SIMILAR PATTERNS OF AMINO ACIDS FOR 4DJF_A_C2FA300_0

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.
1czf POLYGALACTURONASE II

(Aspergillus
niger) 		PF00295
(Glyco_hydro_28) 		5 ASN A 191
ILE A 270
GLY A 209
SER A 187
ILE A 212
 None
 1.23A 4djfA-1czfA:
undetectable		 4djfA-1czfA:
19.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1f6y 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE

(Moorella
thermoacetica) 		PF00809
(Pterin_bind) 		11 GLU A   6
ASN A   9
MET A  11
PHE A  12
ILE A 120
ASP A 160
GLY A 196
SER A 198
GLN A 202
ARG A 207
ILE A 227
 None
 0.43A 4djfA-1f6yA:
44.0		 4djfA-1f6yA:
99.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1f6y 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE

(Moorella
thermoacetica) 		PF00809
(Pterin_bind) 		6 MET A  11
ASP A 160
SER A 198
ASN A 199
GLN A 202
ARG A 207
 None
 0.97A 4djfA-1f6yA:
44.0		 4djfA-1f6yA:
99.24
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.
1oqv TOXIN-COREGULATED
PILUS SUBUNIT

(Vibrio cholerae) 		PF05946
(TcpA) 		5 PHE A  88
ILE A 164
GLY A 128
SER A 126
ILE A 124
 None
 1.39A 4djfA-1oqvA:
undetectable		 4djfA-1oqvA:
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.
1sc3 INTERLEUKIN-1 BETA
CONVERTASE

(Homo sapiens) 		PF00656
(Peptidase_C14) 		5 ASN A 170
PHE A 173
ILE A 261
GLY A 242
ILE A 243
 None
 1.31A 4djfA-1sc3A:
undetectable		 4djfA-1sc3A:
19.93
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.
1x2g LIPOATE-PROTEIN
LIGASE A

(Escherichia
coli) 		PF03099
(BPL_LplA_LipB)
PF10437
(Lip_prot_lig_C) 		5 GLU A  54
ASN A  50
GLY A  46
ARG A 258
ILE A  45
 None
 1.43A 4djfA-1x2gA:
undetectable		 4djfA-1x2gA:
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.
1xbf CLOSTRIDIUM
ACETOBUTYLICUM
Q97KL0

(Clostridium
acetobutylicum) 		PF01894
(UPF0047) 		5 ASN A  22
ILE A  99
GLY A 113
ASN A  54
ILE A 114
 None
 1.14A 4djfA-1xbfA:
undetectable		 4djfA-1xbfA:
18.70
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.
1yw4 SUCCINYLGLUTAMATE
DESUCCINYLASE

(Chromobacterium
violaceum) 		PF04952
(AstE_AspA) 		5 GLU A 214
ASN A 281
PHE A 310
GLY A 216
ARG A  99
 ZN  A 501 ( 4.5A)
None
None
None
ZN  A 501 ( 4.3A)
 1.43A 4djfA-1yw4A:
undetectable		 4djfA-1yw4A:
22.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ay9 AROMATIC AMINO ACID
AMINOTRANSFERASE

(Paracoccus
denitrificans) 		PF00155
(Aminotran_1_2) 		5 ASN A 259
PHE A 260
ILE A 221
ARG A 316
ILE A  87
 None
 1.48A 4djfA-2ay9A:
undetectable		 4djfA-2ay9A:
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.
2de2 DIBENZOTHIOPHENE
DESULFURIZATION
ENZYME B

(Rhodococcus sp.
IGTS8) 		no annotation 5 GLU A 156
PHE A 103
GLY A 183
SER A 181
GLN A 210
 None
None
GOL  A 501 (-3.3A)
None
None
 1.27A 4djfA-2de2A:
undetectable		 4djfA-2de2A:
22.43
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.
2g02 NISIN BIOSYNTHESIS
PROTEIN NISC

(Lactococcus
lactis) 		PF05147
(LANC_like) 		5 PHE A  34
ILE A  98
GLY A  93
SER A  86
ILE A  94
 None
 1.30A 4djfA-2g02A:
undetectable		 4djfA-2g02A:
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.
2hpg ABC TRANSPORTER,
PERIPLASMIC
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF03480
(DctP) 		5 GLU A 246
PHE A  42
ILE A  74
GLN A 154
ILE A 247
 None
 1.24A 4djfA-2hpgA:
undetectable		 4djfA-2hpgA:
22.32
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.
2hru PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE II

