34-Arc) 		4 ALA D 113
LEU D  15
TYR D  97
SER D 108
 None
 0.96A 3qj7A-1u2vD:
undetectable
3qj7D-1u2vD:
undetectable		 3qj7A-1u2vD:
18.33
3qj7D-1u2vD:
18.33
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.
1vpr LUCIFERASE

(Lingulodinium
polyedra) 		PF10284
(Luciferase_3H)
PF10285
(Luciferase_cat) 		4 ALA A1038
GLN A1037
LEU A 927
SER A1086
 None
 1.03A 3qj7A-1vprA:
undetectable
3qj7D-1vprA:
undetectable		 3qj7A-1vprA:
21.00
3qj7D-1vprA:
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.
1yj8 GLYCEROL-3-PHOSPHATE
DEHYDROGENASE

(Plasmodium
falciparum) 		PF01210
(NAD_Gly3P_dh_N)
PF07479
(NAD_Gly3P_dh_C) 		4 ALA A 135
LEU A 107
ASP A 192
SER A 195
 None
 0.88A 3qj7A-1yj8A:
undetectable
3qj7D-1yj8A:
undetectable		 3qj7A-1yj8A:
19.00
3qj7D-1yj8A:
19.00
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.
2axq SACCHAROPINE
DEHYDROGENASE

(Saccharomyces
cerevisiae) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		4 LEU A 157
ASP A 355
ASP A 381
SER A 390
 None
 1.00A 3qj7A-2axqA:
undetectable
3qj7D-2axqA:
undetectable		 3qj7A-2axqA:
20.04
3qj7D-2axqA:
20.04
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.
2b4m GLYCINE
BETAINE-BINDING
PROTEIN

(Bacillus
subtilis) 		PF04069
(OpuAC) 		4 LEU A  86
ASP A  88
ASP A  37
SER A  92
 None
 0.73A 3qj7A-2b4mA:
undetectable
3qj7D-2b4mA:
undetectable		 3qj7A-2b4mA:
21.90
3qj7D-2b4mA:
21.90
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.
2d4y FLAGELLAR
HOOK-ASSOCIATED
PROTEIN 1

(Salmonella
enterica) 		no annotation 4 GLN A 142
LEU A  98
ASP A 100
SER A 102
 None
 1.00A 3qj7A-2d4yA:
undetectable
3qj7D-2d4yA:
undetectable		 3qj7A-2d4yA:
20.14
3qj7D-2d4yA:
20.14
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.
2dyq AMYLOID BETA A4
PRECURSOR
PROTEIN-BINDING
FAMILY B MEMBER 3

(Homo sapiens) 		no annotation 4 ALA A 402
GLN A 289
LEU A 399
TYR A 291
 None
 1.03A 3qj7A-2dyqA:
undetectable
3qj7D-2dyqA:
undetectable		 3qj7A-2dyqA:
21.37
3qj7D-2dyqA:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2glx 1,5-ANHYDRO-D-FRUCTO
SE REDUCTASE

(Ensifer
adhaerens) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 ALA A 226
LEU A 185
ASP A 191
SER A 222
 None
 0.96A 3qj7A-2glxA:
undetectable
3qj7D-2glxA:
undetectable		 3qj7A-2glxA:
23.38
3qj7D-2glxA:
23.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iag PROSTACYCLIN
SYNTHASE

(Homo sapiens) 		PF00067
(p450) 		4 ALA A 276
GLN A 280
LEU A 263
TYR A 259
 None
HEM  A 600 (-3.2A)
None
None
 1.00A 3qj7A-2iagA:
undetectable
3qj7D-2iagA:
undetectable		 3qj7A-2iagA:
20.29
3qj7D-2iagA:
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.
2iqf CATALASE

(Helicobacter
pylori) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 ARG A 111
ALA A 104
ASP A 238
SER A 241
 None
 1.02A 3qj7A-2iqfA:
undetectable
3qj7D-2iqfA:
undetectable		 3qj7A-2iqfA:
20.38
3qj7D-2iqfA:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oy4 NEUTROPHIL
COLLAGENASE

