SIMILAR PATTERNS OF AMINO ACIDS FOR 4GKH_K_KANK301

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.
1iv8 MALTOOLIGOSYL
TREHALOSE SYNTHASE

(Sulfolobus
acidocaldarius) 		PF00128
(Alpha-amylase)
PF09196
(DUF1953) 		4 ASP A 228
ASP A 596
ASP A 443
GLU A 255
 None
MLZ  A 513 ( 4.9A)
None
None
 1.15A 4gkhC-1iv8A:
undetectable
4gkhK-1iv8A:
0.0		 4gkhC-1iv8A:
16.69
4gkhK-1iv8A:
16.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1l8t AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E

(Enterococcus
faecalis) 		PF01636
(APH) 		4 ASP A 190
GLU A 230
ASP A 261
GLU A 262
 KAN  A   1 (-3.2A)
KAN  A   1 (-2.8A)
KAN  A   1 (-3.8A)
KAN  A   1 (-3.1A)
 0.94A 4gkhC-1l8tA:
28.8
4gkhK-1l8tA:
27.4		 4gkhC-1l8tA:
31.71
4gkhK-1l8tA:
31.71
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.
1lwu FIBRINOGEN GAMMA
CHAIN

(Petromyzon
marinus) 		PF00147
(Fibrinogen_C) 		4 ASP C 390
ASP C 247
ASP C 259
ASP C 283
 None
 1.14A 4gkhC-1lwuC:
undetectable
4gkhK-1lwuC:
undetectable		 4gkhC-1lwuC:
22.73
4gkhK-1lwuC:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ms8 TRANS-SIALIDASE

(Trypanosoma
cruzi) 		PF13385
(Laminin_G_3)
PF13859
(BNR_3) 		4 ASP A  59
ASP A  51
GLU A 357
ASP A  96
 DAN  A 700 (-2.7A)
None
None
DAN  A 700 (-3.3A)
 0.99A 4gkhC-1ms8A:
0.4
4gkhK-1ms8A:
0.0		 4gkhC-1ms8A:
18.18
4gkhK-1ms8A:
18.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nd4 AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E

(Klebsiella
pneumoniae) 		PF01636
(APH) 		5 ASP A 157
ASP A 159
ASP A 190
ASP A 261
GLU A 262
 KAN  A1300 (-3.7A)
KAN  A1300 (-3.2A)
KAN  A1300 ( 2.8A)
KAN  A1300 (-3.8A)
KAN  A1300 (-3.1A)
 0.27A 4gkhC-1nd4A:
32.0
4gkhK-1nd4A:
30.8		 4gkhC-1nd4A:
33.94
4gkhK-1nd4A:
33.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nd4 AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E

(Klebsiella
pneumoniae) 		PF01636
(APH) 		5 ASP A 157
ASP A 159
GLU A 230
ASP A 261
GLU A 262
 KAN  A1300 (-3.7A)
KAN  A1300 (-3.2A)
KAN  A1300 (-4.1A)
KAN  A1300 (-3.8A)
KAN  A1300 (-3.1A)
 0.83A 4gkhC-1nd4A:
32.0
4gkhK-1nd4A:
30.8		 4gkhC-1nd4A:
33.94
4gkhK-1nd4A:
33.94
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.
1nnh ASPARAGINYL-TRNA
SYNTHETASE-RELATED
PEPTIDE

(Pyrococcus
furiosus) 		PF00152
(tRNA-synt_2) 		4 ASP A 195
ASP A  52
ASP A 118
GLU A 192
 None
 1.12A 4gkhC-1nnhA:
1.7
4gkhK-1nnhA:
0.6		 4gkhC-1nnhA:
20.79
4gkhK-1nnhA:
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.
1nsv GALACTOSE MUTAROTASE

(Lactococcus
lactis) 		PF01263
(Aldose_epim) 		4 ASP A  58
ASN A  96
GLU A 304
GLU A  90
 None
BGC  A1400 (-2.8A)
BGC  A1400 ( 4.8A)
None
 1.14A 4gkhC-1nsvA:
0.0
4gkhK-1nsvA:
0.0		 4gkhC-1nsvA:
21.55
4gkhK-1nsvA:
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.
1q5a EP-CADHERIN

(Mus musculus) 		PF00028
(Cadherin) 		4 ASP A  67
ASN A 104
GLU A  11
ASP A 195
 CA  A 907 (-2.7A)
None
CA  A 906 ( 2.9A)
CA  A 905 (-2.6A)
 1.00A 4gkhC-1q5aA:
undetectable
4gkhK-1q5aA:
undetectable		 4gkhC-1q5aA:
15.27
4gkhK-1q5aA:
15.27
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.
1r4n UBIQUITIN-ACTIVATING
ENZYME E1C

(Homo sapiens) 		PF00899
(ThiF)
PF08825
(E2_bind) 		4 ASP B 146
ASP B  84
ASP B  81
ASP B 250
 ATP  B   5 (-2.9A)
None
ATP  B   5 (-3.7A)
None
 0.91A 4gkhC-1r4nB:
undetectable
4gkhK-1r4nB:
undetectable		 4gkhC-1r4nB:
21.20
4gkhK-1r4nB:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vb5 TRANSLATION
INITIATION FACTOR
EIF-2B

(Pyrococcus
horikoshii) 		PF01008
(IF-2B) 		4 ASP A 146
ASP A 186
GLU A 148
ASP A 252
 None
 1.11A 4gkhC-1vb5A:
undetectable
4gkhK-1vb5A:
2.2		 4gkhC-1vb5A:
22.19
4gkhK-1vb5A:
22.19
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.
1wra TEICHOIC ACID
PHOSPHORYLCHOLINE
ESTERASE/CHOLINE
BINDING PROTEIN E
(CBPE)

