SIMILAR PATTERNS OF AMINO ACIDS FOR 4GKH_G_KANG301

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.
1fep FERRIC ENTEROBACTIN
RECEPTOR

(Escherichia
coli) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 ASN A  95
GLU A  80
ASP A 344
GLU A 310
 None
 1.20A 4gkhG-1fepA:
0.6		 4gkhG-1fepA:
16.86
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.
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 4gkhG-1iv8A:
undetectable		 4gkhG-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)
 0.93A 4gkhG-1l8tA:
27.0		 4gkhG-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.
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)
 0.97A 4gkhG-1ms8A:
undetectable		 4gkhG-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)
 0.28A 4gkhG-1nd4A:
30.6		 4gkhG-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)
 0.85A 4gkhG-1nd4A:
30.6		 4gkhG-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.
1nlu SEDOLISIN

(Pseudomonas sp.) 		no annotation 4 ASP A 151
ASP A 261
ASN A 197
GLU A 241
 None
 1.23A 4gkhG-1nluA:
undetectable		 4gkhG-1nluA:
23.39
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.
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
 1.14A 4gkhG-1nnhA:
undetectable		 4gkhG-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
 1.11A 4gkhG-1nsvA:
0.0		 4gkhG-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.
1ux6 THROMBOSPONDIN-1

(Homo sapiens) 		PF02412
(TSP_3)
PF05735
(TSP_C) 		4 ASP A 874
ASP A 870
ASP A 890
ASN A 882
 None
CA  A2007 ( 2.8A)
CA  A2005 ( 2.2A)
CA  A2006 (-2.8A)
 1.19A 4gkhG-1ux6A:
undetectable		 4gkhG-1ux6A:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ux6 THROMBOSPONDIN-1

(Homo sapiens) 		PF02412
(TSP_3)
PF05735
(TSP_C) 		4 ASP A 933
ASP A 868
ASN A 855
ASP A 874
 None
CA  A2007 ( 2.7A)
None
None
 1.17A 4gkhG-1ux6A:
undetectable		 4gkhG-1ux6A:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wao SERINE/THREONINE
PROTEIN PHOSPHATASE
5

(Homo sapiens) 		PF00149
(Metallophos)
PF00515
(TPR_1)
PF08321
(PPP5) 		4 ASP 1 271
ASN 1 303
GLU 1  76
GLU 1 305
 MN  1 601 ( 3.0A)
MN  1 601 (-2.5A)
MN  1 602 ( 4.5A)
None
 1.23A 4gkhG-1wao1:
undetectable		 4gkhG-1wao1:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.14A 4gkhG-1wxfA:
undetectable		 4gkhG-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.
1zwx SPHINGOMYELINASE-C

(Listeria
ivanovii) 		PF03372
(Exo_endo_phos) 		4 ASP A 190
ASN A 231
GLU A 279
GLU A  88
 None
PO4  A 401 ( 4.3A)
None
PO4  A 401 (-3.2A)
 1.20A 4gkhG-1zwxA:
undetectable		 4gkhG-1zwxA:
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.
2b4v RNA EDITING COMPLEX
PROTEIN MP57

(Trypanosoma
brucei) 		PF01909
(NTP_transf_2)
PF03828
(PAP_assoc) 		4 ASP A 421
ASP A  99
ASN A 277
GLU A 424
 None
 1.20A 4gkhG-2b4vA:
undetectable		 4gkhG-2b4vA:
20.17
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.
2bqx INORGANIC
PYROPHOSPHATASE

(Helicobacter
pylori) 		PF00719
(Pyrophosphatase) 		4 ASP A  41
ASP A 101
GLU A 144
GLU A  30
 None
 1.10A 4gkhG-2bqxA:
undetectable		 4gkhG-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.
2ece 462AA LONG
HYPOTHETICAL
SELENIUM-BINDING
PROTEIN