(Thermotoga
maritima) 		PF00586
(AIRS)
PF02769
(AIRS_C)
PF16904
(PurL_C) 		5 GLU A 425
ILE A 353
GLY A 418
ARG A 139
ILE A 421
 None
 1.41A 4djfA-2hruA:
undetectable		 4djfA-2hruA:
16.78
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.
2in2 PICORNAIN 3C

(Rhinovirus B) 		PF00548
(Peptidase_C3) 		5 GLU A  92
ILE A  30
ASP A  85
GLY A  88
ILE A  90
 None
 1.32A 4djfA-2in2A:
undetectable		 4djfA-2in2A:
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.
2jd4 LAMININ SUBUNIT
ALPHA-1

(Mus musculus) 		PF00054
(Laminin_G_1)
PF02210
(Laminin_G_2) 		5 ASN A2940
ILE A2901
GLY A2926
SER A3014
ILE A2925
 None
 1.23A 4djfA-2jd4A:
undetectable		 4djfA-2jd4A:
20.05
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.
2jir PERIPLASMIC NITRATE
REDUCTASE

(Desulfovibrio
desulfuricans) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 ASN A 638
PHE A 642
ASN A 209
ARG A 206
ILE A 619
 None
None
None
MGD  A 812 (-3.9A)
None
 1.39A 4djfA-2jirA:
undetectable		 4djfA-2jirA:
15.99
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.
2mou STAR-RELATED LIPID
TRANSFER PROTEIN 6

(Homo sapiens) 		PF01852
(START) 		5 ASN A 191
ILE A  97
ASP A 110
GLY A 146
ASN A 148
 None
 1.37A 4djfA-2mouA:
undetectable		 4djfA-2mouA:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o6k UPF0346 PROTEIN
MW1311

(Staphylococcus
aureus) 		PF06855
(YozE_SAM_like) 		5 GLU A  48
ILE A  27
ASP A  30
GLY A  51
ILE A  47
 None
 1.15A 4djfA-2o6kA:
undetectable		 4djfA-2o6kA:
11.70
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.
2xd3 MALTOSE/MALTODEXTRIN
-BINDING PROTEIN

(Streptococcus
pneumoniae) 		PF13416
(SBP_bac_8) 		5 ASN A 406
ASP A 220
GLY A 222
SER A 228
ASN A 225
 None
 1.26A 4djfA-2xd3A:
undetectable		 4djfA-2xd3A:
20.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE

(Carboxydothermus
hydrogenoformans) 		PF00809
(Pterin_bind) 		5 ASN A  10
MET A  12
ILE A 121
ASP A 161
GLN A 203
 C2F  A3000 ( 4.8A)
None
C2F  A3000 ( 4.2A)
C2F  A3000 (-3.5A)
C2F  A3000 (-3.9A)
 1.45A 4djfA-2ycjA:
42.3		 4djfA-2ycjA:
60.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE

(Carboxydothermus
hydrogenoformans) 		PF00809
(Pterin_bind) 		6 ASN A  46
ASP A 161
GLY A 197
ASN A 200
GLN A 203
ILE A 228
 None
C2F  A3000 (-3.5A)
C2F  A3000 (-3.6A)
C2F  A3000 (-3.1A)
C2F  A3000 (-3.9A)
C2F  A3000 (-4.6A)
 0.98A 4djfA-2ycjA:
42.3		 4djfA-2ycjA:
60.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE

(Carboxydothermus
hydrogenoformans) 		PF00809
(Pterin_bind) 		11 GLU A   7
ASN A  10
PHE A  13
ILE A 121
ASP A 161
GLY A 197
SER A 199
ASN A 200
GLN A 203
ARG A 208
ILE A 228
 C2F  A3000 ( 4.1A)
C2F  A3000 ( 4.8A)
C2F  A3000 (-3.9A)
C2F  A3000 ( 4.2A)
C2F  A3000 (-3.5A)
C2F  A3000 (-3.6A)
GOL  A1270 ( 3.9A)
C2F  A3000 (-3.1A)
C2F  A3000 (-3.9A)
C2F  A3000 ( 2.6A)
C2F  A3000 (-4.6A)
 0.55A 4djfA-2ycjA:
42.3		 4djfA-2ycjA:
60.52
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.
3a18 ALDOXIME DEHYDRATASE