(Streptococcus
pneumoniae) 		PF00753
(Lactamase_B) 		4 ASP A 120
ASP A 149
ASP A  62
GLU A  61
 CA  A 403 (-2.6A)
None
CA  A 404 ( 3.1A)
CA  A 404 (-3.3A)
 1.13A 4gkhC-1wraA:
undetectable
4gkhK-1wraA:
undetectable		 4gkhC-1wraA:
21.84
4gkhK-1wraA:
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.
1wxf NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Escherichia
coli) 		PF02540
(NAD_synthase) 		4 ASP A  52
ASP A 161
ASP A 235
GLU A 165
 None
 1.11A 4gkhC-1wxfA:
undetectable
4gkhK-1wxfA:
undetectable		 4gkhC-1wxfA:
21.62
4gkhK-1wxfA:
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.
2bf4 NADPH-CYTOCHROME
P450 REDUCTASE

(Saccharomyces
cerevisiae) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		4 ASP A 193
ASP A 201
GLU A 194
GLU A  82
 FMN  A 752 (-3.8A)
None
None
None
 1.15A 4gkhC-2bf4A:
undetectable
4gkhK-2bf4A:
undetectable		 4gkhC-2bf4A:
15.96
4gkhK-2bf4A:
15.96
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.
2bqx INORGANIC
PYROPHOSPHATASE

(Helicobacter
pylori) 		PF00719
(Pyrophosphatase) 		4 ASP A  41
ASP A 101
GLU A 144
GLU A  30
 None
 1.10A 4gkhC-2bqxA:
undetectable
4gkhK-2bqxA:
undetectable		 4gkhC-2bqxA:
21.35
4gkhK-2bqxA:
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.
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca) 		PF08841
(DDR) 		4 ASP A 440
ASP A 420
ASP A   8
ASN A  11
 None
None
MG  A1003 ( 4.1A)
ADP  A1001 (-4.4A)
 1.06A 4gkhC-2d0oA:
undetectable
4gkhK-2d0oA:
undetectable		 4gkhC-2d0oA:
18.36
4gkhK-2d0oA:
18.36
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.
2i2x METHYLTRANSFERASE 1

(Methanosarcina
barkeri) 		PF12176
(MtaB) 		4 ASN A 224
GLU A 313
ASP A 219
GLU A 272
 None
K  A 511 (-3.6A)
None
None
 1.15A 4gkhC-2i2xA:
undetectable
4gkhK-2i2xA:
undetectable		 4gkhC-2i2xA:
19.22
4gkhK-2i2xA:
19.22
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.
2nvu MALTOSE BINDING
PROTEIN/NEDD8-ACTIVA
TING ENZYME E1
CATALYTIC SUBUNIT
CHIMERA

(Homo sapiens) 		PF00899
(ThiF)
PF08825
(E2_bind)
PF13416
(SBP_bac_8) 		4 ASP B2146
ASP B2084
ASP B2081
ASP B2250
 MG  B 101 ( 3.1A)
None
ATP  B 103 (-3.8A)
None
 0.91A 4gkhC-2nvuB:
undetectable
4gkhK-2nvuB:
undetectable		 4gkhC-2nvuB:
17.17
4gkhK-2nvuB:
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.
2por PORIN

(Rhodobacter
capsulatus) 		PF13609
(Porin_4) 		4 ASP A  74
ASP A 108
ASP A  93
ASP A 101
 None
CA  A 302 (-3.3A)
CA  A 303 (-2.1A)
CA  A 303 (-2.9A)
 1.06A 4gkhC-2porA:
undetectable
4gkhK-2porA:
undetectable		 4gkhC-2porA:
23.48
4gkhK-2porA:
23.48
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.
2pz8 NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Bacillus
anthracis) 		PF02540
(NAD_synthase) 		4 ASP A  51
ASP A 159
ASP A 233
GLU A 163
 APC  A3001 (-3.7A)
None
None
APC  A3001 ( 4.6A)
 1.10A 4gkhC-2pz8A:
undetectable
4gkhK-2pz8A:
undetectable		 4gkhC-2pz8A:
21.57
4gkhK-2pz8A:
21.57
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.
2qde MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Aromatoleum
aromaticum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ASP A 246
ASP A  52
GLU A 325
GLU A 247
 BA  A 401 (-3.7A)
None
None
BA  A 401 (-3.3A)
 1.05A 4gkhC-2qdeA:
undetectable
4gkhK-2qdeA:
undetectable		 4gkhC-2qdeA:
20.70
4gkhK-2qdeA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rhp THROMBOSPONDIN-2

(Homo sapiens) 		PF02412
(TSP_3)
PF05735
(TSP_C)
PF07645
(EGF_CA)
PF12947
(EGF_3) 		4 ASP A 738
ASP A 734
ASP A 754
ASN A 746
 None
CA  A  26 ( 2.8A)
CA  A  23 ( 2.3A)
CA  A  26 (-2.7A)
 1.10A 4gkhC-2rhpA:
undetectable
4gkhK-2rhpA:
undetectable		 4gkhC-2rhpA:
17.61
4gkhK-2rhpA:
17.61
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.
2rhp THROMBOSPONDIN-2

(Homo sapiens) 		PF02412
(TSP_3)
PF05735
(TSP_C)
PF07645
(EGF_CA)
PF12947
(EGF_3) 		4 ASP A 894
ASP A 890
ASP A 910
ASN A 902
 None
CA  A   7 ( 2.5A)
CA  A1175 ( 2.5A)
CA  A1176 (-3.1A)
 1.14A 4gkhC-2rhpA:
undetectable
4gkhK-2rhpA:
undetectable		 4gkhC-2rhpA:
17.61
4gkhK-2rhpA:
17.61
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.
2uxs INORGANIC
PYROPHOSPHATASE