(Sulfurisphaera
tokodaii) 		PF05694
(SBP56) 		4 ASP A 192
ASP A 327
ASN A 270
ASP A 325
 None
 1.18A 4gkhG-2eceA:
undetectable		 4gkhG-2eceA:
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.
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
 1.14A 4gkhG-2i2xA:
undetectable		 4gkhG-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.
2nli LACTATE OXIDASE

(Aerococcus
viridans) 		PF01070
(FMN_dh) 		4 ASP A  24
ASP A  55
ASN A  21
GLU A  27
 None
 1.23A 4gkhG-2nliA:
undetectable		 4gkhG-2nliA:
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.
2o5p FERRIPYOVERDINE
RECEPTOR

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07660
(STN)
PF07715
(Plug) 		4 ASP A 803
ASP A 187
ASP A 203
ASN A 184
 None
PO4  A   3 (-4.0A)
None
PO4  A   3 (-3.4A)
 1.21A 4gkhG-2o5pA:
undetectable		 4gkhG-2o5pA:
15.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o8r POLYPHOSPHATE KINASE

(Porphyromonas
gingivalis) 		PF02503
(PP_kinase)
PF13089
(PP_kinase_N)
PF13090
(PP_kinase_C) 		4 ASP A  35
ASP A 590
ASP A  28
GLU A  25
 None
 1.22A 4gkhG-2o8rA:
undetectable		 4gkhG-2o8rA:
18.81
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.
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)
 1.12A 4gkhG-2pz8A:
undetectable		 4gkhG-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 4gkhG-2qdeA:
undetectable		 4gkhG-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)
 1.12A 4gkhG-2rhpA:
undetectable		 4gkhG-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)
 1.16A 4gkhG-2rhpA:
undetectable		 4gkhG-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.
2vn7 GLUCOAMYLASE

(Trichoderma
reesei) 		PF00686
(CBM_20)
PF00723
(Glyco_hydro_15) 		4 ASP A 313
ASP A 176
GLU A 404
ASP A 249
 None
None
BTB  A 620 (-4.0A)
None
 1.21A 4gkhG-2vn7A:
undetectable		 4gkhG-2vn7A:
16.36
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.
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
 1.10A 4gkhG-2wbaA:
undetectable		 4gkhG-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.
2xhe UNC18

(Monosiga
brevicollis) 		PF00995
(Sec1) 		4 ASP A  56
ASP A  30
ASP A  86
ASN A  79
 None
 0.90A 4gkhG-2xheA:
undetectable		 4gkhG-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.
2xry DEOXYRIBODIPYRIMIDIN
E PHOTOLYASE

(Methanosarcina
mazei) 		PF00875
(DNA_photolyase) 		4 ASP A  28
ASP A 142
ASP A 412
ASN A 145
 None
None
FAD  A1463 ( 4.2A)
None
 1.21A 4gkhG-2xryA:
undetectable		 4gkhG-2xryA:
19.67
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.
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)
 1.16A 4gkhG-3aqcB:
undetectable		 4gkhG-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.
3cc1 PUTATIVE
ALPHA-N-ACETYLGALACT
OSAMINIDASE

(Bacillus
halodurans) 		PF16499
(Melibiase_2) 		4 ASP A 285
ASP A  19
ASP A 183
ASP A  52
 None
None
IMD  A 437 ( 3.8A)
IMD  A 437 (-3.3A)
 1.22A 4gkhG-3cc1A:
undetectable		 4gkhG-3cc1A:
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.
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
 1.12A 4gkhG-3egwA:
undetectable		 4gkhG-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
 1.16A 4gkhG-3emjA:
undetectable		 4gkhG-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)
 1.10A 4gkhG-3fbyA:
undetectable		 4gkhG-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.
3g01 GRANZYME C

(Mus musculus) 		PF00089
(Trypsin) 		4 ASP A 105
ASN A 108
ASP A 109
GLU A 187
 None
 1.11A 4gkhG-3g01A:
undetectable		 4gkhG-3g01A:
21.28
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.
3g1n E3 UBIQUITIN-PROTEIN
LIGASE HUWE1