(Homo sapiens) 		PF00413
(Peptidase_M10) 		4 ALA A 196
LEU A 119
ASP A 233
TYR A 227
 None
 0.96A 3qj7A-2oy4A:
undetectable
3qj7D-2oy4A:
undetectable		 3qj7A-2oy4A:
21.90
3qj7D-2oy4A:
21.90
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.
2p1i RIBONUCLEOTIDE
REDUCTASE, SMALL
CHAIN

(Plasmodium
yoelii) 		PF00268
(Ribonuc_red_sm) 		4 ARG A 261
ALA A 288
LEU A 292
SER A 303
 None
 0.94A 3qj7A-2p1iA:
undetectable
3qj7D-2p1iA:
undetectable		 3qj7A-2p1iA:
22.15
3qj7D-2p1iA:
22.15
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.
2pjd RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE C

(Escherichia
coli) 		PF05175
(MTS)
PF08468
(MTS_N) 		4 ALA A  91
GLN A  94
ASP A  28
TYR A  82
 None
 1.00A 3qj7A-2pjdA:
undetectable
3qj7D-2pjdA:
undetectable		 3qj7A-2pjdA:
24.73
3qj7D-2pjdA:
24.73
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.
2q0a POTASSIUM/SODIUM
HYPERPOLARIZATION-AC
TIVATED CYCLIC
NUCLEOTIDE-GATED
CHANNEL 2

(Mus musculus) 		PF00027
(cNMP_binding) 		4 ALA A 624
LEU A 517
ASP A 631
TYR A 579
 None
 0.95A 3qj7A-2q0aA:
undetectable
3qj7D-2q0aA:
undetectable		 3qj7A-2q0aA:
22.05
3qj7D-2q0aA:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qq4 IRON-SULFUR CLUSTER
BIOSYNTHESIS PROTEIN
ISCU

(Thermus
thermophilus) 		PF01592
(NifU_N) 		4 ARG A 138
ALA A 132
LEU A 128
SER A  90
 None
 1.01A 3qj7A-2qq4A:
undetectable
3qj7D-2qq4A:
undetectable		 3qj7A-2qq4A:
19.49
3qj7D-2qq4A:
19.49
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.
2w2j CARBONIC
ANHYDRASE-RELATED
PROTEIN

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		4 LEU A  70
ASP A  62
TYR A 215
SER A  64
 None
 0.99A 3qj7A-2w2jA:
undetectable
3qj7D-2w2jA:
undetectable		 3qj7A-2w2jA:
20.58
3qj7D-2w2jA:
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.
2waw MOBA RELATE PROTEIN

(Mycobacterium
sp. DSM 3803) 		PF12804
(NTP_transf_3) 		4 ARG A  43
ALA A  36
LEU A  28
ASP A  30
 None
PGE  A1200 ( 4.0A)
PGE  A1200 (-4.9A)
PGE  A1200 (-3.6A)
 0.94A 3qj7A-2wawA:
undetectable
3qj7D-2wawA:
undetectable		 3qj7A-2wawA:
21.64
3qj7D-2wawA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x75 ADENYLOSUCCINATE
LYASE

(Staphylococcus
aureus) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		4 ALA A 371
LEU A 358
ASP A 396
SER A 398
 None
 0.89A 3qj7A-2x75A:
undetectable
3qj7D-2x75A:
undetectable		 3qj7A-2x75A:
20.43
3qj7D-2x75A:
20.43
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.
2xmo LMO2642 PROTEIN

(Listeria
monocytogenes) 		PF00149
(Metallophos) 		4 LEU A 242
ASP A 197
ASP A 177
SER A 180
 None
 0.97A 3qj7A-2xmoA:
undetectable
3qj7D-2xmoA:
undetectable		 3qj7A-2xmoA:
20.85
3qj7D-2xmoA:
20.85
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.
2yc2 SMALL RAB-RELATED
GTPASE

(Chlamydomonas
reinhardtii) 		PF00071
(Ras) 		4 ALA C 156
GLN C 153
LEU C 133
ASP C 162
 None
 0.76A 3qj7A-2yc2C:
undetectable
3qj7D-2yc2C:
undetectable		 3qj7A-2yc2C:
22.10
3qj7D-2yc2C:
22.10
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.
2zv7 TYROSINE-PROTEIN
KINASE LYN

(Mus musculus) 		PF07714
(Pkinase_Tyr) 		4 ALA A 352
LEU A 493
ASP A 498
ASP A 346
 None
 0.94A 3qj7A-2zv7A:
undetectable
3qj7D-2zv7A:
undetectable		 3qj7A-2zv7A:
20.81
3qj7D-2zv7A:
20.81
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.
3ab7 PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0350

