SIMILAR PATTERNS OF AMINO ACIDS FOR 2J2P_F_SC2F1289

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.
1arl APO-CARBOXYPEPTIDASE
A=ALPHA= (COX)

(Bos taurus) 		PF00246
(Peptidase_M14) 		4 ARG A 124
SER A 197
LEU A 280
GLY A 278
 None
 0.94A 2j2pD-1arlA:
0.0
2j2pF-1arlA:
0.0		 2j2pD-1arlA:
24.04
2j2pF-1arlA:
24.04
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.
1aye PROCARBOXYPEPTIDASE
A2

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		4 ARG A 124
SER A 197
LEU A 280
GLY A 278
 None
 1.02A 2j2pD-1ayeA:
0.1
2j2pF-1ayeA:
0.0		 2j2pD-1ayeA:
19.60
2j2pF-1ayeA:
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.
1cp2 NITROGENASE IRON
PROTEIN

(Clostridium
pasteurianum) 		PF00142
(Fer4_NifH) 		4 ARG A  61
SER A 102
SER A  55
GLY A  86
 None
 1.00A 2j2pD-1cp2A:
0.0
2j2pF-1cp2A:
undetectable		 2j2pD-1cp2A:
22.30
2j2pF-1cp2A:
22.30
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.
1dtd CARBOXYPEPTIDASE A2

(Homo sapiens) 		PF00246
(Peptidase_M14) 		4 ARG A 479
SER A 553
LEU A 636
GLY A 634
 None
 1.01A 2j2pD-1dtdA:
0.0
2j2pF-1dtdA:
0.0		 2j2pD-1dtdA:
19.62
2j2pF-1dtdA:
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.
1ei5 D-AMINOPEPTIDASE

(Ochrobactrum
anthropi) 		PF00144
(Beta-lactamase)
PF07930
(DAP_B) 		4 SER A 152
SER A 108
LEU A 110
GLY A 109
 None
 0.94A 2j2pD-1ei5A:
0.0
2j2pF-1ei5A:
undetectable		 2j2pD-1ei5A:
17.11
2j2pF-1ei5A:
17.11
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.
1kwm PROCARBOXYPEPTIDASE
B

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		4 ARG A 124
SER A 197
LEU A 280
GLY A 278
 None
 0.92A 2j2pD-1kwmA:
undetectable
2j2pF-1kwmA:
0.0		 2j2pD-1kwmA:
19.16
2j2pF-1kwmA:
19.16
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.
1kzh PHOSPHOFRUCTOKINASE

(Borreliella
burgdorferi) 		PF00365
(PFK) 		4 ARG A 146
ASP A 208
SER A 178
GLY A 175
 SO4  A 600 ( 3.6A)
None
SO4  A 601 (-2.4A)
SO4  A 601 (-3.1A)
 0.97A 2j2pD-1kzhA:
undetectable
2j2pF-1kzhA:
undetectable		 2j2pD-1kzhA:
17.65
2j2pF-1kzhA:
17.65
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.
1lwd ISOCITRATE
DEHYDROGENASE

(Sus scrofa) 		PF00180
(Iso_dh) 		4 ARG A 101
ASP A 279
SER A 278
SER A 293
 ICT  A 701 ( 3.0A)
MN  A 501 (-4.0A)
None
None
 0.98A 2j2pD-1lwdA:
undetectable
2j2pF-1lwdA:
0.0		 2j2pD-1lwdA:
19.66
2j2pF-1lwdA:
19.66
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.
1pca PROCARBOXYPEPTIDASE
A PCPA

(Sus scrofa) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		4 ARG A 124
SER A 197
LEU A 280
GLY A 278
 None
 0.98A 2j2pD-1pcaA:
0.2
2j2pF-1pcaA:
0.0		 2j2pD-1pcaA:
21.11
2j2pF-1pcaA:
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.
1s2t PHOSPHOENOLPYRUVATE
PHOSPHOMUTASE

(Mytilus edulis) 		PF13714
(PEP_mutase) 		4 ASP A  87
SER A  51
LEU A  48
GLY A  47
 None
 0.98A 2j2pD-1s2tA:
undetectable
2j2pF-1s2tA:
undetectable		 2j2pD-1s2tA:
20.72
2j2pF-1s2tA:
20.72
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.
1sde D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Streptomyces
sp. R61) 		PF00144
(Beta-lactamase) 		4 SER A 158
SER A 110
LEU A 112
GLY A 111
 None
 0.99A 2j2pD-1sdeA:
undetectable
2j2pF-1sdeA:
undetectable		 2j2pD-1sdeA:
22.57
2j2pF-1sdeA:
22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ukv GTP-BINDING PROTEIN
YPT1

(Saccharomyces
cerevisiae) 		PF00071
(Ras) 		4 ASP Y  63
SER Y  22
SER Y  39
GLY Y  42
 MG  Y1208 ( 4.0A)
MG  Y1208 ( 2.1A)
None
None
 0.98A 2j2pD-1ukvY:
undetectable
2j2pF-1ukvY:
undetectable		 2j2pD-1ukvY:
22.44
2j2pF-1ukvY:
22.44
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.
1v6m GALACTOSE-BINDING
LECTIN