(Homo sapiens) 		PF00632
(HECT) 		4 ASP A4087
GLU A4248
ASP A4145
GLU A4149
 NA  A5001 (-3.4A)
None
None
None
 1.18A 4gkhG-3g1nA:
undetectable		 4gkhG-3g1nA:
21.61
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.
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
 0.86A 4gkhG-3h4xA:
undetectable		 4gkhG-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
 1.10A 4gkhG-3h7nA:
undetectable		 4gkhG-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.
3hje 704AA LONG
HYPOTHETICAL
GLYCOSYLTRANSFERASE

(Sulfurisphaera
tokodaii) 		PF00128
(Alpha-amylase)
PF09196
(DUF1953) 		4 ASP A 222
ASP A 593
ASP A 441
GLU A 249
 GOL  A 802 (-2.8A)
GOL  A 803 (-3.0A)
GOL  A 802 ( 3.7A)
GOL  A 804 (-3.8A)
 1.17A 4gkhG-3hjeA:
undetectable		 4gkhG-3hjeA:
17.87
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.
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
 1.09A 4gkhG-3hmqA:
undetectable		 4gkhG-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
 1.14A 4gkhG-3hwcA:
undetectable		 4gkhG-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
 1.15A 4gkhG-3iacA:
undetectable		 4gkhG-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.
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)
 1.13A 4gkhG-3ks5A:
undetectable		 4gkhG-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.
3ll8 SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2B
CATALYTIC SUBUNIT
ALPHA ISOFORM

(Homo sapiens) 		PF00149
(Metallophos) 		4 ASP A 121
ASP A 118
ASN A 150
GLU A 152
 None
ZN  A 505 (-2.7A)
PO4  A 500 ( 2.4A)
None
 1.18A 4gkhG-3ll8A:
undetectable		 4gkhG-3ll8A:
21.01
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.
3o8o 6-PHOSPHOFRUCTOKINAS
E SUBUNIT BETA

(Saccharomyces
cerevisiae) 		PF00365
(PFK) 		4 ASN B 524
GLU B 725
ASP B 355
GLU B 560
 None
 1.17A 4gkhG-3o8oB:
undetectable		 4gkhG-3o8oB:
17.86
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.
3ojy COMPLEMENT COMPONENT
C8 ALPHA CHAIN

(Homo sapiens) 		PF00057
(Ldl_recept_a)
PF00090
(TSP_1)
PF01823
(MACPF) 		4 ASP A  96
GLU A 282
ASP A  88
GLU A  97
 CA  A 555 (-3.2A)
None
None
CA  A 555 (-3.2A)
 1.22A 4gkhG-3ojyA:
undetectable		 4gkhG-3ojyA:
19.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.13A 4gkhG-3p8tA:
1.9		 4gkhG-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.
3p8t ASNS-LIKE
ASPARAGINYL-TRNA
SYNTHETASE RELATED
PROTEIN

(Pyrococcus
abyssi) 		PF00152
(tRNA-synt_2) 		4 ASP A 195
ASP A  52
GLU A 215
ASP A  47
 None
 1.17A 4gkhG-3p8tA:
1.9		 4gkhG-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.
3s83 GGDEF FAMILY PROTEIN

(Caulobacter
vibrioides) 		PF00563
(EAL) 		4 ASP A 469
ASP A 446
ASP A 339
GLU A 503
 None
K  A 549 (-3.4A)
None
K  A 549 ( 4.7A)
 1.15A 4gkhG-3s83A:
undetectable		 4gkhG-3s83A:
24.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sl1 ARGINASE

(Plasmodium
falciparum) 		PF00491
(Arginase) 		4 ASP A 274
ASP A 323
ASP A 220
GLU A 277
 FB6  A 414 (-2.9A)
MN  A 412 (-2.8A)
FB6  A 414 ( 2.6A)
FB6  A 414 ( 4.0A)
 1.22A 4gkhG-3sl1A:
undetectable		 4gkhG-3sl1A:
20.62
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.
3v4y SERINE/THREONINE-PRO
TEIN PHOSPHATASE
PP1-ALPHA CATALYTIC
SUBUNIT