(Thermus
thermophilus) 		PF00582
(Usp) 		4 ALA A  16
LEU A 115
ASP A   8
SER A  10
 ALA  A  16 ( 0.0A)
LEU  A 115 ( 0.6A)
ASP  A   8 ( 0.6A)
SER  A  10 ( 0.0A)
 1.01A 3qj7A-3ab7A:
undetectable
3qj7D-3ab7A:
undetectable		 3qj7A-3ab7A:
27.16
3qj7D-3ab7A:
27.16
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.
3c3p METHYLTRANSFERASE

(Geobacter
sulfurreducens) 		PF01596
(Methyltransf_3) 		4 ARG A 163
ALA A 160
LEU A 203
ASP A 132
 EDO  A 217 ( 4.4A)
None
None
None
 0.90A 3qj7A-3c3pA:
undetectable
3qj7D-3c3pA:
undetectable		 3qj7A-3c3pA:
23.74
3qj7D-3c3pA:
23.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cp2 TRNA URIDINE
5-CARBOXYMETHYLAMINO
METHYL MODIFICATION
ENZYME GIDA

(Escherichia
coli) 		PF01134
(GIDA)
PF13932
(GIDA_assoc) 		4 ALA A  73
LEU A  69
ASP A  64
SER A 228
 None
 1.00A 3qj7A-3cp2A:
undetectable
3qj7D-3cp2A:
undetectable		 3qj7A-3cp2A:
17.17
3qj7D-3cp2A:
17.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dfy MUCONATE
CYCLOISOMERASE

(Thermotoga
maritima) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A 100
GLN A 103
LEU A 266
ASP A 273
ASP A  90
 None
 1.43A 3qj7A-3dfyA:
undetectable
3qj7D-3dfyA:
undetectable		 3qj7A-3dfyA:
19.47
3qj7D-3dfyA:
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.
3dr0 CYTOCHROME C6

(Synechococcus
sp. PCC 7002) 		PF13442
(Cytochrome_CBB3) 		4 ALA A  53
LEU A  50
ASP A  45
SER A  47
 None
 0.96A 3qj7A-3dr0A:
undetectable
3qj7D-3dr0A:
undetectable		 3qj7A-3dr0A:
14.62
3qj7D-3dr0A:
14.62
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.
3e8s PUTATIVE SAM
DEPENDENT
METHYLTRANSFERASE

(Pseudomonas
putida) 		PF13489
(Methyltransf_23) 		4 ALA A 124
LEU A  58
ASP A  80
TYR A 102
 SAH  A 300 ( 4.2A)
None
SAH  A 300 (-2.7A)
SAH  A 300 (-3.6A)
 0.76A 3qj7A-3e8sA:
undetectable
3qj7D-3e8sA:
undetectable		 3qj7A-3e8sA:
23.26
3qj7D-3e8sA:
23.26
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.
3ecd SERINE
HYDROXYMETHYLTRANSFE
RASE 2

(Burkholderia
pseudomallei) 		PF00464
(SHMT) 		4 ARG A 409
ALA A 343
LEU A 340
ASP A 403
 None
 1.02A 3qj7A-3ecdA:
undetectable
3qj7D-3ecdA:
undetectable		 3qj7A-3ecdA:
20.46
3qj7D-3ecdA:
20.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ecq ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Streptococcus
pneumoniae) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		4 ARG A1269
ALA A1322
LEU A1354
ASP A1325
 None
 0.79A 3qj7A-3ecqA:
undetectable
3qj7D-3ecqA:
undetectable		 3qj7A-3ecqA:
10.98
3qj7D-3ecqA:
10.98
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.
3egw RESPIRATORY NITRATE
REDUCTASE 1 BETA
CHAIN

(Escherichia
coli) 		PF13247
(Fer4_11)
PF14711
(Nitr_red_bet_C) 		4 ALA B 325
GLN B 326
LEU B 274
ASP B 302
 None
 1.03A 3qj7A-3egwB:
undetectable
3qj7D-3egwB:
undetectable		 3qj7A-3egwB:
21.06
3qj7D-3egwB:
21.06
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.
3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE

(Brucella
melitensis) 		PF00793
(DAHP_synth_1) 		4 GLN A 103
LEU A 114
ASP A  97
ASP A  61
 None
 0.92A 3qj7A-3fs2A:
undetectable
3qj7D-3fs2A:
undetectable		 3qj7A-3fs2A:
23.05
3qj7D-3fs2A:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hqf RESTRICTION
ENDONUCLEASE

(Escherichia
coli) 		PF09217
(EcoRII-N) 		4 ALA A  82
LEU A  66
ASP A 130
SER A  53
 None
 0.93A 3qj7A-3hqfA:
undetectable
3qj7D-3hqfA:
undetectable		 3qj7A-3hqfA:
19.70
3qj7D-3hqfA:
19.70
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.
3hrp UNCHARACTERIZED
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF01833
(TIG) 		4 ARG A  98
ASP A 372
ASP A 354
TYR A 358
 MPD  A   1 (-4.5A)
EDO  A   8 (-2.6A)
MPD  A   1 (-3.3A)
None
 0.98A 3qj7A-3hrpA:
undetectable
3qj7D-3hrpA:
undetectable		 3qj7A-3hrpA:
22.56
3qj7D-3hrpA:
22.56
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.
3hz6 XYLULOKINASE

(Chromobacterium
violaceum) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 ALA A 223
GLN A 226
LEU A 167
TYR A  52
 None
 0.80A 3qj7A-3hz6A:
undetectable
3qj7D-3hz6A:
undetectable		 3qj7A-3hz6A:
20.51
3qj7D-3hz6A:
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.
3i9u HEME OXYGENASE 1

(Rattus
norvegicus) 		PF01126
(Heme_oxygenase) 		4 ALA A 133
LEU A  77
ASP A 140
TYR A 182
 None
None
DTU  A2001 (-4.5A)
None
 0.94A 3qj7A-3i9uA:
undetectable
3qj7D-3i9uA:
undetectable		 3qj7A-3i9uA:
20.95
3qj7D-3i9uA:
20.95
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.
3igz COFACTOR-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Leishmania
mexicana) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		4 ARG B 166
LEU B  25
ASP B 466
SER B  75
 3PG  B 564 ( 3.9A)
None
CO  B 563 (-2.4A)
CO  B 563 (-1.8A)
 1.00A 3qj7A-3igzB:
undetectable
3qj7D-3igzB:
undetectable		 3qj7A-3igzB:
20.00
3qj7D-3igzB:
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.
3isa PUTATIVE ENOYL-COA
HYDRATASE/ISOMERASE

(Bordetella
parapertussis) 		PF00378
(ECH_1) 		4 ARG A 214
ALA A 120
LEU A 117
ASP A 221
 None
 1.01A 3qj7A-3isaA:
undetectable
3qj7D-3isaA:
undetectable		 3qj7A-3isaA:
21.35
3qj7D-3isaA:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k0y PUTATIVE TOXIN
RELATED PROTEIN

(Parabacteroides
distasonis) 		PF12667
(NigD_N)
PF17415
(NigD_C) 		4 LEU A 200
ASP A 202
ASP A 230
TYR A 227
 None
 0.77A 3qj7A-3k0yA:
undetectable
3qj7D-3k0yA:
undetectable		 3qj7A-3k0yA:
19.41
3qj7D-3k0yA:
19.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k96 GLYCEROL-3-PHOSPHATE
DEHYDROGENASE
[NAD(P)+]

(Coxiella
burnetii) 		PF01210
(NAD_Gly3P_dh_N)
PF07479
(NAD_Gly3P_dh_C) 		4 ALA A 106
LEU A  80
ASP A  78
ASP A 164
 None
 1.00A 3qj7A-3k96A:
undetectable
3qj7D-3k96A:
undetectable		 3qj7A-3k96A:
22.69
3qj7D-3k96A:
22.69
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.
3m9x D-XYLOSE-BINDING
PERIPLASMIC PROTEIN