(Mycobacterium
tuberculosis) 		PF00719
(Pyrophosphatase) 		4 ASP A  36
ASP A  64
GLU A  25
ASP A  59
 PO4  A1167 ( 4.8A)
None
None
None
 1.12A 4gkhC-2uxsA:
undetectable
4gkhK-2uxsA:
undetectable		 4gkhC-2uxsA:
23.10
4gkhK-2uxsA:
23.10
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.
2vhh CG3027-PA

(Drosophila
melanogaster) 		PF00795
(CN_hydrolase) 		4 ASP A  54
ASP A  35
ASN A   8
GLU A  14
 None
 1.15A 4gkhC-2vhhA:
undetectable
4gkhK-2vhhA:
undetectable		 4gkhC-2vhhA:
20.59
4gkhK-2vhhA:
20.59
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.
2wba TRYPANOTHIONE
REDUCTASE

(Trypanosoma
brucei) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 ASP A 432
ASP A  71
ASN A 245
GLU A  75
 None
 1.07A 4gkhC-2wbaA:
undetectable
4gkhK-2wbaA:
undetectable		 4gkhC-2wbaA:
20.28
4gkhK-2wbaA:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wjr PROBABLE
N-ACETYLNEURAMINIC
ACID OUTER MEMBRANE
CHANNEL PROTEIN NANC

(Escherichia
coli) 		PF06178
(KdgM) 		4 ASP A  54
GLU A  35
ASP A 188
GLU A 168
 None
None
None
EPE  A1216 ( 4.6A)
 1.10A 4gkhC-2wjrA:
undetectable
4gkhK-2wjrA:
undetectable		 4gkhC-2wjrA:
20.22
4gkhK-2wjrA:
20.22
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.
2x56 COAGULASE/FIBRINOLYS
IN

(Yersinia pestis) 		PF01278
(Omptin) 		4 ASP A 204
ASP A  86
GLU A 217
ASP A  84
 None
None
C8E  A1308 (-4.0A)
None
 1.03A 4gkhC-2x56A:
undetectable
4gkhK-2x56A:
undetectable		 4gkhC-2x56A:
23.78
4gkhK-2x56A:
23.78
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.
2xhe UNC18

(Monosiga
brevicollis) 		PF00995
(Sec1) 		4 ASP A  56
ASP A  30
ASP A  86
ASN A  79
 None
 0.91A 4gkhC-2xheA:
undetectable
4gkhK-2xheA:
undetectable		 4gkhC-2xheA:
16.92
4gkhK-2xheA:
16.92
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.
2ymu WD-40 REPEAT PROTEIN

(Nostoc
punctiforme) 		PF00400
(WD40) 		4 ASP A 282
ASP A  36
ASP A 118
ASP A  77
 None
 1.07A 4gkhC-2ymuA:
undetectable
4gkhK-2ymuA:
undetectable		 4gkhC-2ymuA:
19.86
4gkhK-2ymuA:
19.86
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.
3aqc COMPONENT B OF
HEXAPRENYL
DIPHOSPHATE SYNTHASE

(Micrococcus
luteus) 		PF00348
(polyprenyl_synt) 		4 ASP B  88
ASP B 212
GLU B 146
ASP B 230
 MG  B 327 (-2.4A)
None
2DE  B 329 (-3.9A)
MG  B 328 ( 3.6A)
 1.14A 4gkhC-3aqcB:
undetectable
4gkhK-3aqcB:
undetectable		 4gkhC-3aqcB:
21.10
4gkhK-3aqcB:
21.10
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.
3auo DNA POLYMERASE BETA
FAMILY (X FAMILY)

(Thermus
thermophilus) 		PF14520
(HHH_5)
PF14716
(HHH_8)
PF14791
(DNA_pol_B_thumb) 		4 ASP A 505
ASP A 349
ASP A 529
ASP A 415
 None
None
ZN  A 579 ( 4.1A)
None
 1.00A 4gkhC-3auoA:
1.1
4gkhK-3auoA:
undetectable		 4gkhC-3auoA:
19.03
4gkhK-3auoA:
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.
3axi OLIGO-1,6-GLUCOSIDAS
E IMA1

(Saccharomyces
cerevisiae) 		PF00128
(Alpha-amylase) 		4 ASP A 409
ASP A  69
GLU A 411
ASP A 215
 None
GLC  A 601 (-2.6A)
None
GLC  A 601 (-2.9A)
 1.14A 4gkhC-3axiA:
3.8
4gkhK-3axiA:
undetectable		 4gkhC-3axiA:
18.84
4gkhK-3axiA:
18.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cpi RAB GDP-DISSOCIATION
INHIBITOR

(Saccharomyces
cerevisiae) 		PF00996
(GDI) 		4 ASP G 293
ASP G  39
GLU G  47
ASP G  42
 None
 1.09A 4gkhC-3cpiG:
undetectable
4gkhK-3cpiG:
undetectable		 4gkhC-3cpiG:
19.39
4gkhK-3cpiG:
19.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
RESPIRATORY NITRATE
REDUCTASE 1 BETA
CHAIN

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF13247
(Fer4_11)
PF14710
(Nitr_red_alph_N)
PF14711
(Nitr_red_bet_C) 		4 ASP A  33
ASP B 482
ASP B 500
GLU B 472
 None
 1.11A 4gkhC-3egwA:
undetectable
4gkhK-3egwA:
undetectable		 4gkhC-3egwA:
12.43
4gkhK-3egwA:
12.43
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.
3emj INORGANIC
PYROPHOSPHATASE

(Rickettsia
prowazekii) 		PF00719
(Pyrophosphatase) 		4 ASP A  42
ASP A 102
GLU A 145
GLU A  31
 None
 1.15A 4gkhC-3emjA:
undetectable
4gkhK-3emjA:
undetectable		 4gkhC-3emjA:
23.75
4gkhK-3emjA:
23.75
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.
3fby CARTILAGE OLIGOMERIC
MATRIX PROTEIN