(Rhodococcus
erythropolis) 		PF13816
(Dehydratase_hem) 		5 GLY A 281
SER A 260
ASN A 261
ARG A 345
ILE A 280
 None
 1.27A 4djfA-3a18A:
undetectable		 4djfA-3a18A:
22.81
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.
3a5v ALPHA-GALACTOSIDASE

(Umbelopsis
vinacea) 		PF16499
(Melibiase_2) 		5 MET A 150
ILE A  49
ASP A  51
ARG A  59
ILE A  92
 None
None
TRS  A 841 (-3.3A)
None
None
 1.34A 4djfA-3a5vA:
10.4		 4djfA-3a5vA:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3amj ZINC PEPTIDASE
INACTIVE SUBUNIT

(Sphingomonas
sp. A1) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		5 ASN B 286
PHE B 316
ILE B 302
GLY B 328
ILE B 327
 None
 1.39A 4djfA-3amjB:
undetectable		 4djfA-3amjB:
19.59
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.
3bf8 ESTERASE YBFF

(Escherichia
coli) 		PF12697
(Abhydrolase_6) 		5 ASN A  31
PHE A 161
ILE A 248
GLY A  87
ILE A 112
 None
 1.46A 4djfA-3bf8A:
undetectable		 4djfA-3bf8A:
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.
3bol 5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE

(Thermotoga
maritima) 		PF00809
(Pterin_bind)
PF02574
(S-methyl_trans) 		5 ASN A 323
ILE A 435
ASP A 473
GLY A 505
ASN A 508
 None
 0.93A 4djfA-3bolA:
25.8		 4djfA-3bolA:
16.75
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.
3bol 5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE

(Thermotoga
maritima) 		PF00809
(Pterin_bind)
PF02574
(S-methyl_trans) 		7 GLU A 320
ASN A 323
ILE A 435
ASP A 473
GLY A 505
SER A 507
ILE A 536
 None
 0.37A 4djfA-3bolA:
25.8		 4djfA-3bolA:
16.75
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.
3c5h GLUCOCORTICOID
RECEPTOR DNA-BINDING
FACTOR 1

(Homo sapiens) 		PF00071
(Ras) 		5 GLU A  95
PHE A  99
ASP A 165
GLY A  34
SER A  36
 MG  A 302 ( 2.6A)
None
None
GNP  A 301 (-3.2A)
MG  A 302 ( 2.1A)
 1.14A 4djfA-3c5hA:
2.1		 4djfA-3c5hA:
22.03
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.
3cdk SUCCINYL-COA:3-KETOA
CID-COENZYME A
TRANSFERASE SUBUNIT
A
SUCCINYL-COA:3-KETOA
CID-COENZYME A
TRANSFERASE SUBUNIT
B

(Bacillus
subtilis;
Bacillus
subtilis) 		PF01144
(CoA_trans)
PF01144
(CoA_trans) 		5 PHE A  28
GLY B  25
ASN B  23
GLN B  45
ILE B  26
 None
 1.34A 4djfA-3cdkA:
undetectable		 4djfA-3cdkA:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e4c CASPASE-1

(Homo sapiens) 		PF00656
(Peptidase_C14) 		5 ASN A 170
PHE A 173
ILE A 261
GLY A 242
ILE A 243
 None
 1.28A 4djfA-3e4cA:
undetectable		 4djfA-3e4cA:
19.61
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.
3f1x SERINE
ACETYLTRANSFERASE

(Bacteroides
vulgatus) 		PF00132
(Hexapep) 		5 ILE A 160
ASP A 133
GLY A 200
ASN A 221
ILE A 199
 None
 1.40A 4djfA-3f1xA:
undetectable		 4djfA-3f1xA:
21.47
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.
3gvx GLYCERATE
DEHYDROGENASE
RELATED PROTEIN

(Thermoplasma
acidophilum) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 GLU A  70
ILE A  63
ASP A  64
GLY A  67
ILE A  68
 None
 1.30A 4djfA-3gvxA:
undetectable		 4djfA-3gvxA:
23.95
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.
3h0g DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Schizosaccharomyces
pombe) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		5 PHE B  25
ILE B 687
GLY B 506
SER B 526
ARG B 482
 None
 1.49A 4djfA-3h0gB:
undetectable		 4djfA-3h0gB:
12.60
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.
3hja GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Borreliella
burgdorferi) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 GLU A 319
PHE A  48
ILE A  91
GLY A   9
ILE A  11
 None
None
None
NAD  A 337 (-3.3A)
NAD  A 337 (-4.2A)
 1.41A 4djfA-3hjaA:
undetectable		 4djfA-3hjaA:
24.60
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.
3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING

(Thermotoga
maritima) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ASN A 394
ILE A 378
ASP A  69
GLY A  64
SER A 190
 None
 1.16A 4djfA-3ip1A:
undetectable		 4djfA-3ip1A:
21.27
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.
3k13 5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE

(Bacteroides
thetaiotaomicron) 		PF00809
(Pterin_bind) 		8 GLU A 358
ASN A 361
ASP A 519
GLY A 558
SER A 560
ASN A 561
ARG A 573
ILE A 593
 THH  A 642 ( 3.5A)
GOL  A 643 (-3.1A)
THH  A 642 (-3.4A)
THH  A 642 (-3.3A)
K  A 644 ( 3.4A)
THH  A 642 ( 3.3A)
THH  A 642 (-3.1A)
THH  A 642 (-4.2A)
 0.45A 4djfA-3k13A:
29.2		 4djfA-3k13A:
26.25
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.
3kvn ESTERASE ESTA

(Pseudomonas
aeruginosa) 		no annotation 5 GLU X 457
PHE X 448
GLY X 506
SER X 508
ASN X 562
 None
 1.41A 4djfA-3kvnX:
undetectable		 4djfA-3kvnX:
18.44
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.
3l0g NICOTINATE-NUCLEOTID
E PYROPHOSPHORYLASE

(Ehrlichia
chaffeensis) 		PF01729
(QRPTase_C)
PF02749
(QRPTase_N) 		5 ASN A 266
PHE A 264
ILE A  38
GLY A  48
SER A 143
 None
 1.48A 4djfA-3l0gA:
6.5		 4djfA-3l0gA:
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.
3loq UNIVERSAL STRESS
PROTEIN

(Archaeoglobus
fulgidus) 		PF00582
(Usp) 		5 ASN A  36
ILE A  94
ASP A 128
GLY A 124
SER A 120
 None
None
None
None
AMP  A 271 (-2.6A)
 1.30A 4djfA-3loqA:
undetectable		 4djfA-3loqA:
22.81
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.
3o5a PERIPLASMIC NITRATE
REDUCTASE
DIHEME CYTOCHROME C
NAPB

(Cupriavidus
necator;
Cupriavidus
necator) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4)
PF03892
(NapB) 		5 ASN A 455
ILE B  12
GLY A 468
ASN A 439
GLN A 438
 MGD  A1803 (-4.9A)
None
None
None
None
 1.48A 4djfA-3o5aA:
undetectable		 4djfA-3o5aA:
15.80
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.
3pdw UNCHARACTERIZED
HYDROLASE YUTF

(Bacillus
subtilis) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		5 GLU A  96
ASP A 150
SER A  49
ASN A  47
ILE A 122
 None
GOL  A 267 (-3.5A)
None
GOL  A 267 (-4.1A)
None
 1.42A 4djfA-3pdwA:
undetectable		 4djfA-3pdwA:
23.72
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.
3qyf CRISPR-ASSOCIATED
PROTEIN

(Sulfolobus
solfataricus) 		PF09651
(Cas_APE2256) 		5 GLU A  72
ASN A 162
ILE A 118
SER A  70
GLN A 191
 None
 1.32A 4djfA-3qyfA:
undetectable		 4djfA-3qyfA:
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.
3r0o CARNITINYL-COA
DEHYDRATASE

(Mycobacterium
avium) 		PF00378
(ECH_1) 		5 ILE A  24
GLY A  63
SER A  68
ASN A 111
ILE A  26
 None
 1.25A 4djfA-3r0oA:
undetectable		 4djfA-3r0oA:
26.13
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.
3r5e TRANSALDOLASE

(Corynebacterium
glutamicum) 		PF00923
(TAL_FSA) 		5 ILE A  47
ASP A  18
SER A  26
ASN A  28
GLN A  31
 None
 1.48A 4djfA-3r5eA:
8.5		 4djfA-3r5eA:
22.99
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.
3ubo ADENOSINE KINASE

(Sinorhizobium
meliloti) 		PF00294
(PfkB) 		5 ASN A 215
ILE A 309
ASP A 272
GLY A 275
SER A  60
 ADP  A 354 (-3.8A)
None
None
ADN  A 353 (-3.7A)
ADN  A 353 (-4.6A)
 1.42A 4djfA-3uboA:
undetectable		 4djfA-3uboA:
24.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w08 ALDOXIME DEHYDRATASE