(Escherichia
coli) 		PF13407
(Peripla_BP_4) 		4 ALA A  79
LEU A  62
ASP A  99
ASP A  97
 None
 1.01A 3qj7A-3m9xA:
undetectable
3qj7D-3m9xA:
undetectable		 3qj7A-3m9xA:
22.04
3qj7D-3m9xA:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mlu HUMAN MONOCLONAL
ANTI-HIV-1 GP120 V3
ANTIBODY 2557 FAB
LIGHT CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ALA L  90
LEU L  28
ASP L  30
TYR L   2
 None
 1.01A 3qj7A-3mluL:
undetectable
3qj7D-3mluL:
undetectable		 3qj7A-3mluL:
22.51
3qj7D-3mluL:
22.51
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.
3n0c THYMIDYLATE SYNTHASE
THYX

(Thermotoga
maritima) 		PF02511
(Thy1) 		4 ALA A 175
LEU A 215
ASP A 213
TYR A 210
 None
 0.95A 3qj7A-3n0cA:
undetectable
3qj7D-3n0cA:
undetectable		 3qj7A-3n0cA:
22.83
3qj7D-3n0cA:
22.83
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.
3npe 9-CIS-EPOXYCAROTENOI
D DIOXYGENASE 1,
CHLOROPLASTIC

(Zea mays) 		PF03055
(RPE65) 		4 ARG A 204
ALA A 198
ASP A 174
TYR A 269
 None
 0.83A 3qj7A-3npeA:
undetectable
3qj7D-3npeA:
undetectable		 3qj7A-3npeA:
18.27
3qj7D-3npeA:
18.27
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.
3oz7 PHOSPHOGLYCERATE
KINASE

(Plasmodium
falciparum) 		PF00162
(PGK) 		4 ALA A 214
LEU A 256
ASP A 258
SER A 217
 SO4  A 501 (-3.6A)
None
None
None
 0.82A 3qj7A-3oz7A:
undetectable
3qj7D-3oz7A:
undetectable		 3qj7A-3oz7A:
20.44
3qj7D-3oz7A:
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.
3qnb OXACILLINASE

(Escherichia
coli) 		PF00905
(Transpeptidase) 		4 ARG A  97
ALA A 111
LEU A 108
ASP A 105
 None
 1.00A 3qj7A-3qnbA:
undetectable
3qj7D-3qnbA:
undetectable		 3qj7A-3qnbA:
23.53
3qj7D-3qnbA:
23.53
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.
3r4r HYPOTHETICAL
FIMBRIAL ASSEMBLY
PROTEIN

(Parabacteroides
distasonis) 		PF06321
(P_gingi_FimA) 		5 ALA A  72
LEU A 123
ASP A 137
TYR A 149
SER A 134
 None
 1.49A 3qj7A-3r4rA:
undetectable
3qj7D-3r4rA:
undetectable		 3qj7A-3r4rA:
22.26
3qj7D-3r4rA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rcn BETA-N-ACETYLHEXOSAM
INIDASE

(Paenarthrobacter
aurescens) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b) 		4 ALA A 250
LEU A 257
ASP A 242
TYR A 291
 None
 1.01A 3qj7A-3rcnA:
undetectable
3qj7D-3rcnA:
undetectable		 3qj7A-3rcnA:
19.01
3qj7D-3rcnA:
19.01
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.
3unf PROTEASOME SUBUNIT
BETA TYPE-10

(Mus musculus) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		4 ALA H  46
ASP H  17
ASP H 166
SER H 169
 04C  H 301 ( 4.3A)
04C  H 301 ( 4.9A)
None
None
 1.02A 3qj7A-3unfH:
undetectable
3qj7D-3unfH:
undetectable		 3qj7A-3unfH:
21.71
3qj7D-3unfH:
21.71
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.
3w1g DNA LIGASE 4

(Homo sapiens) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		4 ARG A 293
LEU A 370
ASP A 441
TYR A 438
 SO4  A 709 ( 3.4A)
None
None
None
 1.03A 3qj7A-3w1gA:
undetectable
3qj7D-3w1gA:
undetectable		 3qj7A-3w1gA:
18.55
3qj7D-3w1gA:
18.55
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.
4blq P4

(Pseudomonas
phage phi8) 		PF11602
(NTPase_P4) 		4 ALA A 135
LEU A 168
ASP A 166
ASP A 164
 None
 1.04A 3qj7A-4blqA:
undetectable
3qj7D-4blqA:
undetectable		 3qj7A-4blqA:
19.54
3qj7D-4blqA:
19.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c4a PROTEIN ARGININE
N-METHYLTRANSFERASE
7