(Homo sapiens) 		PF02412
(TSP_3)
PF05735
(TSP_C) 		4 ASP A 466
ASP A 462
ASP A 482
ASN A 474
 None
CA  A 819 ( 2.8A)
CA  A 823 ( 2.8A)
CA  A 820 (-2.9A)
 1.08A 4gkhC-3fbyA:
undetectable
4gkhK-3fbyA:
undetectable		 4gkhC-3fbyA:
20.50
4gkhK-3fbyA:
20.50
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.
3h4x PHOSPHATIDYLINOSITOL
-SPECIFIC
PHOSPHOLIPASE C1

(Streptomyces
antibioticus) 		PF16670
(PI-PLC-C1) 		4 ASP A  62
ASP A 287
ASN A  38
GLU A 129
 None
EOH  A 348 ( 4.5A)
None
None
 0.88A 4gkhC-3h4xA:
undetectable
4gkhK-3h4xA:
undetectable		 4gkhC-3h4xA:
21.59
4gkhK-3h4xA:
21.59
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.
3h7n NUCLEOPORIN NUP120

(Saccharomyces
cerevisiae) 		PF11715
(Nup160) 		4 ASP A   8
ASN A 383
ASP A 388
GLU A 392
 None
 1.11A 4gkhC-3h7nA:
2.4
4gkhK-3h7nA:
undetectable		 4gkhC-3h7nA:
16.00
4gkhK-3h7nA:
16.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hmq NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Salmonella
enterica) 		PF02540
(NAD_synthase) 		4 ASP A  52
ASP A 161
ASP A 235
GLU A 165
 SO4  A 276 (-4.9A)
None
None
None
 1.06A 4gkhC-3hmqA:
undetectable
4gkhK-3hmqA:
undetectable		 4gkhC-3hmqA:
25.26
4gkhK-3hmqA:
25.26
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.
3hwc CHLOROPHENOL-4-MONOO
XYGENASE COMPONENT 2

(Burkholderia
cepacia) 		PF03241
(HpaB)
PF11794
(HpaB_N) 		4 ASP A3461
ASP A3286
ASN A3358
ASP A3363
 None
 1.15A 4gkhC-3hwcA:
undetectable
4gkhK-3hwcA:
undetectable		 4gkhC-3hwcA:
20.16
4gkhK-3hwcA:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iac GLUCURONATE
ISOMERASE

(Salmonella
enterica) 		PF02614
(UxaC) 		4 ASP A 387
ASP A  58
ASP A  31
GLU A 108
 None
 1.13A 4gkhC-3iacA:
undetectable
4gkhK-3iacA:
undetectable		 4gkhC-3iacA:
22.27
4gkhK-3iacA:
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.
3kh5 PROTEIN MJ1225

(Methanocaldococcus
jannaschii) 		PF00571
(CBS) 		4 ASP A 123
ASN A 100
ASP A 102
GLU A 105
 None
 1.09A 4gkhC-3kh5A:
undetectable
4gkhK-3kh5A:
undetectable		 4gkhC-3kh5A:
21.57
4gkhK-3kh5A:
21.57
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.
3ks5 GLYCEROPHOSPHORYL
DIESTER
PHOSPHODIESTERASE

(Agrobacterium
fabrum) 		PF03009
(GDPD) 		4 ASP A  36
ASP A  50
ASP A 231
ASP A  16
 FE  A 250 (-2.6A)
EDO  A 256 (-3.0A)
None
EDO  A 256 (-3.5A)
 1.12A 4gkhC-3ks5A:
undetectable
4gkhK-3ks5A:
undetectable		 4gkhC-3ks5A:
23.30
4gkhK-3ks5A:
23.30
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.
3l6c SERINE RACEMASE

(Rattus
norvegicus) 		PF00291
(PALP) 		4 ASP A 132
ASN A 229
ASP A 215
GLU A 210
 None
MN  A 340 ( 4.6A)
None
MN  A 340 (-3.0A)
 1.13A 4gkhC-3l6cA:
undetectable
4gkhK-3l6cA:
undetectable		 4gkhC-3l6cA:
20.64
4gkhK-3l6cA:
20.64
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.
3l6r SERINE RACEMASE

(Homo sapiens) 		PF00291
(PALP) 		4 ASP A 132
ASN A 229
ASP A 215
GLU A 210
 None
MN  A 348 ( 4.5A)
None
MN  A 348 (-3.1A)
 1.10A 4gkhC-3l6rA:
undetectable
4gkhK-3l6rA:
undetectable		 4gkhC-3l6rA:
21.04
4gkhK-3l6rA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3moz MYO-INOSITOL
HEXAPHOSPHATE
PHOSPHOHYDROLASE

(Selenomonas
ruminantium) 		PF14566
(PTPlike_phytase) 		4 ASP A 153
ASP A 132
GLU A 253
GLU A 168
 5IP  A 401 ( 4.9A)
None
None
None
 1.02A 4gkhC-3mozA:
undetectable
4gkhK-3mozA:
undetectable		 4gkhC-3mozA:
20.85
4gkhK-3mozA:
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.
3odn DALLY-LIKE PROTEIN

(Drosophila
melanogaster) 		PF01153
(Glypican) 		4 ASP A 611
ASP A 208
ASP A 214
GLU A 211
 None
 1.02A 4gkhC-3odnA:
undetectable
4gkhK-3odnA:
undetectable		 4gkhC-3odnA:
19.27
4gkhK-3odnA:
19.27
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.
3om9 LACTATE
DEHYDROGENASE

(Toxoplasma
gondii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 ASP A 197
ASP A 143
ASP A 321
ASN A 110
 None
 1.08A 4gkhC-3om9A:
undetectable
4gkhK-3om9A:
undetectable		 4gkhC-3om9A:
22.67
4gkhK-3om9A:
22.67
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.
3p8t ASNS-LIKE
ASPARAGINYL-TRNA
SYNTHETASE RELATED
PROTEIN