(Pseudomonas
chlororaphis) 		PF13816
(Dehydratase_hem) 		5 GLY A 281
SER A 260
ASN A 261
ARG A 345
ILE A 280
 None
 1.29A 4djfA-3w08A:
undetectable		 4djfA-3w08A:
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.
3wst PROTEIN ARGININE
N-METHYLTRANSFERASE
7

(Caenorhabditis
elegans) 		PF13649
(Methyltransf_25) 		5 GLU A 447
PHE A 370
ASP A 465
GLY A 387
SER A 390
 None
 1.29A 4djfA-3wstA:
undetectable		 4djfA-3wstA:
17.92
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.
4afr METACASPASE

(Trypanosoma
brucei) 		PF00656
(Peptidase_C14) 		5 MET A 254
ILE A  80
GLY A 159
SER A 215
ILE A 176
 None
 1.22A 4djfA-4afrA:
undetectable		 4djfA-4afrA:
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.
4ccz METHIONINE SYNTHASE

(Homo sapiens) 		PF00809
(Pterin_bind)
PF02574
(S-methyl_trans) 		5 ASN A 379
ASP A 537
ASN A 579
ARG A 585
ILE A 611
 THG  A1652 (-4.6A)
THG  A1652 (-3.4A)
THG  A1652 (-3.1A)
THG  A1652 (-3.3A)
THG  A1652 (-4.2A)
 1.36A 4djfA-4cczA:
29.7		 4djfA-4cczA:
18.71
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.
4ccz METHIONINE SYNTHASE

(Homo sapiens) 		PF00809
(Pterin_bind)
PF02574
(S-methyl_trans) 		5 ASN A 416
ASP A 537
GLY A 576
ASN A 579
ILE A 611
 None
THG  A1652 (-3.4A)
THG  A1652 (-3.6A)
THG  A1652 (-3.1A)
THG  A1652 (-4.2A)
 1.11A 4djfA-4cczA:
29.7		 4djfA-4cczA:
18.71
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.
4ccz METHIONINE SYNTHASE

(Homo sapiens) 		PF00809
(Pterin_bind)
PF02574
(S-methyl_trans) 		8 GLU A 376
ASN A 379
ASP A 537
GLY A 576
SER A 578
ASN A 579
ARG A 591
ILE A 611
 THG  A1652 (-3.5A)
THG  A1652 (-4.6A)
THG  A1652 (-3.4A)
THG  A1652 (-3.6A)
THG  A1652 (-4.2A)
THG  A1652 (-3.1A)
THG  A1652 (-3.0A)
THG  A1652 (-4.2A)
 0.48A 4djfA-4cczA:
29.7		 4djfA-4cczA:
18.71
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.
4cdb LISTERIOLYSIN O

(Listeria
monocytogenes) 		PF01289
(Thiol_cytolysin)
PF17440
(Thiol_cytolys_C) 		5 PHE A 464
ILE A 477
SER A 454
ASN A 456
ILE A 468
 None
 1.06A 4djfA-4cdbA:
undetectable		 4djfA-4cdbA:
19.37
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.
4d4g APNAA1

(Planktothrix
agardhii) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 ASN A  36
PHE A  10
ILE A 132
GLY A  70
ILE A  69
 None
 1.39A 4djfA-4d4gA:
undetectable		 4djfA-4d4gA:
20.36
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.
4drs PYRUVATE KINASE

(Cryptosporidium
parvum) 		PF00224
(PK)
PF02887
(PK_C) 		5 GLU A 272
ASN A 273
ILE A 115
GLY A 112
SER A 236
 GOL  A 603 (-3.9A)
None
None
None
GOL  A 603 ( 4.8A)
 1.42A 4djfA-4drsA:
13.4		 4djfA-4drsA:
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.
4ga6 PUTATIVE THYMIDINE
PHOSPHORYLASE

(Thermococcus
kodakarensis) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		5 ILE A 279
ASP A 280
GLY A 167
ARG A 431
ILE A 166
 None
None
AMP  A 601 ( 3.7A)
None
None
 1.38A 4djfA-4ga6A:
undetectable		 4djfA-4ga6A:
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.
4hz8 BETA-GLUCOSIDASE

(uncultured
bacterium) 		PF00232
(Glyco_hydro_1) 		5 GLU A 286
ILE A 383
GLY A 373
ARG A 278
ILE A 374
 None
 1.47A 4djfA-4hz8A:
9.0		 4djfA-4hz8A:
20.45
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.
4leh BILE ACID 7-ALPHA
DEHYDRATASE, BAIE

