SIMILAR PATTERNS OF AMINO ACIDS FOR 4GKH_D_KAND301_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cvm PHYTASE

(Bacillus
amyloliquefaciens) 		PF02333
(Phytase) 		4 ASP A  52
ASN A  99
GLU A 157
ASP A 314
 CD  A 814 (-3.9A)
CD  A 813 ( 4.1A)
None
CD  A 814 (-2.6A)
 1.20A 4gkhD-1cvmA:
undetectable		 4gkhD-1cvmA:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.17A 4gkhD-1iv8A:
0.0		 4gkhD-1iv8A:
16.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j5s URONATE ISOMERASE

(Thermotoga
maritima) 		PF02614
(UxaC) 		4 ASP A 370
ASP A  55
ASN A  95
GLU A  99
 None
 1.08A 4gkhD-1j5sA:
0.0		 4gkhD-1j5sA:
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.
1jqg CARBOXYPEPTIDASE A

(Helicoverpa
armigera) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		4 ASP A  36
CYH A  70
GLU A  72
ASP A 123
 None
None
ZN  A 413 (-2.4A)
None
 0.98A 4gkhD-1jqgA:
0.0		 4gkhD-1jqgA:
21.84
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)
 0.57A 4gkhD-1l8tA:
19.6		 4gkhD-1l8tA:
31.71
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) 		6 ASP A 157
ASP A 159
ASP A 190
GLU A 230
ASP A 261
GLU A 262
 KAN  A1300 (-3.7A)
KAN  A1300 (-3.2A)
KAN  A1300 ( 2.8A)
KAN  A1300 (-4.1A)
KAN  A1300 (-3.8A)
KAN  A1300 (-3.1A)
 0.75A 4gkhD-1nd4A:
31.4		 4gkhD-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
 1.14A 4gkhD-1nnhA:
0.9		 4gkhD-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.
1pu7 3-METHYLADENINE DNA
GLYCOSYLASE

(Helicobacter
pylori) 		PF00633
(HHH)
PF00730
(HhH-GPD) 		4 ASP A 135
ASP A 166
GLU A 121
GLU A 175
 None
 1.15A 4gkhD-1pu7A:
undetectable		 4gkhD-1pu7A:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r6b CLPA PROTEIN

(Escherichia
coli) 		PF00004
(AAA)
PF02861
(Clp_N)
PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		4 ASP X 285
ASP X 396
GLU X 225
GLU X 286
 MG  X 782 (-3.7A)
ADP  X 780 (-4.1A)
None
MG  X 782 ( 4.4A)
 0.91A 4gkhD-1r6bX:
undetectable		 4gkhD-1r6bX:
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.
1sig RNA POLYMERASE
PRIMARY SIGMA FACTOR

(Escherichia
coli) 		PF04542
(Sigma70_r2)
PF04546
(Sigma70_ner) 		4 ASP A 173
CYH A 132
ASP A 125
GLU A 124
 None
 1.03A 4gkhD-1sigA:
undetectable		 4gkhD-1sigA:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t1e KUMAMOLISIN

(Bacillus sp.
MN-32) 		PF00082
(Peptidase_S8)
PF09286
(Pro-kuma_activ) 		4 ASP A 457
ASN A 255
ASP A 227
GLU A 228
 None
 1.10A 4gkhD-1t1eA:
undetectable		 4gkhD-1t1eA:
19.77
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.
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 4gkhD-1ux6A:
0.6		 4gkhD-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.
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 4gkhD-1wxfA:
undetectable		 4gkhD-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.
2dbn HYPOTHETICAL PROTEIN
YBIU

(Escherichia
coli) 		PF07350
(DUF1479) 		4 ASP A 116
ASN A 113
GLU A 397
ASP A 111
 None
 1.12A 4gkhD-2dbnA:
undetectable		 4gkhD-2dbnA:
19.14
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.
2f6d GLUCOAMYLASE GLU1

(Saccharomycopsis
fibuligera) 		PF00723
(Glyco_hydro_15) 		4 ASP A 349
ASP A 207
GLU A 456
ASP A 288
 None
None
ACR  A 995 ( 4.6A)
None
 1.05A 4gkhD-2f6dA:
undetectable		 4gkhD-2f6dA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.08A 4gkhD-2i2xA:
undetectable		 4gkhD-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.
2k0z UNCHARACTERIZED
PROTEIN HP1203