(Arachis
hypogaea) 		PF00139
(Lectin_legB) 		4 SER A 100
SER A 209
LEU A 106
GLY A 107
 None
 0.92A 2j2pD-1v6mA:
undetectable
2j2pF-1v6mA:
0.0		 2j2pD-1v6mA:
20.56
2j2pF-1v6mA:
20.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE

(Escherichia
coli) 		PF00171
(Aldedh) 		4 SER A 402
SER A 450
LEU A 406
GLY A 405
 None
 0.95A 2j2pD-1wnbA:
undetectable
2j2pF-1wnbA:
undetectable		 2j2pD-1wnbA:
18.29
2j2pF-1wnbA:
18.29
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.
1yq2 BETA-GALACTOSIDASE

(Arthrobacter
sp. C2-2) 		PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		4 ARG A 766
ASP A1002
LEU A 994
GLY A 995
 None
 0.98A 2j2pD-1yq2A:
undetectable
2j2pF-1yq2A:
undetectable		 2j2pD-1yq2A:
12.39
2j2pF-1yq2A:
12.39
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.
1zli CARBOXYPEPTIDASE B

(Homo sapiens) 		PF00246
(Peptidase_M14) 		4 ARG A 124
SER A 197
LEU A 280
GLY A 278
 None
 1.01A 2j2pD-1zliA:
undetectable
2j2pF-1zliA:
undetectable		 2j2pD-1zliA:
23.00
2j2pF-1zliA:
23.00
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.
2boa CARBOXYPEPTIDASE A4

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		4 ARG A1124
SER A1197
LEU A1280
GLY A1278
 None
 1.01A 2j2pD-2boaA:
undetectable
2j2pF-2boaA:
undetectable		 2j2pD-2boaA:
19.55
2j2pF-2boaA:
19.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c6x CITRATE SYNTHASE 1

(Bacillus
subtilis) 		PF00285
(Citrate_synt) 		4 ASP A 196
SER A 199
LEU A 101
GLY A 102
 None
 0.97A 2j2pD-2c6xA:
undetectable
2j2pF-2c6xA:
undetectable		 2j2pD-2c6xA:
18.99
2j2pF-2c6xA:
18.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d1c ISOCITRATE
DEHYDROGENASE

(Thermus
thermophilus) 		PF00180
(Iso_dh) 		4 ARG A 104
ASP A 252
SER A 251
SER A 266
 CIT  A1585 (-3.1A)
None
None
None
 0.96A 2j2pD-2d1cA:
undetectable
2j2pF-2d1cA:
undetectable		 2j2pD-2d1cA:
17.55
2j2pF-2d1cA:
17.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2d39 FICOLIN-1

(Homo sapiens) 		PF00147
(Fibrinogen_C) 		5 ASP A 163
SER A 165
SER A 181
LEU A 183
GLY A 184
 None
 0.27A 2j2pD-2d39A:
33.0
2j2pF-2d39A:
33.2		 2j2pD-2d39A:
81.65
2j2pF-2d39A:
81.65
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.
2euh NADP DEPENDENT NON
PHOSPHORYLATING
GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Streptococcus
mutans) 		PF00171
(Aldedh) 		4 SER A 401
SER A 450
LEU A 405
GLY A 404
 None
None
NAP  A 476 ( 4.7A)
None
 0.96A 2j2pD-2euhA:
undetectable
2j2pF-2euhA:
undetectable		 2j2pD-2euhA:
18.05
2j2pF-2euhA:
18.05
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.
2h39 PROBABLE
GALACTOSE-1-PHOSPHAT
E URIDYL TRANSFERASE

(Arabidopsis
thaliana) 		PF01087
(GalP_UDP_transf)
PF02744
(GalP_UDP_tr_C) 		4 ASP A 269
SER A 231
LEU A 274
GLY A 272
 None
 0.88A 2j2pD-2h39A:
undetectable
2j2pF-2h39A:
undetectable		 2j2pD-2h39A:
17.81
2j2pF-2h39A:
17.81
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.
2ilu ALDEHYDE
DEHYDROGENASE A

(Escherichia
coli) 		PF00171
(Aldedh) 		4 SER A 407
SER A 455
LEU A 411
GLY A 410
 SO4  A 480 ( 4.8A)
SO4  A 480 ( 3.7A)
SO4  A 480 (-4.3A)
SO4  A 480 (-2.9A)
 1.00A 2j2pD-2iluA:
undetectable
2j2pF-2iluA:
undetectable		 2j2pD-2iluA:
16.37
2j2pF-2iluA:
16.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jif SHORT/BRANCHED CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo sapiens) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 ARG A 405
ASP A 132
SER A 134
SER A  87
 None
 1.04A 2j2pD-2jifA:
undetectable
2j2pF-2jifA:
undetectable		 2j2pD-2jifA:
20.78
2j2pF-2jifA:
20.78
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.
2pcu CARBOXYPEPTIDASE A4

(Homo sapiens) 		PF00246
(Peptidase_M14) 		4 ARG A 124
SER A 197
LEU A 280
GLY A 278
 GOL  A 501 (-4.0A)
None
GOL  A 501 (-4.4A)
None
 1.00A 2j2pD-2pcuA:
undetectable
2j2pF-2pcuA:
undetectable		 2j2pD-2pcuA:
21.32
2j2pF-2pcuA:
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.
2vf8 EXCINUCLEASE ABC
SUBUNIT A