(Pyrococcus
abyssi) 		PF00152
(tRNA-synt_2) 		4 ASP A 195
ASP A  52
ASP A 118
GLU A 192
 None
 1.10A 4gkhC-3p8tA:
undetectable
4gkhK-3p8tA:
1.8		 4gkhC-3p8tA:
20.13
4gkhK-3p8tA:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pct CLASS C ACID
PHOSPHATASE

(Pasteurella
multocida) 		PF03767
(Acid_phosphat_B) 		4 ASP A  63
ASP A 187
ASP A 156
ASN A 124
 None
 1.00A 4gkhC-3pctA:
undetectable
4gkhK-3pctA:
undetectable		 4gkhC-3pctA:
21.93
4gkhK-3pctA:
21.93
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.
3qz4 ENDO-1,4-BETA-XYLANA
SE D

(Bacteroides
thetaiotaomicron) 		PF04616
(Glyco_hydro_43) 		4 ASP A 163
ASP A  39
GLU A 218
ASP A  58
 EPE  A 338 ( 4.6A)
EPE  A 338 (-2.7A)
EPE  A 338 ( 3.6A)
None
 1.12A 4gkhC-3qz4A:
undetectable
4gkhK-3qz4A:
undetectable		 4gkhC-3qz4A:
20.06
4gkhK-3qz4A:
20.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sm9 METABOTROPIC
GLUTAMATE RECEPTOR 3

(Homo sapiens) 		PF01094
(ANF_receptor) 		4 ASP A  38
ASP A 169
ASP A 276
GLU A 299
 None
Z99  A 485 ( 4.5A)
Z99  A 485 ( 3.8A)
None
 1.11A 4gkhC-3sm9A:
undetectable
4gkhK-3sm9A:
undetectable		 4gkhC-3sm9A:
19.62
4gkhK-3sm9A:
19.62
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.
3tr4 INORGANIC
PYROPHOSPHATASE

(Coxiella
burnetii) 		PF00719
(Pyrophosphatase) 		4 ASP A  41
ASP A 101
GLU A  30
GLU A  97
 None
MN  A 176 (-2.5A)
None
None
 0.89A 4gkhC-3tr4A:
undetectable
4gkhK-3tr4A:
undetectable		 4gkhC-3tr4A:
20.07
4gkhK-3tr4A:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wjo OCTAPRENYL
DIPHOSPHATE SYNTHASE

(Escherichia
coli) 		PF00348
(polyprenyl_synt) 		4 ASP A  88
ASP A 211
ASP A 230
GLU A 233
 IPE  A 401 (-3.3A)
IPE  A 402 ( 4.6A)
None
None
 0.93A 4gkhC-3wjoA:
undetectable
4gkhK-3wjoA:
undetectable		 4gkhC-3wjoA:
21.02
4gkhK-3wjoA:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wjo OCTAPRENYL
DIPHOSPHATE SYNTHASE

(Escherichia
coli) 		PF00348
(polyprenyl_synt) 		4 ASP A 211
GLU A 146
ASP A 230
GLU A 233
 IPE  A 402 ( 4.6A)
IPE  A 401 ( 4.9A)
None
None
 0.91A 4gkhC-3wjoA:
undetectable
4gkhK-3wjoA:
undetectable		 4gkhC-3wjoA:
21.02
4gkhK-3wjoA:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zuq BOTULINUM NEUROTOXIN
TYPE B

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07952
(Toxin_trans) 		4 ASP A 730
ASP A 290
ASP A 346
GLU A 726
 None
 1.02A 4gkhC-3zuqA:
undetectable
4gkhK-3zuqA:
undetectable		 4gkhC-3zuqA:
14.70
4gkhK-3zuqA:
14.70
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.
4a01 PROTON
PYROPHOSPHATASE

(Vigna radiata) 		PF03030
(H_PPase) 		4 ASP A 257
ASP A 269
ASP A 287
ASN A 280
 MG  A1767 (-2.5A)
MG  A1768 ( 3.9A)
2PN  A1773 (-3.9A)
MG  A1768 ( 4.9A)
 1.10A 4gkhC-4a01A:
undetectable
4gkhK-4a01A:
0.7		 4gkhC-4a01A:
16.82
4gkhK-4a01A:
16.82
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.
4a01 PROTON
PYROPHOSPHATASE

(Vigna radiata) 		PF03030
(H_PPase) 		4 ASP A 269
ASP A 283
GLU A 268
ASP A 731
 MG  A1768 ( 3.9A)
MG  A1770 ( 2.7A)
2PN  A1773 (-3.7A)
2PN  A1773 (-3.9A)
 1.14A 4gkhC-4a01A:
undetectable
4gkhK-4a01A:
0.7		 4gkhC-4a01A:
16.82
4gkhK-4a01A:
16.82
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.
4a01 PROTON
PYROPHOSPHATASE

(Vigna radiata) 		PF03030
(H_PPase) 		4 ASP A 507
ASP A 269
ASP A 727
GLU A 698
 MG  A1768 (-2.5A)
MG  A1768 ( 3.9A)
MG  A1769 ( 2.5A)
None
 1.10A 4gkhC-4a01A:
undetectable
4gkhK-4a01A:
0.7		 4gkhC-4a01A:
16.82
4gkhK-4a01A:
16.82
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.
4a01 PROTON
PYROPHOSPHATASE