(Homo sapiens) 		PF00149
(Metallophos)
PF16891
(STPPase_N) 		4 ASP A  92
ASP A 194
ASN A 124
GLU A 126
 MN  A 401 ( 2.8A)
GOL  A 405 ( 4.5A)
MN  A 401 (-2.7A)
None
 1.20A 4gkhG-3v4yA:
undetectable		 4gkhG-3v4yA:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v4y SERINE/THREONINE-PRO
TEIN PHOSPHATASE
PP1-ALPHA CATALYTIC
SUBUNIT

(Homo sapiens) 		PF00149
(Metallophos)
PF16891
(STPPase_N) 		4 ASP A  95
ASP A  92
ASN A 124
GLU A 126
 None
MN  A 401 ( 2.8A)
MN  A 401 (-2.7A)
None
 1.19A 4gkhG-3v4yA:
undetectable		 4gkhG-3v4yA:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wiw GLYCOSYL HYDROLASE
FAMILY 88

(Pedobacter
heparinus) 		PF07470
(Glyco_hydro_88) 		4 ASP A  72
ASP A 174
GLU A 369
ASP A 116
 None
EPE  A 501 (-3.9A)
None
EPE  A 501 (-2.8A)
 1.19A 4gkhG-3wiwA:
undetectable		 4gkhG-3wiwA:
21.48
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.
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
 0.95A 4gkhG-3wjoA:
undetectable		 4gkhG-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
 0.94A 4gkhG-3wjoA:
undetectable		 4gkhG-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.
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)
 1.11A 4gkhG-4a01A:
undetectable		 4gkhG-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
 1.11A 4gkhG-4a01A:
undetectable		 4gkhG-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 4gkhG-4a01A:
undetectable		 4gkhG-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 4gkhG-4av6A:
undetectable		 4gkhG-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.
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima) 		PF03030
(H_PPase) 		4 ASP A 465
ASP A 692
GLU A 667
ASP A 228
 PO4  A1727 (-2.2A)
MG  A1731 ( 2.4A)
None
MG  A1729 (-3.6A)
 1.20A 4gkhG-4av6A:
undetectable		 4gkhG-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
 1.09A 4gkhG-4cotA:
undetectable		 4gkhG-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
 1.07A 4gkhG-4dxbA:
undetectable		 4gkhG-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.
4e2o ALPHA-AMYLASE

(Geobacillus
thermoleovorans) 		PF00128
(Alpha-amylase) 		4 ASP A 463
ASN A 437
ASP A 458
GLU A 459
 None
 1.20A 4gkhG-4e2oA:
2.0		 4gkhG-4e2oA:
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
 1.17A 4gkhG-4ecpA:
undetectable		 4gkhG-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.
4f7k LACCASE

(uncultured
bacterium) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 ASP A 150
ASP A 152
ASN A 289
ASP A 260
 None
 1.20A 4gkhG-4f7kA:
undetectable		 4gkhG-4f7kA:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fl4 CELLULOSOME
ANCHORING PROTEIN
COHESIN REGION
GLYCOSIDE HYDROLASE
FAMILY 9

(Ruminiclostridium
thermocellum) 		PF00404
(Dockerin_1)
PF00963
(Cohesin) 		4 ASP A  35
ASN A  26
GLU C 137
ASP A  27
 CA  A 101 (-2.4A)
CA  A 101 (-2.9A)
None
None
 1.19A 4gkhG-4fl4A:
undetectable		 4gkhG-4fl4A:
16.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gp1 POLYPRENYL
SYNTHETASE

(Pyrobaculum
calidifontis) 		PF00348
(polyprenyl_synt) 		4 ASP A 226
GLU A 148
ASP A 244
GLU A 247
 None
 0.93A 4gkhG-4gp1A:
undetectable		 4gkhG-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
 0.48A 4gkhG-4h05A:
28.6		 4gkhG-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.
4jja HYPOTHETICAL PROTEIN