(Deinococcus
radiodurans) 		PF00005
(ABC_tran) 		4 SER A 381
SER A 532
LEU A 412
GLY A 411
 None
ADP  A1844 ( 4.4A)
None
None
 1.00A 2j2pD-2vf8A:
undetectable
2j2pF-2vf8A:
undetectable		 2j2pD-2vf8A:
13.68
2j2pF-2vf8A:
13.68
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.
2wia FERROUS IRON
TRANSPORT PROTEIN B

(Klebsiella
pneumoniae) 		PF02421
(FeoB_N) 		4 ARG A 248
SER A 215
LEU A 206
GLY A 205
 None
 0.97A 2j2pD-2wiaA:
undetectable
2j2pF-2wiaA:
undetectable		 2j2pD-2wiaA:
19.71
2j2pF-2wiaA:
19.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2wnp FICOLIN-1

(Homo sapiens) 		PF00147
(Fibrinogen_C) 		5 ASP F 134
SER F 136
SER F 152
LEU F 154
GLY F 155
 None
 0.28A 2j2pD-2wnpF:
39.6
2j2pF-2wnpF:
39.6		 2j2pD-2wnpF:
83.49
2j2pF-2wnpF:
83.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus) 		PF13088
(BNR_2) 		4 ASP A 293
SER A 359
LEU A 314
GLY A 298
 None
 1.03A 2j2pD-2xziA:
undetectable
2j2pF-2xziA:
undetectable		 2j2pD-2xziA:
20.94
2j2pF-2xziA:
20.94
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.
2yb4 AMIDOHYDROLASE

(Chromobacterium
violaceum) 		PF02811
(PHP) 		4 ASP A 248
SER A 244
LEU A   6
GLY A 246
 None
 1.03A 2j2pD-2yb4A:
undetectable
2j2pF-2yb4A:
undetectable		 2j2pD-2yb4A:
22.30
2j2pF-2yb4A:
22.30
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.
3b4w ALDEHYDE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF00171
(Aldedh) 		4 SER A 411
SER A 458
LEU A 415
GLY A 414
 None
None
NAD  A 500 ( 4.6A)
None
 0.90A 2j2pD-3b4wA:
undetectable
2j2pF-3b4wA:
undetectable		 2j2pD-3b4wA:
16.43
2j2pF-3b4wA:
16.43
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.
3bop BETA-NEUREXIN 2D4

(Mus musculus) 		PF02210
(Laminin_G_2) 		4 ASP A 160
SER A 133
LEU A 137
GLY A 138
 None
 0.96A 2j2pD-3bopA:
undetectable
2j2pF-3bopA:
undetectable		 2j2pD-3bopA:
22.67
2j2pF-3bopA:
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.
3c0k UPF0064 PROTEIN YCCW

(Escherichia
coli) 		PF10672
(Methyltrans_SAM) 		4 ARG A 371
SER A 109
LEU A 386
GLY A 385
 None
 0.94A 2j2pD-3c0kA:
undetectable
2j2pF-3c0kA:
undetectable		 2j2pD-3c0kA:
20.40
2j2pF-3c0kA:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d4u CARBOXYPEPTIDASE B2

(Bos taurus) 		PF00246
(Peptidase_M14) 		4 ARG A 124
SER A 197
LEU A 280
GLY A 278
 None
 1.03A 2j2pD-3d4uA:
undetectable
2j2pF-3d4uA:
undetectable		 2j2pD-3d4uA:
19.60
2j2pF-3d4uA:
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.
3e2i THYMIDINE KINASE

(Staphylococcus
aureus) 		PF00265
(TK) 		4 ASP A  88
SER A  22
LEU A 116
GLY A 115
 None
GOL  A 201 (-2.8A)
None
None
 0.98A 2j2pD-3e2iA:
undetectable
2j2pF-3e2iA:
undetectable		 2j2pD-3e2iA:
21.65
2j2pF-3e2iA:
21.65
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.
3efv PUTATIVE
SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE

(Salmonella
enterica) 		PF00171
(Aldedh) 		4 SER A 389
SER A 437
LEU A 393
GLY A 392
 None
None
NAD  A 463 ( 4.6A)
None
 0.90A 2j2pD-3efvA:
undetectable
2j2pF-3efvA:
undetectable		 2j2pD-3efvA:
17.95
2j2pF-3efvA:
17.95
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.
3fju CARBOXYPEPTIDASE A1

(Homo sapiens) 		PF00246
(Peptidase_M14) 		4 ARG A 124
SER A 197
LEU A 280
GLY A 278
 None
 1.03A 2j2pD-3fjuA:
undetectable
2j2pF-3fjuA:
undetectable		 2j2pD-3fjuA:
18.99
2j2pF-3fjuA:
18.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h5t TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY

(Corynebacterium
glutamicum) 		PF00356
(LacI)
PF13377
(Peripla_BP_3) 		4 ARG A 224
ASP A  85
SER A  88
SER A 136
 None
 1.01A 2j2pD-3h5tA:
undetectable
2j2pF-3h5tA:
undetectable		 2j2pD-3h5tA:
20.11
2j2pF-3h5tA:
20.11
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.
3hj6 FRUCTOKINASE