(Vigna radiata) 		PF03030
(H_PPase) 		4 ASP A 691
ASP A 727
ASP A 269
ASP A 257
 MG  A1771 ( 2.7A)
MG  A1769 ( 2.5A)
MG  A1768 ( 3.9A)
MG  A1767 (-2.5A)
 0.91A 4gkhC-4a01A:
undetectable
4gkhK-4a01A:
0.7		 4gkhC-4a01A:
16.82
4gkhK-4a01A:
16.82
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.
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima) 		PF03030
(H_PPase) 		4 ASP A 202
ASP A 660
GLU A 667
ASP A 465
 MG  A1729 (-2.2A)
PO4  A1727 (-2.9A)
None
PO4  A1727 (-2.2A)
 1.04A 4gkhC-4av6A:
0.9
4gkhK-4av6A:
undetectable		 4gkhC-4av6A:
15.78
4gkhK-4av6A:
15.78
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.
4cot EXTRACELLULAR
ENDO-ALPHA-(1->5)-L-
ARABINANASE 2

(Bacillus
subtilis) 		PF04616
(Glyco_hydro_43)
PF16369
(GH43_C) 		4 ASP A 287
ASP A 396
ASN A 253
ASP A 392
 None
 1.10A 4gkhC-4cotA:
undetectable
4gkhK-4cotA:
undetectable		 4gkhC-4cotA:
18.38
4gkhK-4cotA:
18.38
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.
4dxb MALTOSE-BINDING
PERIPLASMIC PROTEIN,
BETA-LACTAMASE TEM
CHIMERA

(Escherichia
coli) 		PF01547
(SBP_bac_1)
PF13354
(Beta-lactamase2) 		4 ASP A 471
ASP A 164
ASP A 487
GLU A 130
 None
ZN  A 701 (-2.3A)
None
None
 1.06A 4gkhC-4dxbA:
undetectable
4gkhK-4dxbA:
undetectable		 4gkhC-4dxbA:
19.36
4gkhK-4dxbA:
19.36
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.
4ecp INORGANIC
PYROPHOSPHATASE

(Mycobacterium
leprae) 		PF00719
(Pyrophosphatase) 		4 ASP A  29
ASP A  57
GLU A  18
ASP A  52
 None
EDO  A 201 (-3.0A)
None
EDO  A 201 (-3.6A)
 1.11A 4gkhC-4ecpA:
undetectable
4gkhK-4ecpA:
undetectable		 4gkhC-4ecpA:
21.05
4gkhK-4ecpA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ecp INORGANIC
PYROPHOSPHATASE

(Mycobacterium
leprae) 		PF00719
(Pyrophosphatase) 		4 ASP A  29
ASP A  89
GLU A 130
GLU A  18
 None
EDO  A 201 (-3.1A)
None
None
 1.15A 4gkhC-4ecpA:
undetectable
4gkhK-4ecpA:
undetectable		 4gkhC-4ecpA:
21.05
4gkhK-4ecpA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gp1 POLYPRENYL
SYNTHETASE

(Pyrobaculum
calidifontis) 		PF00348
(polyprenyl_synt) 		4 ASP A 226
GLU A 148
ASP A 244
GLU A 247
 None
 0.92A 4gkhC-4gp1A:
undetectable
4gkhK-4gp1A:
undetectable		 4gkhC-4gp1A:
22.85
4gkhK-4gp1A:
22.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h05 AMINOGLYCOSIDE-O-PHO
SPHOTRANSFERASE VIII

(Streptomyces
rimosus) 		PF01636
(APH) 		4 ASP A 153
ASP A 184
ASP A 264
GLU A 265
 None
 0.45A 4gkhC-4h05A:
30.0
4gkhK-4h05A:
28.6		 4gkhC-4h05A:
34.03
4gkhK-4h05A:
34.03
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.
4k9z PUTATIVE
THIOL-DISULFIDE
OXIDOREDUCTASE

(Bacteroides
vulgatus) 		PF08534
(Redoxin) 		4 ASP A 113
ASP A  44
ASP A  29
GLU A  31
 None
 1.01A 4gkhC-4k9zA:
undetectable
4gkhK-4k9zA:
undetectable		 4gkhC-4k9zA:
20.07
4gkhK-4k9zA:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kc5 RHIE PROTEIN

(Paraburkholderia
rhizoxinica) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 ASP A3183
ASP A3225
ASN A3256
GLU A3143
 None
 1.15A 4gkhC-4kc5A:
undetectable
4gkhK-4kc5A:
undetectable		 4gkhC-4kc5A:
14.96
4gkhK-4kc5A:
14.96
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.
4m8u OLIGO-1,6-GLUCOSIDAS
E 1

(Bacillus
subtilis) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		4 ASP A 387
ASP A  59
GLU A 389
ASP A 199
 None
TRS  A 601 (-2.8A)
GOL  A 602 (-3.0A)
TRS  A 601 (-2.7A)
 1.15A 4gkhC-4m8uA:
undetectable
4gkhK-4m8uA:
3.9		 4gkhC-4m8uA:
18.38
4gkhK-4m8uA:
18.38
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.
4m8u OLIGO-1,6-GLUCOSIDAS
E 1

(Bacillus
subtilis) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		4 ASP A 387
ASP A 285
GLU A 389
GLU A 255
 None
None
GOL  A 602 (-3.0A)
TRS  A 601 ( 2.7A)
 1.11A 4gkhC-4m8uA:
undetectable
4gkhK-4m8uA:
3.9		 4gkhC-4m8uA:
18.38
4gkhK-4m8uA:
18.38
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.
4ml9 UNCHARACTERIZED
PROTEIN

(Sebaldella
termitidis) 		PF00977
(His_biosynth) 		4 ASP A 262
ASN A  56
GLU A  76
ASP A  37
 EDO  A 310 (-3.6A)
EDO  A 306 (-3.6A)
EDO  A 306 (-3.1A)
None
 1.08A 4gkhC-4ml9A:
undetectable
4gkhK-4ml9A:
undetectable		 4gkhC-4ml9A:
23.79
4gkhK-4ml9A:
23.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n4r LPS-ASSEMBLY
LIPOPROTEIN LPTE
LPS-ASSEMBLY PROTEIN
LPTD