(Mus musculus) 		PF06325
(PrmA) 		4 ARG A 556
ALA A 561
LEU A 613
ASP A 680
 None
 0.93A 3qj7A-4c4aA:
undetectable
3qj7D-4c4aA:
undetectable		 3qj7A-4c4aA:
17.77
3qj7D-4c4aA:
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.
4c90 ALPHA-GLUCURONIDASE
GH115

(Bacteroides
ovatus) 		PF15979
(Glyco_hydro_115) 		4 ALA A 556
GLN A 559
LEU A 576
TYR A 571
 None
 1.01A 3qj7A-4c90A:
undetectable
3qj7D-4c90A:
undetectable		 3qj7A-4c90A:
15.82
3qj7D-4c90A:
15.82
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.
4dsh UDP-GALACTOPYRANOSE
MUTASE

(Trypanosoma
cruzi) 		PF01593
(Amino_oxidase)
PF13450
(NAD_binding_8) 		4 ALA A 469
ASP A  72
ASP A 435
SER A  66
 None
 1.03A 3qj7A-4dshA:
undetectable
3qj7D-4dshA:
undetectable		 3qj7A-4dshA:
19.03
3qj7D-4dshA:
19.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f32 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Burkholderia
vietnamiensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 ALA A 303
GLN A 306
LEU A 297
ASP A 301
 None
 0.99A 3qj7A-4f32A:
undetectable
3qj7D-4f32A:
undetectable		 3qj7A-4f32A:
20.80
3qj7D-4f32A:
20.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f3p GLUTAMINE-BINDING
PERIPLASMIC PROTEIN

(Burkholderia
pseudomallei) 		PF00497
(SBP_bac_3) 		4 ALA A 114
LEU A 185
ASP A 180
ASP A 206
 None
 1.00A 3qj7A-4f3pA:
undetectable
3qj7D-4f3pA:
undetectable		 3qj7A-4f3pA:
22.95
3qj7D-4f3pA:
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.
4fcs VERSATILE PEROXIDASE
VPL2

(Pleurotus
eryngii) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		4 ALA A  49
LEU A 268
ASP A  62
SER A  64
 None
None
CA  A 402 (-3.1A)
CA  A 402 (-2.4A)
 1.03A 3qj7A-4fcsA:
undetectable
3qj7D-4fcsA:
undetectable		 3qj7A-4fcsA:
21.97
3qj7D-4fcsA:
21.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4fog THYMIDYLATE SYNTHASE

(Mycobacterium
tuberculosis) 		PF00303
(Thymidylat_synt) 		6 ARG A 120
ALA A 190
GLN A 191
LEU A 232
ASP A 234
TYR A 241
 None
 0.37A 3qj7A-4fogA:
42.9
3qj7D-4fogA:
42.1		 3qj7A-4fogA:
100.00
3qj7D-4fogA:
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.
4g10 GLUTATHIONE
S-TRANSFERASE
HOMOLOG

(Sphingomonas
paucimobilis) 		PF13417
(GST_N_3)
PF16865
(GST_C_5) 		4 LEU A 211
ASP A 216
TYR A 177
SER A 234
 None
 1.00A 3qj7A-4g10A:
undetectable
3qj7D-4g10A:
undetectable		 3qj7A-4g10A:
22.44
3qj7D-4g10A:
22.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h0u THYMIDYLATE SYNTHASE

(Corynebacterium
glutamicum) 		PF00303
(Thymidylat_synt) 		4 ARG A 123
GLN A 194
LEU A 235
TYR A 244
 None
 0.70A 3qj7A-4h0uA:
41.1
3qj7D-4h0uA:
40.9		 3qj7A-4h0uA:
72.18
3qj7D-4h0uA:
72.18
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.
4iit PHENYLACETATE-COA
OXYGENASE SUBUNIT
PAAC

(Klebsiella
pneumoniae) 		PF05138
(PaaA_PaaC) 		4 ARG C 244
ALA C  72
LEU C  56
ASP C  67
 None
 0.87A 3qj7A-4iitC:
undetectable
3qj7D-4iitC:
undetectable		 3qj7A-4iitC:
22.48
3qj7D-4iitC:
22.48
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.
4jhr G-PROTEIN-SIGNALING
MODULATOR 2