(Halothermothrix
orenii) 		PF00294
(PfkB) 		4 ARG A 185
ASP A  33
SER A  56
GLY A  55
 None
 1.00A 2j2pD-3hj6A:
undetectable
2j2pF-3hj6A:
undetectable		 2j2pD-3hj6A:
21.01
2j2pF-3hj6A:
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.
3hjr EXTRACELLULAR SERINE
PROTEASE

(Aeromonas
sobria) 		PF00082
(Peptidase_S8)
PF01483
(P_proprotein) 		4 SER A 409
SER A 280
LEU A 416
GLY A 415
 None
 0.89A 2j2pD-3hjrA:
undetectable
2j2pF-3hjrA:
undetectable		 2j2pD-3hjrA:
16.00
2j2pF-3hjrA:
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.
3is5 CALCIUM-DEPENDENT
PROTEIN KINASE

(Toxoplasma
gondii) 		PF00069
(Pkinase) 		4 ASP A 270
SER A 275
LEU A 267
GLY A 215
 None
GOL  A 400 ( 4.7A)
None
None
 0.99A 2j2pD-3is5A:
undetectable
2j2pF-3is5A:
undetectable		 2j2pD-3is5A:
18.40
2j2pF-3is5A:
18.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k2w BETAINE-ALDEHYDE
DEHYDROGENASE

(Pseudoalteromonas
atlantica) 		PF00171
(Aldedh) 		4 SER A 414
SER A 462
LEU A 418
GLY A 417
 None
CL  A 497 ( 4.4A)
CL  A 497 (-4.9A)
CL  A 497 ( 4.0A)
 0.89A 2j2pD-3k2wA:
undetectable
2j2pF-3k2wA:
undetectable		 2j2pD-3k2wA:
18.76
2j2pF-3k2wA:
18.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mor CATHEPSIN B-LIKE
CYSTEINE PROTEASE

(Trypanosoma
brucei) 		PF00112
(Peptidase_C1) 		4 ASP A 168
SER A  78
LEU A 237
GLY A 329
 None
 0.89A 2j2pD-3morA:
undetectable
2j2pF-3morA:
undetectable		 2j2pD-3morA:
21.23
2j2pF-3morA:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ong UBIQUITIN-ACTIVATING
ENZYME E1-LIKE

(Saccharomyces
cerevisiae) 		no annotation 4 ARG A 484
SER A 508
LEU A 504
GLY A 505
 None
 0.92A 2j2pD-3ongA:
undetectable
2j2pF-3ongA:
undetectable		 2j2pD-3ongA:
19.16
2j2pF-3ongA:
19.16
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.
3osl CARBOXYPEPTIDASE B2

(Bos taurus) 		PF00246
(Peptidase_M14) 		4 ARG A 236
SER A 311
LEU A 395
GLY A 393
 None
 1.03A 2j2pD-3oslA:
undetectable
2j2pF-3oslA:
undetectable		 2j2pD-3oslA:
17.90
2j2pF-3oslA:
17.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pl2 SUGAR KINASE,
RIBOKINASE FAMILY

(Corynebacterium
glutamicum) 		PF00294
(PfkB) 		4 ARG A 113
SER A 150
SER A  61
GLY A  14
 None
 0.94A 2j2pD-3pl2A:
undetectable
2j2pF-3pl2A:
undetectable		 2j2pD-3pl2A:
24.00
2j2pF-3pl2A:
24.00
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.
3r0q PROBABLE PROTEIN
ARGININE
N-METHYLTRANSFERASE
4.2

(Arabidopsis
thaliana) 		no annotation 4 ARG C  54
ASP C  76
SER C  81
GLY C  82
 SAH  C   1 (-2.7A)
SAH  C   1 ( 4.5A)
SAH  C   1 ( 4.4A)
None
 0.85A 2j2pD-3r0qC:
undetectable
2j2pF-3r0qC:
undetectable		 2j2pD-3r0qC:
20.32
2j2pF-3r0qC:
20.32
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.
3ros NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Lactobacillus
acidophilus) 		PF00171
(Aldedh) 		4 SER A 384
SER A 432
LEU A 388
GLY A 387
 None
 0.91A 2j2pD-3rosA:
undetectable
2j2pF-3rosA:
undetectable		 2j2pD-3rosA:
17.93
2j2pF-3rosA:
17.93
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.
3ty4 PROBABLE
HOMOISOCITRATE
DEHYDROGENASE

(Schizosaccharomyces
pombe) 		PF00180
(Iso_dh) 		4 ARG A  97
ASP A 260
SER A 259
SER A 274
 None
GOL  A 366 (-3.4A)
None
None
 1.01A 2j2pD-3ty4A:
undetectable
2j2pF-3ty4A:
undetectable		 2j2pD-3ty4A:
21.39
2j2pF-3ty4A:
21.39
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.
3uj2 ENOLASE 1

(Anaerostipes
caccae) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		4 ARG A 134
SER A 418
LEU A 415
GLY A 416
 None
 0.98A 2j2pD-3uj2A:
undetectable
2j2pF-3uj2A:
undetectable		 2j2pD-3uj2A:
18.97
2j2pF-3uj2A:
18.97
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.
3us8 ISOCITRATE
DEHYDROGENASE [NADP]