(Salmonella
enterica) 		PF04390
(LptE)
PF04453
(OstA_C) 		4 ASP A 613
ASP A 490
ASN A 540
GLU B 153
 None
 0.95A 4gkhC-4n4rA:
undetectable
4gkhK-4n4rA:
undetectable		 4gkhC-4n4rA:
16.46
4gkhK-4n4rA:
16.46
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.
4ora SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2B
CATALYTIC SUBUNIT
BETA ISOFORM

(Homo sapiens) 		PF00149
(Metallophos) 		4 ASP A 127
ASN A 159
GLU A 490
GLU A 161
 ZN  A 601 ( 3.7A)
ZN  A 601 (-3.2A)
FE  A 602 (-3.5A)
None
 1.12A 4gkhC-4oraA:
undetectable
4gkhK-4oraA:
undetectable		 4gkhC-4oraA:
20.30
4gkhK-4oraA:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qlz SJCHGC07024 PROTEIN

(Schistosoma
japonicum) 		PF00719
(Pyrophosphatase) 		4 ASP A  69
ASP A 150
GLU A  56
GLU A 148
 None
CO  A 404 (-2.8A)
CO  A 403 (-3.4A)
None
 1.12A 4gkhC-4qlzA:
undetectable
4gkhK-4qlzA:
undetectable		 4gkhC-4qlzA:
20.07
4gkhK-4qlzA:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rv3 1-PHOSPHATIDYLINOSIT
OL PHOSPHODIESTERASE

(Staphylococcus
aureus) 		PF00388
(PI-PLC-X) 		4 ASP A 281
ASP A 115
ASP A  65
ASP A 187
 None
 1.12A 4gkhC-4rv3A:
0.4
4gkhK-4rv3A:
undetectable		 4gkhC-4rv3A:
22.73
4gkhK-4rv3A:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u4i CU/ZN SUPEROXIDE
DISMUTASE

(Megavirus
chiliensis) 		PF00080
(Sod_Cu) 		4 ASP A  91
GLU A 105
ASP A 132
GLU A 131
 None
 1.12A 4gkhC-4u4iA:
undetectable
4gkhK-4u4iA:
undetectable		 4gkhC-4u4iA:
21.77
4gkhK-4u4iA:
21.77
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.
4uxv SEPTATION RING
FORMATION REGULATOR
EZRA

(Bacillus
subtilis) 		PF06160
(EzrA) 		4 ASP A  88
ASP A 109
ASN A 102
ASP A  30
 None
 0.98A 4gkhC-4uxvA:
undetectable
4gkhK-4uxvA:
undetectable		 4gkhC-4uxvA:
17.71
4gkhK-4uxvA:
17.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xfd NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Pseudomonas
aeruginosa) 		PF02540
(NAD_synthase) 		4 ASP A  56
ASP A 168
ASP A 242
GLU A 172
 None
 1.06A 4gkhC-4xfdA:
undetectable
4gkhK-4xfdA:
undetectable		 4gkhC-4xfdA:
21.36
4gkhK-4xfdA:
21.36
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.
5b1u METALLO-BETA-LACTAMA
SE

(Serratia
marcescens) 		PF00753
(Lactamase_B) 		4 ASP A  76
ASP A 174
GLU A 217
ASP A  41
 ZN  A 302 ( 2.5A)
None
HIW  A 321 ( 4.6A)
None
 1.14A 4gkhC-5b1uA:
undetectable
4gkhK-5b1uA:
undetectable		 4gkhC-5b1uA:
21.36
4gkhK-5b1uA:
21.36
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.
5bwd BENZYLSUCCINATE
SYNTHASE ALPHA CHAIN

(Thauera
aromatica) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		4 ASP A 594
ASN A 478
GLU A 484
GLU A 598
 None
PGE  A 906 ( 4.9A)
None
None
 1.12A 4gkhC-5bwdA:
undetectable
4gkhK-5bwdA:
undetectable		 4gkhC-5bwdA:
15.08
4gkhK-5bwdA:
15.08
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.
5d8w ENDOGLUCANASE

(Ganoderma
lucidum) 		PF00150
(Cellulase) 		4 ASP A 233
ASP A 118
ASN A 163
ASP A  33
 None
 1.14A 4gkhC-5d8wA:
undetectable
4gkhK-5d8wA:
undetectable		 4gkhC-5d8wA:
21.29
4gkhK-5d8wA:
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.
5dl5 MEMBRANE PROTEIN

(Acinetobacter
baumannii) 		PF03573
(OprD) 		4 ASP A 155
ASP A 296
ASP A 310
GLU A 130
 None
 0.86A 4gkhC-5dl5A:
undetectable
4gkhK-5dl5A:
undetectable		 4gkhC-5dl5A:
21.08
4gkhK-5dl5A:
21.08
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.
5dzv PROTEIN PCDHA7

(Mus musculus) 		PF00028
(Cadherin)
PF08266
(Cadherin_2) 		4 ASP A 172
ASP A 295
GLU A 115
ASP A 239
 CA  A 606 (-2.7A)
CA  A 605 (-3.6A)
CA  A 604 ( 2.6A)
CA  A 605 (-2.6A)
 1.14A 4gkhC-5dzvA:
undetectable
4gkhK-5dzvA:
undetectable		 4gkhC-5dzvA:
20.15
4gkhK-5dzvA:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gje LOW-DENSITY
LIPOPROTEIN
RECEPTOR-RELATED
PROTEIN 6

(Homo sapiens) 		PF00058
(Ldl_recept_b)
PF14670
(FXa_inhibition) 		4 ASP A 406
ASP A 402
GLU A 428
ASP A 360
 None
 1.01A 4gkhC-5gjeA:
undetectable
4gkhK-5gjeA:
undetectable		 4gkhC-5gjeA:
19.70
4gkhK-5gjeA:
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.
5gkq ALYGC MUTANT - R241A