(Bacteroides
fragilis) 		PF07075
(DUF1343) 		4 ASP A 363
ASP A 323
ASP A 169
ASN A 321
 None
 1.19A 4gkhG-4jjaA:
undetectable		 4gkhG-4jjaA:
21.32
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.
4kc5 RHIE PROTEIN

(Paraburkholderia
rhizoxinica) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 ASP A3183
ASP A3225
ASN A3256
GLU A3143
 None
 1.13A 4gkhG-4kc5A:
undetectable		 4gkhG-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.
4m5p NADPH DEHYDROGENASE

(Scheffersomyces
stipitis) 		PF00724
(Oxidored_FMN) 		4 ASP A 325
GLU A 298
ASP A 335
GLU A 334
 None
 1.21A 4gkhG-4m5pA:
undetectable		 4gkhG-4m5pA:
21.28
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.
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
 1.09A 4gkhG-4ml9A:
undetectable		 4gkhG-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.
4nzj PUTATIVE
ALPHA-GALACTOSIDASE

(Bacteroides
fragilis) 		PF05345
(He_PIG)
PF10632
(He_PIG_assoc)
PF16499
(Melibiase_2) 		4 ASP A 243
ASP A 165
ASP A 340
ASN A 128
 GOL  A 600 (-3.6A)
GOL  A 600 (-3.2A)
None
None
 1.22A 4gkhG-4nzjA:
2.4		 4gkhG-4nzjA:
22.06
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.
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
 1.11A 4gkhG-4oraA:
undetectable		 4gkhG-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.
4ora SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2B
CATALYTIC SUBUNIT
BETA ISOFORM

(Homo sapiens) 		PF00149
(Metallophos) 		4 ASP A 130
ASP A 127
GLU A 490
GLU A 161
 None
ZN  A 601 ( 3.7A)
FE  A 602 (-3.5A)
None
 1.13A 4gkhG-4oraA:
undetectable		 4gkhG-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.
4q16 NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Deinococcus
radiodurans) 		PF02540
(NAD_synthase) 		4 ASP A  59
ASP A 167
ASP A 241
GLU A 171
 SO4  A 301 (-4.2A)
None
None
None
 1.21A 4gkhG-4q16A:
undetectable		 4gkhG-4q16A:
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.
4sli INTRAMOLECULAR
TRANS-SIALIDASE

(Macrobdella
decora) 		PF02973
(Sialidase)
PF13088
(BNR_2) 		4 ASP A 198
ASN A 260
GLU A  83
GLU A 266
 None
 1.18A 4gkhG-4sliA:
undetectable		 4gkhG-4sliA:
18.35
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.
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 4gkhG-4u4iA:
undetectable		 4gkhG-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
 0.99A 4gkhG-4uxvA:
undetectable		 4gkhG-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
 1.09A 4gkhG-4xfdA:
undetectable		 4gkhG-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.
4xkm XYLOSE ISOMERASE

(Bacteroides
thetaiotaomicron) 		no annotation 4 ASP A 311
ASP A 106
ASN A 339
GLU A 234
 MN  A 502 (-2.9A)
None
None
MN  A 501 (-2.5A)
 1.20A 4gkhG-4xkmA:
0.5		 4gkhG-4xkmA:
20.82
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.
4ysl BETA-LACTAMASE
DOMAIN PROTEIN

(Pseudomonas
putida) 		PF00753
(Lactamase_B) 		4 ASP A  78
ASP A  40
GLU A  72
ASP A  14
 GSH  A 302 ( 4.4A)
None
None
None
 1.17A 4gkhG-4yslA:
undetectable		 4gkhG-4yslA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a55 ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Streptococcus
pneumoniae) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		4 ASP A1207
ASP A1013
ASN A1090
ASP A1091
 CA  A2422 (-2.2A)
None
CA  A2422 (-3.2A)
None
 1.20A 4gkhG-5a55A:
undetectable		 4gkhG-5a55A:
12.89
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.
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
 1.12A 4gkhG-5b1uA:
undetectable		 4gkhG-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.
5b8i SERINE/THREONINE-PRO
TEIN PHOSPHATASE