(Sinorhizobium
meliloti) 		PF00180
(Iso_dh) 		4 ARG A 100
ASP A 277
SER A 276
SER A 291
 SO4  A 501 ( 4.8A)
None
None
None
 0.88A 2j2pD-3us8A:
undetectable
2j2pF-3us8A:
undetectable		 2j2pD-3us8A:
18.37
2j2pF-3us8A:
18.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vz0 PUTATIVE
NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Gluconobacter
oxydans) 		PF00171
(Aldedh) 		4 SER A 385
SER A 433
LEU A 389
GLY A 388
 None
 0.89A 2j2pD-3vz0A:
undetectable
2j2pF-3vz0A:
undetectable		 2j2pD-3vz0A:
19.34
2j2pF-3vz0A:
19.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wst PROTEIN ARGININE
N-METHYLTRANSFERASE
7

(Caenorhabditis
elegans) 		PF13649
(Methyltransf_25) 		4 ARG A  42
ASP A  70
LEU A  77
GLY A  76
 SAH  A 701 (-2.7A)
SAH  A 701 ( 4.4A)
None
None
 0.98A 2j2pD-3wstA:
undetectable
2j2pF-3wstA:
undetectable		 2j2pD-3wstA:
15.43
2j2pF-3wstA:
15.43
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.
3wsy SORTILIN-RELATED
RECEPTOR

(Homo sapiens) 		PF15901
(Sortilin_C)
PF15902
(Sortilin-Vps10) 		4 ARG A 298
SER A 364
SER A 393
GLY A 396
 None
None
None
NAG  A 802 (-4.1A)
 0.80A 2j2pD-3wsyA:
undetectable
2j2pF-3wsyA:
undetectable		 2j2pD-3wsyA:
14.55
2j2pF-3wsyA:
14.55
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.
4aw2 SERINE/THREONINE-PRO
TEIN KINASE MRCK
ALPHA

(Rattus
norvegicus) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		4 ARG A  71
ASP A 412
SER A  27
GLY A 401
 22E  A 500 ( 4.0A)
None
None
None
 0.90A 2j2pD-4aw2A:
undetectable
2j2pF-4aw2A:
undetectable		 2j2pD-4aw2A:
20.28
2j2pF-4aw2A:
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.
4bh6 APC/C ACTIVATOR
PROTEIN CDH1

(Saccharomyces
cerevisiae) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		4 ARG A 369
ASP A 363
SER A 361
GLY A 324
 None
 1.04A 2j2pD-4bh6A:
undetectable
2j2pF-4bh6A:
undetectable		 2j2pD-4bh6A:
22.29
2j2pF-4bh6A:
22.29
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.
4c4a PROTEIN ARGININE
N-METHYLTRANSFERASE
7

(Mus musculus) 		PF06325
(PrmA) 		4 ARG A  44
ASP A  70
LEU A  77
GLY A  76
 SAH  A1689 (-2.7A)
SAH  A1689 ( 4.4A)
SAH  A1689 ( 4.5A)
None
 0.98A 2j2pD-4c4aA:
undetectable
2j2pF-4c4aA:
undetectable		 2j2pD-4c4aA:
15.20
2j2pF-4c4aA:
15.20
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.
4dal PUTATIVE ALDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00171
(Aldedh) 		4 SER A 402
SER A 450
LEU A 406
GLY A 405
 None
 0.96A 2j2pD-4dalA:
undetectable
2j2pF-4dalA:
undetectable		 2j2pD-4dalA:
18.45
2j2pF-4dalA:
18.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e6w CLBP PEPTIDASE

(Escherichia
coli) 		PF00144
(Beta-lactamase) 		4 SER A 185
SER A 148
LEU A 150
GLY A 149
 None
 1.03A 2j2pD-4e6wA:
undetectable
2j2pF-4e6wA:
undetectable		 2j2pD-4e6wA:
21.67
2j2pF-4e6wA:
21.67
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.
4hxy PLM1

(Streptomyces
sp. HK803) 		PF08659
(KR) 		4 ASP A 340
SER A 318
SER A 321
GLY A 322
 None
 0.91A 2j2pD-4hxyA:
undetectable
2j2pF-4hxyA:
undetectable		 2j2pD-4hxyA:
20.63
2j2pF-4hxyA:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hzz NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 SER A 407
SER A 323
LEU A 362
GLY A 363
 None
 0.98A 2j2pD-4hzzA:
undetectable
2j2pF-4hzzA:
undetectable		 2j2pD-4hzzA:
18.43
2j2pF-4hzzA:
18.43
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.
4jz6 SALICYLALDEHYDE
DEHYDROGENASE NAHF

(Pseudomonas
putida) 		PF00171
(Aldedh) 		4 SER A 403
SER A 255
LEU A 407
GLY A 253
 None
 0.91A 2j2pD-4jz6A:
undetectable
2j2pF-4jz6A:
undetectable		 2j2pD-4jz6A:
17.44
2j2pF-4jz6A:
17.44
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.
4kwg ALDEHYDE
DEHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00171
(Aldedh) 		4 SER A 423
SER A 471
LEU A 427
GLY A 426
 None
 0.98A 2j2pD-4kwgA:
undetectable
2j2pF-4kwgA:
undetectable		 2j2pD-4kwgA:
20.48
2j2pF-4kwgA:
20.48
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.
4l7a UNCHARACTERIZED
PROTEIN