(Paraglaciecola
chathamensis) 		PF14592
(Chondroitinas_B) 		4 ASP A 113
ASP A 574
ASP A 434
GLU A 432
 None
 1.07A 4gkhC-5gkqA:
undetectable
4gkhK-5gkqA:
undetectable		 4gkhC-5gkqA:
17.80
4gkhK-5gkqA:
17.80
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.
5ic5 CANDIDATE RESPONSE
REGULATOR, CHEY

(Ramlibacter
tataouinensis) 		PF00072
(Response_reg) 		4 ASP A  64
GLU A  99
ASP A  11
GLU A   9
 MG  A 204 (-2.8A)
None
None
MG  A 204 ( 4.2A)
 0.93A 4gkhC-5ic5A:
undetectable
4gkhK-5ic5A:
undetectable		 4gkhC-5ic5A:
19.85
4gkhK-5ic5A:
19.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5in8 ARISTOLOCHENE
SYNTHASE

(Aspergillus
terreus) 		no annotation 4 ASP A  85
ASP A 172
GLU A  88
ASP A 214
 None
MG  A 402 ( 4.1A)
None
None
 1.07A 4gkhC-5in8A:
undetectable
4gkhK-5in8A:
undetectable		 4gkhC-5in8A:
20.66
4gkhK-5in8A:
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.
5iqk BETA-LACTAMASE RM3

(uncultured
bacterium) 		PF00753
(Lactamase_B) 		4 ASP A 112
ASP A 210
GLU A 256
ASP A  77
 ZN  A 402 (-2.4A)
None
None
None
 1.15A 4gkhC-5iqkA:
undetectable
4gkhK-5iqkA:
undetectable		 4gkhC-5iqkA:
20.98
4gkhK-5iqkA:
20.98
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.
5iry DESMOCOLLIN-1

(Homo sapiens) 		PF00028
(Cadherin) 		4 ASP A 348
ASP A 516
ASP A 465
GLU A 402
 CA  A 609 ( 3.1A)
CA  A 611 (-3.0A)
CA  A 610 ( 3.8A)
CA  A 609 ( 2.1A)
 0.95A 4gkhC-5iryA:
undetectable
4gkhK-5iryA:
undetectable		 4gkhC-5iryA:
19.60
4gkhK-5iryA:
19.60
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.
5iva LPS-ASSEMBLY PROTEIN
LPTD

(Pseudomonas
aeruginosa) 		PF04453
(OstA_C) 		4 ASP A 206
ASP A 257
ASP A 238
ASP A 122
 C8E  A 703 ( 4.1A)
None
None
None
 1.05A 4gkhC-5ivaA:
undetectable
4gkhK-5ivaA:
undetectable		 4gkhC-5ivaA:
18.32
4gkhK-5ivaA:
18.32
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.
5jwb TYPE II
NADH:UBIQUINONE
OXIDOREDUCTASE

(Plasmodium
falciparum) 		PF07992
(Pyr_redox_2) 		4 ASP A 336
ASP A 426
GLU A 337
GLU A 365
 None
 1.12A 4gkhC-5jwbA:
undetectable
4gkhK-5jwbA:
undetectable		 4gkhC-5jwbA:
19.13
4gkhK-5jwbA:
19.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v5x MCG133388, ISOFORM
CRA_Y

(Mus musculus) 		no annotation 4 ASP A 489
ASP A 616
ASN A 526
GLU A 431
 CA  A 707 (-3.1A)
CA  A 709 (-3.5A)
CA  A 707 (-4.2A)
CA  A 708 ( 2.8A)
 1.12A 4gkhC-5v5xA:
undetectable
4gkhK-5v5xA:
undetectable		 4gkhC-5v5xA:
19.95
4gkhK-5v5xA:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wjm CADHERIN-23

(Mus musculus) 		no annotation 4 ASP A1787
ASN A1824
GLU A1733
ASP A1825
 CA  A2002 (-3.0A)
CA  A2003 (-4.8A)
CA  A2002 ( 2.9A)
None
 1.11A 4gkhC-5wjmA:
undetectable
4gkhK-5wjmA:
undetectable		 4gkhC-5wjmA:
15.02
4gkhK-5wjmA:
15.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xgj PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT ALPHA
ISOFORM

(Homo sapiens) 		no annotation 4 ASP A 746
ASP A  91
GLU A  39
GLU A 707
 None
 0.94A 4gkhC-5xgjA:
undetectable
4gkhK-5xgjA:
1.6		 4gkhC-5xgjA:
15.44
4gkhK-5xgjA:
15.44
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.
5zal ENDORIBONUCLEASE
DICER

(Homo sapiens) 		no annotation 4 ASP A1810
ASN A1742
ASP A1709
GLU A1705
 None
 0.95A 4gkhC-5zalA:
undetectable
4gkhK-5zalA:
undetectable		 4gkhC-5zalA:
13.33
4gkhK-5zalA:
13.33
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.
6c8q NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Enterococcus
faecalis) 		no annotation 4 ASP A  53
ASP A 162
ASP A 236
GLU A 166
 None
 1.13A 4gkhC-6c8qA:
undetectable
4gkhK-6c8qA:
undetectable		 4gkhC-6c8qA:
15.27
4gkhK-6c8qA:
15.27
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.
6fyv DUAL SPECIFICITY
PROTEIN KINASE CLK4

(Homo sapiens) 		no annotation 4 ASP A 165
ASP A 300
GLU A 177
GLU A 254
 None
 1.15A 4gkhC-6fyvA:
8.6
4gkhK-6fyvA:
8.6		 4gkhC-6fyvA:
undetectable
4gkhK-6fyvA:
undetectable