(Coccidioides
immitis) 		PF00149
(Metallophos) 		4 ASP A 139
ASP A 136
ASN A 168
GLU A 170
 None
ZN  A 401 (-2.7A)
MES  A 403 ( 2.4A)
None
 1.19A 4gkhG-5b8iA:
undetectable		 4gkhG-5b8iA:
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.
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
 1.11A 4gkhG-5bwdA:
undetectable		 4gkhG-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.
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)
 0.94A 4gkhG-5ic5A:
undetectable		 4gkhG-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.
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
 1.13A 4gkhG-5iqkA:
undetectable		 4gkhG-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)
 0.94A 4gkhG-5iryA:
undetectable		 4gkhG-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.
5jjt SERINE/THREONINE-PRO
TEIN PHOSPHATASE 5

(Arabidopsis
thaliana) 		PF00149
(Metallophos)
PF00515
(TPR_1)
PF08321
(PPP5)
PF13431
(TPR_17) 		4 ASP A 260
ASP A 257
GLU A  61
GLU A 291
 None
NI  A 501 ( 3.1A)
NI  A 503 (-4.3A)
None
 1.22A 4gkhG-5jjtA:
undetectable		 4gkhG-5jjtA:
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.
5kbw RIBOFLAVIN
TRANSPORTER RIBU

(Thermotoga
maritima) 		PF12822
(ECF_trnsprt) 		4 ASP A  63
ASP A 156
ASN A  80
GLU A  24
 None
None
None
RBF  A 201 (-4.1A)
 1.20A 4gkhG-5kbwA:
undetectable		 4gkhG-5kbwA:
23.62
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.
5o0s GLUCOSYLCERAMIDASE

(Thermoanaerobacterium
xylanolyticum) 		PF04685
(DUF608)
PF12215
(Glyco_hydr_116N)
PF17168
(DUF5127) 		4 ASP A 589
ASP A 579
ASN A 584
ASP A 583
 None
CA  A 910 (-2.8A)
None
CA  A 910 (-3.2A)
 1.22A 4gkhG-5o0sA:
undetectable		 4gkhG-5o0sA:
16.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ucm PROLINE--TRNA LIGASE

(Pseudomonas
aeruginosa) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF04073
(tRNA_edit) 		4 ASP A 356
ASN A 372
ASP A 251
GLU A 250
 None
 1.21A 4gkhG-5ucmA:
3.4		 4gkhG-5ucmA:
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.
5wzr ALPHA-N-ACETYLGALACT
OSAMINIDASE

(Bifidobacterium
bifidum) 		PF11308
(Glyco_hydro_129) 		4 ASP A 561
ASP A 322
ASP A 371
ASP A 330
 DJN  A 702 (-2.9A)
CA  A 703 (-2.1A)
DJN  A 702 (-3.1A)
DJN  A 702 (-2.6A)
 1.21A 4gkhG-5wzrA:
undetectable		 4gkhG-5wzrA:
16.61
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.
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
 0.90A 4gkhG-5xgjA:
5.3		 4gkhG-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.
5z0u NEOPULLULANASE 1

(Thermoactinomyces
vulgaris) 		no annotation 4 ASP A 356
ASP A 516
ASP A 472
GLU A 396
 None
 1.18A 4gkhG-5z0uA:
2.4		 4gkhG-5z0uA:
15.81
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.
5zal ENDORIBONUCLEASE
DICER

(Homo sapiens) 		no annotation 4 ASP A1810
ASN A1742
ASP A1709
GLU A1705
 None
 0.96A 4gkhG-5zalA:
undetectable		 4gkhG-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
 1.15A 4gkhG-6c8qA:
undetectable		 4gkhG-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.
6cey BIFUNCTIONAL AAC/APH

(Staphylococcus
aureus) 		no annotation 4 ASP A 396
ASP A 393
ASP A 213
GLU A 240
 MG  A 702 ( 4.8A)
MG  A 702 (-1.7A)
None
GNP  A 500 ( 4.4A)
 1.15A 4gkhG-6ceyA:
17.8		 4gkhG-6ceyA:
16.61