(Bacteroides
caccae) 		PF15890
(Peptidase_Mx1) 		4 ARG A 202
ASP A 224
LEU A 210
GLY A 211
 None
 0.98A 2j2pD-4l7aA:
undetectable
2j2pF-4l7aA:
undetectable		 2j2pD-4l7aA:
19.23
2j2pF-4l7aA:
19.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m38 PROTEIN ARGININE
N-METHYLTRANSFERASE
7

(Trypanosoma
brucei) 		PF06325
(PrmA) 		4 ARG A  81
SER A 106
LEU A 108
GLY A 107
 SAH  A 401 (-2.4A)
SAH  A 401 (-3.3A)
SAH  A 401 ( 4.9A)
None
 0.79A 2j2pD-4m38A:
undetectable
2j2pF-4m38A:
undetectable		 2j2pD-4m38A:
16.71
2j2pF-4m38A:
16.71
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.
4oht SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE

(Streptococcus
pyogenes) 		PF00171
(Aldedh) 		4 SER A 384
SER A 432
LEU A 388
GLY A 387
 None
 0.87A 2j2pD-4ohtA:
undetectable
2j2pF-4ohtA:
undetectable		 2j2pD-4ohtA:
20.22
2j2pF-4ohtA:
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.
4okd ISOAMYLASE

(Chlamydomonas
reinhardtii) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		4 SER A 103
SER A 114
LEU A 100
GLY A 101
 None
 1.02A 2j2pD-4okdA:
undetectable
2j2pF-4okdA:
undetectable		 2j2pD-4okdA:
14.49
2j2pF-4okdA:
14.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ou2 2-AMINOMUCONATE
6-SEMIALDEHYDE
DEHYDROGENASE

(Pseudomonas
fluorescens) 		PF00171
(Aldedh) 		4 SER A 428
SER A 476
LEU A 432
GLY A 431
 None
None
NAD  A 601 (-4.3A)
None
 0.94A 2j2pD-4ou2A:
undetectable
2j2pF-4ou2A:
undetectable		 2j2pD-4ou2A:
18.38
2j2pF-4ou2A:
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.
4p62 METALLO-BETA-LACTAMA
SE AIM-1

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		4 ASP A  33
SER A 254
LEU A 256
GLY A 255
 None
 1.00A 2j2pD-4p62A:
undetectable
2j2pF-4p62A:
undetectable		 2j2pD-4p62A:
18.30
2j2pF-4p62A:
18.30
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.
4pws PROLINE-RICH 28 KDA
ANTIGEN

(Mycobacterium
tuberculosis) 		PF10738
(Lpp-LpqN) 		4 ASP A 257
SER A 164
LEU A 157
GLY A 158
 None
 0.98A 2j2pD-4pwsA:
undetectable
2j2pF-4pwsA:
undetectable		 2j2pD-4pwsA:
20.20
2j2pF-4pwsA:
20.20
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.
4q00 FERROUS IRON
TRANSPORT PROTEIN B

(Escherichia
coli) 		PF02421
(FeoB_N) 		4 ARG A 248
SER A 215
LEU A 206
GLY A 205
 None
 0.87A 2j2pD-4q00A:
undetectable
2j2pF-4q00A:
undetectable		 2j2pD-4q00A:
18.82
2j2pF-4q00A:
18.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qtu PUTATIVE
METHYLTRANSFERASE
BUD23

(Saccharomyces
cerevisiae) 		PF08241
(Methyltransf_11) 		4 ASP B  53
SER B  58
LEU B  60
GLY B  59
 SAM  B 301 ( 4.6A)
None
SAM  B 301 (-4.0A)
None
 0.93A 2j2pD-4qtuB:
undetectable
2j2pF-4qtuB:
undetectable		 2j2pD-4qtuB:
23.08
2j2pF-4qtuB:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qyj ALDEHYDE
DEHYDROGENASE

(Pseudomonas
putida) 		PF00171
(Aldedh) 		4 SER A 424
SER A 472
LEU A 428
GLY A 427
 None
 0.97A 2j2pD-4qyjA:
undetectable
2j2pF-4qyjA:
undetectable		 2j2pD-4qyjA:
17.98
2j2pF-4qyjA:
17.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r9j FICOLIN-2

(Homo sapiens) 		no annotation 5 ASP G 125
SER G 127
SER G 143
LEU G 145
GLY G 146
 None
 0.37A 2j2pD-4r9jG:
40.1
2j2pF-4r9jG:
40.0		 2j2pD-4r9jG:
99.08
2j2pF-4r9jG:
99.08
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.
4u3w 2-AMINOMUCONATE
6-SEMIALDEHYDE
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00171
(Aldedh) 		4 SER A 423
SER A 471
LEU A 427
GLY A 426
 None
 0.92A 2j2pD-4u3wA:
undetectable
2j2pF-4u3wA:
undetectable		 2j2pD-4u3wA:
18.93
2j2pF-4u3wA:
18.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uaq PROTEIN TRANSLOCASE
SUBUNIT SECA 2

(Mycobacterium
tuberculosis) 		PF01043
(SecA_PP_bind)
PF07516
(SecA_SW)
PF07517
(SecA_DEAD) 		4 ARG A 441
SER A 554
LEU A 522
GLY A 524
 None
 1.04A 2j2pD-4uaqA:
undetectable
2j2pF-4uaqA:
undetectable		 2j2pD-4uaqA:
13.71
2j2pF-4uaqA:
13.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uf4 CARBOXYPEPTIDASE A1