(Mus musculus) 		PF02188
(GoLoco)
PF13176
(TPR_7)
PF13424
(TPR_12) 		4 ARG A 235
ALA A 275
GLN A 276
SER A 280
 None
 1.04A 3qj7A-4jhrA:
undetectable
3qj7D-4jhrA:
undetectable		 3qj7A-4jhrA:
21.51
3qj7D-4jhrA:
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.
4koa 1,5-ANHYDRO-D-FRUCTO
SE REDUCTASE

(Sinorhizobium
meliloti) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 ALA A 226
LEU A 185
ASP A 191
SER A 222
 None
 0.90A 3qj7A-4koaA:
undetectable
3qj7D-4koaA:
undetectable		 3qj7A-4koaA:
22.12
3qj7D-4koaA:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mec HEME OXYGENASE 1

(Rattus
norvegicus) 		PF01126
(Heme_oxygenase) 		4 ALA A 133
LEU A  77
ASP A 140
TYR A 182
 None
 1.04A 3qj7A-4mecA:
undetectable
3qj7D-4mecA:
undetectable		 3qj7A-4mecA:
22.89
3qj7D-4mecA:
22.89
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.
4nzr PROTEIN M TD

(Mycoplasma
genitalium) 		no annotation 5 ALA M 149
GLN M 174
LEU M 155
TYR M 157
SER M 232
 None
 1.39A 3qj7A-4nzrM:
undetectable
3qj7D-4nzrM:
undetectable		 3qj7A-4nzrM:
22.80
3qj7D-4nzrM:
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.
4ot9 NUCLEAR FACTOR
NF-KAPPA-B P100
SUBUNIT

(Homo sapiens) 		PF12796
(Ank_2) 		4 ARG A 658
ALA A 624
LEU A 592
ASP A 617
 None
 0.88A 3qj7A-4ot9A:
undetectable
3qj7D-4ot9A:
undetectable		 3qj7A-4ot9A:
23.08
3qj7D-4ot9A:
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.
4qxr STIMULATOR OF
INTERFERON GENES
PROTEIN

(Homo sapiens) 		PF15009
(TMEM173) 		4 ALA A 215
LEU A 212
ASP A 210
TYR A 261
 None
 0.94A 3qj7A-4qxrA:
undetectable
3qj7D-4qxrA:
undetectable		 3qj7A-4qxrA:
21.17
3qj7D-4qxrA:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r10 PROTEIN HUMPBACK-2

(Caenorhabditis
elegans) 		PF00514
(Arm) 		4 ALA A 206
LEU A 210
ASP A 236
SER A 239
 None
 1.00A 3qj7A-4r10A:
undetectable
3qj7D-4r10A:
undetectable		 3qj7A-4r10A:
20.52
3qj7D-4r10A:
20.52
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.
4wk7 A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 4

(Homo sapiens) 		PF01421
(Reprolysin) 		4 ARG A 259
LEU A 370
ASP A 372
SER A 405
 None
 0.99A 3qj7A-4wk7A:
undetectable
3qj7D-4wk7A:
undetectable		 3qj7A-4wk7A:
24.01
3qj7D-4wk7A:
24.01
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.
4xgc ORIGIN RECOGNITION
COMPLEX SUBUNIT 3
ORIGIN RECOGNITION
COMPLEX SUBUNIT 5

(Drosophila
melanogaster) 		PF07034
(ORC3_N)
PF13191
(AAA_16)
PF14630
(ORC5_C) 		4 ALA E 325
GLN E 406
LEU E 321
ASP C 308
 None
 1.03A 3qj7A-4xgcE:
undetectable
3qj7D-4xgcE:
undetectable		 3qj7A-4xgcE:
19.87
3qj7D-4xgcE:
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.
4xzw ENDO-GLUCANASE
CHIMERA C10

(Geobacillus sp.
70PC53;
uncultured
bacterium) 		PF00150
(Cellulase) 		4 ALA A 272
ASP A 235
ASP A 239
SER A 237
 None
 0.96A 3qj7A-4xzwA:
undetectable
3qj7D-4xzwA:
undetectable		 3qj7A-4xzwA:
22.50
3qj7D-4xzwA:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yub NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE

(Homo sapiens) 		no annotation 4 ARG A 203
ALA A 182
ASP A 177
TYR A 144
 None
 0.96A 3qj7A-4yubA:
undetectable
3qj7D-4yubA:
undetectable		 3qj7A-4yubA:
19.30
3qj7D-4yubA:
19.30
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.
4zm6 N-ACETYL-BETA-D
GLUCOSAMINIDASE

(Rhizomucor
miehei) 		PF00583
(Acetyltransf_1)
PF00933
(Glyco_hydro_3) 		4 ARG A 520
LEU A 631
ASP A 633
SER A 107
 ACO  A 901 (-3.5A)
None
None
None
 1.00A 3qj7A-4zm6A:
undetectable
3qj7D-4zm6A:
undetectable		 3qj7A-4zm6A:
14.67
3qj7D-4zm6A:
14.67
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.
5a55 ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Streptococcus
pneumoniae) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		4 ARG A1269
ALA A1322
LEU A1354
ASP A1325
 None
 0.82A 3qj7A-5a55A:
undetectable
3qj7D-5a55A:
undetectable		 3qj7A-5a55A:
13.88
3qj7D-5a55A:
13.88
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.
5anb ELONGATION FACTOR TU
GTP-BINDING
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF14492
(EFG_II) 		4 ALA K 119
LEU K 151
ASP K 149
SER K 236
 None
 1.01A 3qj7A-5anbK:
undetectable
3qj7D-5anbK:
undetectable		 3qj7A-5anbK:
12.20
3qj7D-5anbK:
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.
5bql FLUORESCENT PROTEIN
CYOFP

(Escherichia
coli) 		PF01353
(GFP) 		4 ARG A 201
ALA A 223
LEU A  80
ASP A  82
 NRQ  A  67 ( 3.8A)
None
None
None
 0.78A 3qj7A-5bqlA:
undetectable
3qj7D-5bqlA:
undetectable		 3qj7A-5bqlA:
20.58
3qj7D-5bqlA:
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.
5cvo UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 46
WD REPEAT-CONTAINING
PROTEIN 48

(Homo sapiens) 		PF00400
(WD40)
PF00443
(UCH) 		4 ARG B 181
LEU A 137
ASP A 169
TYR A 172
 None
 0.96A 3qj7A-5cvoB:
undetectable
3qj7D-5cvoB:
undetectable		 3qj7A-5cvoB:
19.78
3qj7D-5cvoB:
19.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cx0 PEPTIDE DEFORMYLASE

(Xanthomonas
oryzae) 		PF01327
(Pep_deformylase) 		4 ARG A 129
ALA A  79
ASP A 123
SER A 125
 None
 0.94A 3qj7A-5cx0A:
undetectable
3qj7D-5cx0A:
undetectable		 3qj7A-5cx0A:
20.54
3qj7D-5cx0A:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e5d PEPTIDE DEFORMYLASE

(Xanthomonas
oryzae) 		PF01327
(Pep_deformylase) 		4 ARG A 129
ALA A  79
ASP A 123
SER A 125
 None
 1.00A 3qj7A-5e5dA:
undetectable
3qj7D-5e5dA:
undetectable		 3qj7A-5e5dA:
23.71
3qj7D-5e5dA:
23.71
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.
5ft6 CYSTEINE DESULFURASE
CSDA

(Escherichia
coli) 		PF00266
(Aminotran_5) 		4 ALA A 186
LEU A 164
ASP A 214
ASP A 212
 None
 0.80A 3qj7A-5ft6A:
undetectable
3qj7D-5ft6A:
undetectable		 3qj7A-5ft6A:
20.10
3qj7D-5ft6A:
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.
5if3 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Burkholderia
vietnamiensis) 		PF00106
(adh_short) 		4 ARG A 178
ALA A 131
LEU A  77
ASP A  82
 None
 1.02A 3qj7A-5if3A:
undetectable
3qj7D-5if3A:
undetectable		 3qj7A-5if3A:
21.55
3qj7D-5if3A:
21.55
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.
5ikg DYE-DECOLORIZING
PEROXIDASE

(Auricularia
auricula-judae) 		PF04261
(Dyp_perox) 		4 ALA A 250
LEU A 247
ASP A 269
SER A 258
 None
 0.93A 3qj7A-5ikgA:
undetectable
3qj7D-5ikgA:
undetectable		 3qj7A-5ikgA:
21.55
3qj7D-5ikgA:
21.55