(Helicobacter
pylori) 		PF00581
(Rhodanese) 		4 ASP A  43
ASN A  42
GLU A  24
GLU A  45
 None
 0.91A 4gkhD-2k0zA:
undetectable		 4gkhD-2k0zA:
15.75
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.
2o3b NUCLEASE
SUGAR-NON-SPECIFIC
NUCLEASE INHIBITOR

(Nostoc sp. PCC
7120) 		PF01223
(Endonuclease_NS)
PF07924
(NuiA) 		4 ASP A 153
ASN A 157
GLU B 111
GLU A 233
 None
 1.08A 4gkhD-2o3bA:
undetectable		 4gkhD-2o3bA:
23.47
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.
2pd0 HYPOTHETICAL PROTEIN

(Cryptosporidium
parvum) 		PF11539
(DUF3228) 		4 ASP A 137
CYH A 133
GLU A  89
GLU A 127
 None
None
None
MES  A 502 (-3.1A)
 1.07A 4gkhD-2pd0A:
undetectable		 4gkhD-2pd0A:
23.27
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.
2ptz ENOLASE

(Trypanosoma
brucei) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		4 ASP A 318
ASN A 345
GLU A  48
GLU A 375
 ZN  A 500 ( 3.0A)
None
None
None
 1.19A 4gkhD-2ptzA:
undetectable		 4gkhD-2ptzA:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4gkhD-2pz8A:
undetectable		 4gkhD-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.
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)
 1.20A 4gkhD-2rhpA:
undetectable		 4gkhD-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
 0.92A 4gkhD-2vn7A:
undetectable		 4gkhD-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
 1.03A 4gkhD-2wbaA:
undetectable		 4gkhD-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.
2x8k HYPOTHETICAL PROTEIN
19.1

(Bacillus phage
SPP1) 		PF05709
(Sipho_tail) 		4 ASP A 133
ASN A 161
CYH A 205
GLU A 207
 None
 0.95A 4gkhD-2x8kA:
undetectable		 4gkhD-2x8kA:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xhe UNC18

(Monosiga
brevicollis) 		PF00995
(Sec1) 		4 ASP A  56
ASP A  30
ASP A  86
ASN A  79
 None
 0.97A 4gkhD-2xheA:
undetectable		 4gkhD-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.
2yeq ALKALINE PHOSPHATASE
D

(Bacillus
subtilis) 		PF09423
(PhoD)
PF16655
(PhoD_N) 		4 ASP A 289
ASP A 380
GLU A 504
GLU A 223
 None
CA  A1525 ( 3.4A)
EDO  A 540 (-3.7A)
None
 1.20A 4gkhD-2yeqA:
undetectable		 4gkhD-2yeqA:
22.08
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.
2ynk WZI

(Escherichia
coli) 		PF14052
(Caps_assemb_Wzi) 		4 ASP A  30
ASP A  36
ASP A 441
GLU A 396
 None
 1.20A 4gkhD-2ynkA:
undetectable		 4gkhD-2ynkA:
19.73
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.
2z2m PENICILLIN-BINDING
PROTEIN 2X

(Streptococcus
pneumoniae) 		PF03717
(PBP_dimer) 		4 ASP A 208
ASN A 206
GLU A 205
ASP A 231
 None
 1.15A 4gkhD-2z2mA:
undetectable		 4gkhD-2z2mA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z5l TYLACTONE SYNTHASE
STARTER MODULE AND
MODULES 1 & 2

(Streptomyces
fradiae) 		PF08659
(KR) 		4 ASP A 326
ASN A 377
GLU A 154
GLU A 423
 None
 1.06A 4gkhD-2z5lA:
undetectable		 4gkhD-2z5lA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zuy YESX PROTEIN

(Bacillus
subtilis) 		PF01839
(FG-GAP) 		4 ASP A 125
ASP A 191
GLU A 241
ASP A 189
 CA  A 623 (-3.2A)
CA  A 624 (-2.9A)
None
CA  A 624 (-3.2A)
 1.16A 4gkhD-2zuyA:
undetectable		 4gkhD-2zuyA:
18.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a5v ALPHA-GALACTOSIDASE