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		4 ARG A 234
SER A 307
LEU A 390
GLY A 388
 None
 0.98A 2j2pD-4uf4A:
undetectable
2j2pF-4uf4A:
undetectable		 2j2pD-4uf4A:
19.51
2j2pF-4uf4A:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yk6 ADENOMATOUS
POLYPOSIS COLI
PROTEIN

(Homo sapiens) 		PF00514
(Arm)
PF16629
(Arm_APC_u3) 		4 ASP A 482
SER A 494
LEU A 488
GLY A 487
 None
 0.99A 2j2pD-4yk6A:
undetectable
2j2pF-4yk6A:
undetectable		 2j2pD-4yk6A:
19.44
2j2pF-4yk6A:
19.44
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.
4zoh PUTATIVE
OXIDOREDUCTASE
MOLYBDOPTERIN-BINDIN
G SUBUNIT

(Sulfurisphaera
tokodaii) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		4 ARG A 245
SER A 184
LEU A 165
GLY A 212
 None
None
FES  C 202 ( 4.1A)
None
 1.00A 2j2pD-4zohA:
undetectable
2j2pF-4zohA:
undetectable		 2j2pD-4zohA:
16.12
2j2pF-4zohA:
16.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zwl BETAINE-ALDEHYDE
DEHYDROGENASE

(Staphylococcus
aureus) 		PF00171
(Aldedh) 		4 SER A 414
SER A 462
LEU A 418
GLY A 417
 None
None
NAD  A 501 (-4.4A)
None
 0.78A 2j2pD-4zwlA:
undetectable
2j2pF-4zwlA:
undetectable		 2j2pD-4zwlA:
17.80
2j2pF-4zwlA:
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.
5a6c G-PROTEIN-SIGNALING
MODULATOR 2, AFADIN

(Homo sapiens) 		PF13176
(TPR_7)
PF13181
(TPR_8)
PF13424
(TPR_12) 		4 ASP A  81
SER A  55
LEU A  92
GLY A  93
 None
 0.98A 2j2pD-5a6cA:
undetectable
2j2pF-5a6cA:
undetectable		 2j2pD-5a6cA:
22.87
2j2pF-5a6cA:
22.87
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.
5bp9 PUTATIVE
METHYLTRANSFERASE
PROTEIN

(Bacteroides
fragilis) 		PF13489
(Methyltransf_23) 		4 ARG A  64
ASP A  86
SER A  91
GLY A  92
 SAH  A 303 (-3.1A)
None
None
None
 0.95A 2j2pD-5bp9A:
undetectable
2j2pF-5bp9A:
undetectable		 2j2pD-5bp9A:
21.45
2j2pF-5bp9A:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ch8 MONO- AND
DIACYLGLYCEROL
LIPASE

(Penicillium
cyclopium) 		PF01764
(Lipase_3)
PF03893
(Lipase3_N) 		4 SER A  20
SER A 145
LEU A 146
GLY A 147
 None
CL  A 304 (-3.6A)
GOL  A 308 (-3.6A)
None
 1.00A 2j2pD-5ch8A:
undetectable
2j2pF-5ch8A:
undetectable		 2j2pD-5ch8A:
21.52
2j2pF-5ch8A:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eku ARGININE
N-METHYLTRANSFERASE,
PUTATIVE

(Trypanosoma
brucei) 		PF06325
(PrmA) 		4 ARG A  81
SER A 106
LEU A 108
GLY A 107
 SAH  A 401 (-2.4A)
SAH  A 401 (-2.7A)
None
SAH  A 401 ( 4.8A)
 0.87A 2j2pD-5ekuA:
undetectable
2j2pF-5ekuA:
undetectable		 2j2pD-5ekuA:
17.14
2j2pF-5ekuA:
17.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f1y MCCC FAMILY PROTEIN

(Bacillus cereus) 		PF02016
(Peptidase_S66) 		4 SER A 131
SER A 324
LEU A 212
GLY A 323
 None
 1.04A 2j2pD-5f1yA:
undetectable
2j2pF-5f1yA:
undetectable		 2j2pD-5f1yA:
21.43
2j2pF-5f1yA:
21.43
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.
5f5o NUCLEOPROTEIN

(Marburg
marburgvirus) 		PF05505
(Ebola_NP) 		4 ASP A 208
SER A 134
LEU A 131
GLY A 130
 None
 0.97A 2j2pD-5f5oA:
undetectable
2j2pF-5f5oA:
undetectable		 2j2pD-5f5oA:
20.61
2j2pF-5f5oA:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gtk BETAINE-ALDEHYDE
DEHYDROGENASE

(Bacillus cereus) 		PF00171
(Aldedh) 		4 SER A 421
SER A 469
LEU A 425
GLY A 424
 None
 0.98A 2j2pD-5gtkA:
undetectable
2j2pF-5gtkA:
undetectable		 2j2pD-5gtkA:
19.07
2j2pF-5gtkA:
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.
5hvf CARBOXYPEPTIDASE B2