(Umbelopsis
vinacea) 		PF16499
(Melibiase_2) 		4 ASP A 129
ASP A  51
ASP A 238
ASN A  14
 TRS  A 841 (-4.0A)
TRS  A 841 (-3.3A)
None
None
 1.20A 4gkhD-3a5vA:
undetectable		 4gkhD-3a5vA:
21.60
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.
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)
 1.19A 4gkhD-3cc1A:
undetectable		 4gkhD-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.
3cyj MANDELATE
RACEMASE/MUCONATE
LACTONIZING
ENZYME-LIKE PROTEIN

(Rubrobacter
xylanophilus) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ASP A 319
ASP A 192
CYH A 296
GLU A  22
 None
NA  A 371 (-2.5A)
GOL  A 372 ( 4.3A)
None
 1.20A 4gkhD-3cyjA:
undetectable		 4gkhD-3cyjA:
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.
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 4gkhD-3egwA:
undetectable		 4gkhD-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.
3eqa GLUCOAMYLASE

(Aspergillus
niger) 		PF00723
(Glyco_hydro_15) 		4 ASP A 333
ASP A 200
GLU A 424
ASP A 269
 None
 0.98A 4gkhD-3eqaA:
undetectable		 4gkhD-3eqaA:
19.07
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.
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
 1.15A 4gkhD-3g1nA:
undetectable		 4gkhD-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
 0.89A 4gkhD-3h4xA:
undetectable		 4gkhD-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.
3h4x PHOSPHATIDYLINOSITOL
-SPECIFIC
PHOSPHOLIPASE C1

(Streptomyces
antibioticus) 		PF16670
(PI-PLC-C1) 		4 ASP A  62
ASP A 287
GLU A  41
GLU A 129
 None
EOH  A 348 ( 4.5A)
None
None
 0.97A 4gkhD-3h4xA:
undetectable		 4gkhD-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.
3h7k AGMATINE DEIMINASE

(Arabidopsis
thaliana) 		PF04371
(PAD_porph) 		4 ASP A  94
CYH A 180
GLU A 179
ASP A 226
 AGT  A 366 ( 3.0A)
None
None
AGT  A 366 ( 2.2A)
 0.90A 4gkhD-3h7kA:
undetectable		 4gkhD-3h7kA:
21.81
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.
3h7n NUCLEOPORIN NUP120

(Saccharomyces
cerevisiae) 		PF11715
(Nup160) 		4 ASP A   8
ASN A 383
ASP A 388
GLU A 392
 None
 1.09A 4gkhD-3h7nA:
undetectable		 4gkhD-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 4gkhD-3hmqA:
undetectable		 4gkhD-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
 1.19A 4gkhD-3hwcA:
undetectable		 4gkhD-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.
3ibj CGMP-DEPENDENT
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I)
PF01590
(GAF)
PF13185
(GAF_2) 		4 ASP A 356
CYH A 325
GLU A 326
GLU A 354
 None
 0.96A 4gkhD-3ibjA:
undetectable		 4gkhD-3ibjA:
17.70
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.
3ic9 DIHYDROLIPOAMIDE
DEHYDROGENASE

(Colwellia
psychrerythraea) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 ASP A 324
ASN A 312
GLU A 295
ASP A 310
 NA  A 491 (-3.0A)
NA  A 491 (-2.6A)
None
FAD  A 490 (-3.0A)
 1.02A 4gkhD-3ic9A:
undetectable		 4gkhD-3ic9A:
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.
3lda DNA REPAIR PROTEIN
RAD51

(Saccharomyces
cerevisiae) 		PF08423
(Rad51)
PF14520
(HHH_5) 		4 ASP A 394
ASN A 166
CYH A 383
ASP A 168
 None
 1.18A 4gkhD-3ldaA:
undetectable		 4gkhD-3ldaA:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m4x NOL1/NOP2/SUN FAMILY
PROTEIN

(Enterococcus
faecium) 		PF01189
(Methyltr_RsmB-F)
PF13636
(Methyltranf_PUA)
PF17125
(Methyltr_RsmF_N)
PF17126
(RsmF_methylt_CI) 		4 ASN A 136
CYH A 113
GLU A 137
GLU A 167
 None
 1.06A 4gkhD-3m4xA:
0.9		 4gkhD-3m4xA:
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.
3no3 GLYCEROPHOSPHODIESTE
R PHOSPHODIESTERASE

(Parabacteroides
distasonis) 		PF03009
(GDPD) 		4 ASP A  61
ASP A 244
ASN A  42
GLU A 123
 MG  A 301 (-2.5A)
None
None
MG  A 301 ( 2.8A)
 1.20A 4gkhD-3no3A:
undetectable		 4gkhD-3no3A:
21.79
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.
3nqx SECRETED
METALLOPROTEASE
MCP02

(Pseudoalteromonas
sp. SM9913) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		4 ASP A 411
ASN A 435
GLU A 377
GLU A 369
 None
None
CA  A 511 (-2.7A)
ZN  A   1 (-2.3A)
 1.18A 4gkhD-3nqxA:
undetectable		 4gkhD-3nqxA:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4gkhD-3p8tA:
0.7		 4gkhD-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)
 1.12A 4gkhD-3s83A:
undetectable		 4gkhD-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.
3t0p DNA POLYMERASE III,
BETA SUBUNIT

([Eubacterium]
rectale) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		4 ASP A 352
ASP A 311
ASN A 337
GLU A 335
 None
 0.79A 4gkhD-3t0pA:
undetectable		 4gkhD-3t0pA:
22.08
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.
3va8 PROBABLE DEHYDRATASE

(Fusarium
graminearum) 		PF13378
(MR_MLE_C) 		4 ASP A 346
ASP A 246
GLU A 242
ASP A 220
 None
None
None
MG  A 425 ( 2.4A)
 1.15A 4gkhD-3va8A:
undetectable		 4gkhD-3va8A:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vv3 DESEASIN MCP-01

(Pseudoalteromonas
sp. SM9913) 		PF00082
(Peptidase_S8) 		4 ASP A 303
ASN A  16
GLU A  17
ASP A 231
 None
 1.16A 4gkhD-3vv3A:
undetectable		 4gkhD-3vv3A:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wgc L-ALLO-THREONINE
ALDOLASE

(Aeromonas
jandaei) 		PF01212
(Beta_elim_lyase) 		4 ASP A 168
ASP A   9
CYH A 196
GLU A 138
 PLG  A 401 (-2.9A)
None
PLG  A 401 ( 4.2A)
PLG  A 401 ( 4.0A)
 1.13A 4gkhD-3wgcA:
undetectable		 4gkhD-3wgcA:
23.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.94A 4gkhD-3wjoA:
undetectable		 4gkhD-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)
 1.15A 4gkhD-4a01A:
undetectable		 4gkhD-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)
 0.86A 4gkhD-4a01A:
undetectable		 4gkhD-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.
4bx9 VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 33A

(Homo sapiens) 		PF00995
(Sec1) 		4 ASP A 372
ASN A 390
GLU A 379
ASP A 395
 None
 1.15A 4gkhD-4bx9A:
undetectable		 4gkhD-4bx9A:
18.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dhg MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Thermobispora
bispora) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ASP A 343
ASP A 243
GLU A 239
ASP A 217
 None
 1.13A 4gkhD-4dhgA:
undetectable		 4gkhD-4dhgA:
19.02
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.
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
 1.13A 4gkhD-4f7kA:
undetectable		 4gkhD-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.
4gp1 POLYPRENYL
SYNTHETASE

(Pyrobaculum
calidifontis) 		PF00348
(polyprenyl_synt) 		4 ASP A 226
GLU A 148
ASP A 244
GLU A 247
 None
 1.02A 4gkhD-4gp1A:
undetectable		 4gkhD-4gp1A:
22.85
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.
4gw9 BACTERIOPHYTOCHROME

(Rhodopseudomonas
palustris) 		PF00360
(PHY)
PF00989
(PAS)
PF01590
(GAF)
PF08446
(PAS_2) 		4 ASP A 458
ASN A  19
CYH A  20
GLU A  23
 None
None
BLA  A 900 (-1.6A)
None
 1.00A 4gkhD-4gw9A:
undetectable		 4gkhD-4gw9A:
19.02
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
 0.47A 4gkhD-4h05A:
29.6		 4gkhD-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.
4h1s 5'-NUCLEOTIDASE

(Homo sapiens) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		4 ASP A  47
ASN A 410
GLU A 409
ASP A 399
 None
 1.18A 4gkhD-4h1sA:
undetectable		 4gkhD-4h1sA:
20.31
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.
4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE