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		4 ARG A 214
SER A 289
LEU A 373
GLY A 371
 None
 0.99A 2j2pD-5hvfA:
undetectable
2j2pF-5hvfA:
undetectable		 2j2pD-5hvfA:
19.80
2j2pF-5hvfA:
19.80
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.
5j32 3-ISOPROPYLMALATE
DEHYDROGENASE 2,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00180
(Iso_dh) 		4 ARG A 136
ASP A 292
SER A 291
SER A 306
 IPM  A 502 (-3.0A)
MG  A 501 (-2.9A)
None
None
 0.94A 2j2pD-5j32A:
undetectable
2j2pF-5j32A:
undetectable		 2j2pD-5j32A:
20.30
2j2pF-5j32A:
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.
5j6b ALDEHYDE
DEHYDROGENASE

(Burkholderia
thailandensis) 		PF00171
(Aldedh) 		4 SER A 403
SER A 452
LEU A 407
GLY A 406
 None
 0.88A 2j2pD-5j6bA:
undetectable
2j2pF-5j6bA:
undetectable		 2j2pD-5j6bA:
18.88
2j2pF-5j6bA:
18.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jry NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Burkholderia
multivorans) 		PF00171
(Aldedh) 		4 SER A 403
SER A 452
LEU A 407
GLY A 406
 None
None
NDP  A 500 ( 4.8A)
None
 0.90A 2j2pD-5jryA:
undetectable
2j2pF-5jryA:
undetectable		 2j2pD-5jryA:
17.71
2j2pF-5jryA:
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.
5nnl INACTIVE
DIHYDROOROTASE-LIKE
DOMAIN

(Chaetomium
thermophilum) 		no annotation 4 ASP A1696
SER A1672
LEU A1739
GLY A1737
 None
 1.04A 2j2pD-5nnlA:
undetectable
2j2pF-5nnlA:
undetectable		 2j2pD-5nnlA:
18.87
2j2pF-5nnlA:
18.87
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.
5o6b ATP-DEPENDENT DNA
HELICASE PIF1

(Saccharomyces
cerevisiae) 		no annotation 4 ARG A 734
ASP A 341
SER A 265
GLY A 377
 ALF  A1002 (-2.6A)
MG  A1003 ( 3.9A)
MG  A1003 ( 2.1A)
None
 1.02A 2j2pD-5o6bA:
undetectable
2j2pF-5o6bA:
undetectable		 2j2pD-5o6bA:
18.81
2j2pF-5o6bA:
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.
5ol2 ELECTRON TRANSFER
FLAVOPROTEIN LARGE
SUBUNIT
ELECTRON TRANSFER
FLAVOPROTEIN SMALL
SUBUNIT

(Clostridioides
difficile) 		no annotation 4 ASP B  98
SER A 109
LEU A 116
GLY A 115
 FAD  B 300 (-3.9A)
None
None
None
 0.91A 2j2pD-5ol2B:
undetectable
2j2pF-5ol2B:
undetectable		 2j2pD-5ol2B:
23.51
2j2pF-5ol2B:
23.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tqi PYRIDOXAL KINASE
PDXY

(Burkholderia
multivorans) 		PF08543
(Phos_pyr_kin) 		4 ASP A 111
SER A 142
LEU A 222
GLY A 220
 None
 1.03A 2j2pD-5tqiA:
undetectable
2j2pF-5tqiA:
undetectable		 2j2pD-5tqiA:
21.31
2j2pF-5tqiA:
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.
5uc0 UNCHARACTERIZED
PROTEIN COG5400

(Brucella
abortus) 		PF06577
(DUF1134) 		4 ASP A 119
SER A  85
LEU A 116
GLY A 117
 None
 1.04A 2j2pD-5uc0A:
undetectable
2j2pF-5uc0A:
undetectable		 2j2pD-5uc0A:
21.19
2j2pF-5uc0A:
21.19
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.
5unc PHOSPHOENOLPYRUVATE
PHOSPHOMUTASE

(Streptomyces
platensis) 		PF13714
(PEP_mutase) 		4 ASP A 100
SER A  64
LEU A  61
GLY A  60
 None
None
TLA  A 401 (-4.0A)
TLA  A 401 ( 4.0A)
 0.96A 2j2pD-5uncA:
undetectable
2j2pF-5uncA:
undetectable		 2j2pD-5uncA:
20.17
2j2pF-5uncA:
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.
6b5i RETINAL
DEHYDROGENASE 2

(Homo sapiens) 		no annotation 4 SER A 441
SER A 291
LEU A 445
GLY A 289
 None
 1.00A 2j2pD-6b5iA:
undetectable
2j2pF-6b5iA:
undetectable		 2j2pD-6b5iA:
15.67
2j2pF-6b5iA:
15.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b5i RETINAL
DEHYDROGENASE 2

(Homo sapiens) 		no annotation 4 SER A 441
SER A 489
LEU A 445
GLY A 444
 None
 0.95A 2j2pD-6b5iA:
undetectable
2j2pF-6b5iA:
undetectable		 2j2pD-6b5iA:
15.67
2j2pF-6b5iA:
15.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c43 GAMMA-AMINOBUTYRALDE
HYDE DEHYDROGENASE

(Salmonella
enterica) 		no annotation 4 SER A 402
SER A 450
LEU A 406
GLY A 405
 None
 1.00A 2j2pD-6c43A:
undetectable
2j2pF-6c43A:
undetectable		 2j2pD-6c43A:
18.05
2j2pF-6c43A:
18.05