(Paenibacillus
macerans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		4 ASP A  59
ASP A  53
ASN A  32
ASP A 117
 EDO  A 726 ( 4.9A)
CA  A 701 (-3.3A)
CA  A 701 (-3.2A)
GOL  A 717 (-2.9A)
 1.19A 4gkhD-4jclA:
undetectable		 4gkhD-4jclA:
16.50
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.
4jlw GLUTATHIONE-INDEPEND
ENT FORMALDEHYDE
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 ASP A 355
ASP A 164
GLU A 160
ASP A 361
 None
 1.15A 4gkhD-4jlwA:
undetectable		 4gkhD-4jlwA:
21.33
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.
4jxy TRANS-HEXAPRENYLTRAN
STRANSFERASE

(Pseudoalteromonas
atlantica) 		PF00348
(polyprenyl_synt) 		4 ASP A 212
GLU A 146
ASP A 230
GLU A 233
 None
 1.12A 4gkhD-4jxyA:
undetectable		 4gkhD-4jxyA:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kc5 RHIE PROTEIN

(Paraburkholderia
rhizoxinica) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 ASP A3183
ASP A3225
ASN A3256
GLU A3143
 None
 1.14A 4gkhD-4kc5A:
undetectable		 4gkhD-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.
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
 1.13A 4gkhD-4nzjA:
undetectable		 4gkhD-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.
4qlz SJCHGC07024 PROTEIN

(Schistosoma
japonicum) 		PF00719
(Pyrophosphatase) 		4 ASP A 118
GLU A  60
ASP A 113
GLU A 148
 CO  A 401 (-2.5A)
None
CO  A 401 ( 2.8A)
None
 1.16A 4gkhD-4qlzA:
undetectable		 4gkhD-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.
4uxv SEPTATION RING
FORMATION REGULATOR
EZRA

(Bacillus
subtilis) 		PF06160
(EzrA) 		4 ASP A  88
ASP A 109
ASN A 102
ASP A  30
 None
 0.90A 4gkhD-4uxvA:
undetectable		 4gkhD-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
 1.05A 4gkhD-4xfdA:
undetectable		 4gkhD-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.
4xhz PROTOCADHERIN-15

(Homo sapiens) 		PF00028
(Cadherin) 		4 ASP A 897
ASP A 931
GLU A 992
GLU A 862
 CA  A2002 (-3.0A)
CA  A2001 (-2.2A)
None
CA  A2002 ( 2.4A)
 1.19A 4gkhD-4xhzA:
undetectable		 4gkhD-4xhzA:
21.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zps MCG133388, ISOFORM
CRA_M

(Mus musculus) 		PF00028
(Cadherin)
PF08266
(Cadherin_2) 		4 ASP A 208
GLU A 176
ASP A 205
GLU A 242
 CA  A 806 ( 2.8A)
None
CA  A 804 (-2.7A)
None
 1.19A 4gkhD-4zpsA:
undetectable		 4gkhD-4zpsA:
23.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.19A 4gkhD-5a55A:
undetectable		 4gkhD-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
 1.15A 4gkhD-5b1uA:
undetectable		 4gkhD-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.
5dzv PROTEIN PCDHA7

(Mus musculus) 		PF00028
(Cadherin)
PF08266
(Cadherin_2) 		4 ASP A 454
ASP A 333
ASN A 420
GLU A 457
 CA  A 612 (-3.0A)
None
CA  A 612 (-3.5A)
None
 1.15A 4gkhD-5dzvA:
undetectable		 4gkhD-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.
5dzv PROTEIN PCDHA7

(Mus musculus) 		PF00028
(Cadherin)
PF08266
(Cadherin_2) 		4 ASP A 454
ASP A 333
GLU A 457
GLU A 387
 CA  A 612 (-3.0A)
None
None
CA  A 611 ( 2.8A)
 1.14A 4gkhD-5dzvA:
undetectable		 4gkhD-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.
5exe OXALATE
OXIDOREDUCTASE
SUBUNIT BETA
OXALATE
OXIDOREDUCTASE
SUBUNIT DELTA

(Moorella
thermoacetica) 		PF00037
(Fer4)
PF01558
(POR)
PF02775
(TPP_enzyme_C) 		4 ASP B  57
ASN C 143
CYH C  52
GLU B 154
 None
5SR  C 402 (-4.4A)
SF4  C 401 ( 2.3A)
None
 1.16A 4gkhD-5exeB:
undetectable		 4gkhD-5exeB:
22.82
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.
5fbb NUCLEASE S1

(Aspergillus
oryzae) 		PF02265
(S1-P1_nuclease) 		4 ASP A 139
ASN A  23
GLU A 177
ASP A  65
 ZN  A 402 (-2.5A)
BTB  A1002 (-3.8A)
BTB  A1002 (-2.8A)
PO4  A 601 ( 2.7A)
 1.09A 4gkhD-5fbbA:
undetectable		 4gkhD-5fbbA:
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.
5fqe BETA-N-ACETYLGALACTO
SAMINIDASE

(Clostridium
perfringens) 		PF13320
(DUF4091) 		4 ASP A 404
ASN A 452
GLU A 415
GLU A 531
 None
 1.14A 4gkhD-5fqeA:
undetectable		 4gkhD-5fqeA:
16.50
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.
5h9d FARNESYL
PYROPHOSPHATE
SYNTHETASE

(Staphylococcus
aureus) 		PF00348
(polyprenyl_synt) 		4 ASP A  86
ASP A 210
GLU A 144
ASP A 228
 None
 1.19A 4gkhD-5h9dA:
undetectable		 4gkhD-5h9dA:
23.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.09A 4gkhD-5ic5A:
undetectable		 4gkhD-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
 1.09A 4gkhD-5iqkA:
undetectable		 4gkhD-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)
 0.98A 4gkhD-5iryA:
undetectable		 4gkhD-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.
5kzn METABOTROPIC
GLUTAMATE RECEPTOR 2

(Homo sapiens) 		PF01094
(ANF_receptor)
PF07562
(NCD3G) 		4 ASP A 188
GLU A 375
ASP A 295
GLU A 318
 None
 1.20A 4gkhD-5kznA:
undetectable		 4gkhD-5kznA:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ldt MOMP PORIN

(Campylobacter
jejuni) 		PF05538
(Campylo_MOMP) 		4 ASP A  21
ASP A 155
ASN A  36
GLU A 300
 None
CA  A 501 (-3.3A)
None
None
 1.14A 4gkhD-5ldtA:
undetectable		 4gkhD-5ldtA:
21.85
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.
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
 1.14A 4gkhD-5ucmA:
2.3		 4gkhD-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.
5vis DIHYDROPTEROATE
SYNTHASE

(soil metagenome) 		PF00809
(Pterin_bind) 		4 ASP A 106
ASP A  86
ASP A 136
GLU A  63
 None
 1.17A 4gkhD-5visA:
undetectable		 4gkhD-5visA:
20.39
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.
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)
 1.18A 4gkhD-5wzrA:
undetectable		 4gkhD-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.
5zal ENDORIBONUCLEASE
DICER

(Homo sapiens) 		no annotation 4 ASP A1810
ASN A1742
ASP A1709
GLU A1705
 None
 0.97A 4gkhD-5zalA:
undetectable		 4gkhD-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 4gkhD-6c8qA:
undetectable		 4gkhD-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)
 1.16A 4gkhD-6ceyA:
18.2		 4gkhD-6ceyA:
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.
6fhv GLUCOAMYLASE

(Penicillium
oxalicum) 		no annotation 4 ASP A 345
ASP A 210
GLU A 436
ASP A 281
 None
None
B3P  A 652 ( 4.6A)
None
 0.96A 4gkhD-6fhvA:
undetectable		 4gkhD-6fhvA:
12.87
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.
6fhw GLUCOAMYLASE P

(Amorphotheca
resinae) 		no annotation 4 ASP A 339
ASP A 205
GLU A 432
ASP A 275
 None
None
ACR  A 801 (-4.4A)
None
 1.06A 4gkhD-6fhwA:
undetectable		 4gkhD-6fhwA:
15.04
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.
6frv GLUCOAMYLASE

(Aspergillus
niger) 		no annotation 4 ASP A 333
ASP A 200
GLU A 424
ASP A 269
 None
 1.05A 4gkhD-6frvA:
undetectable		 4gkhD-6frvA:
17.58