([Clostridium]
scindens) 		PF13577
(SnoaL_4) 		5 ILE A 161
GLY A 122
ASN A 124
ARG A 149
ILE A 112
 None
 1.47A 4djfA-4lehA:
undetectable		 4djfA-4lehA:
19.93
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.
4lxy WLARD, A SUGAR
3N-FORMYL
TRANSFERASE

(Campylobacter
jejuni) 		PF00551
(Formyl_trans_N) 		5 ASN A 202
ASP A 260
GLY A 258
ASN A 245
ILE A 210
 None
 1.49A 4djfA-4lxyA:
undetectable		 4djfA-4lxyA:
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.
4m9d ADENYLOSUCCINATE
SYNTHETASE

(Bacillus
anthracis) 		PF00709
(Adenylsucc_synt) 		5 GLU A 295
ILE A 337
GLY A 307
SER A 270
GLN A  10
 None
 1.48A 4djfA-4m9dA:
undetectable		 4djfA-4m9dA:
18.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4o1e DIHYDROPTEROATE
SYNTHASE DHPS

(Desulfitobacterium
hafniense) 		PF00809
(Pterin_bind) 		7 ASN A  10
ILE A 121
ASP A 161
GLY A 196
ASN A 199
ARG A 207
ILE A 227
 C2F  A3000 ( 4.5A)
C2F  A3000 ( 4.1A)
C2F  A3000 (-3.5A)
C2F  A3000 (-3.5A)
C2F  A3000 ( 4.3A)
None
C2F  A3000 (-4.3A)
 1.00A 4djfA-4o1eA:
34.0		 4djfA-4o1eA:
32.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4o1e DIHYDROPTEROATE
SYNTHASE DHPS

(Desulfitobacterium
hafniense) 		PF00809
(Pterin_bind) 		6 ASN A  10
ILE A 121
GLY A 196
SER A 198
ARG A 207
ILE A 227
 C2F  A3000 ( 4.5A)
C2F  A3000 ( 4.1A)
C2F  A3000 (-3.5A)
C2F  A3000 ( 3.8A)
None
C2F  A3000 (-4.3A)
 1.25A 4djfA-4o1eA:
34.0		 4djfA-4o1eA:
32.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4o1e DIHYDROPTEROATE
SYNTHASE DHPS

(Desulfitobacterium
hafniense) 		PF00809
(Pterin_bind) 		6 GLU A   7
ASN A  10
ILE A 121
ASP A 161
GLY A 196
ILE A 227
 C2F  A3000 (-3.6A)
C2F  A3000 ( 4.5A)
C2F  A3000 ( 4.1A)
C2F  A3000 (-3.5A)
C2F  A3000 (-3.5A)
C2F  A3000 (-4.3A)
 0.47A 4djfA-4o1eA:
34.0		 4djfA-4o1eA:
32.31
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.
4oua LATENT FORM OF PPO4
TYROSINASE

(Agaricus
bisporus) 		PF00264
(Tyrosinase) 		5 PHE B 257
ILE B 522
GLY B 475
ASN B 245
ILE B 451
 None
 1.27A 4djfA-4ouaB:
undetectable		 4djfA-4ouaB:
19.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q7a N-ACETYL-ORNITHINE/N
-ACETYL-LYSINE
DEACETYLASE

(Sphaerobacter
thermophilus) 		PF01546
(Peptidase_M20) 		5 GLU A  29
GLY A 122
ASN A  54
ARG A 132
ILE A  72
 None
 1.39A 4djfA-4q7aA:
undetectable		 4djfA-4q7aA:
22.34
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.
4rrf THREONINE--TRNA
LIGASE

(Methanocaldococcus
jannaschii) 		PF08915
(tRNA-Thr_ED) 		5 ILE A 105
ASP A 101
GLY A  56
ASN A  53
ILE A  59
 None
 1.40A 4djfA-4rrfA:
undetectable		 4djfA-4rrfA:
17.47
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.
4v2x ENDO-BETA-1,4-GLUCAN
ASE (CELLULASE B)

(Bacillus
halodurans) 		PF00150
(Cellulase)
PF03442
(CBM_X2) 		5 ILE A 428
SER A 370
GLN A 310
ARG A 265
ILE A 373
 None
 1.30A 4djfA-4v2xA:
7.3		 4djfA-4v2xA:
18.59
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.
4yfa PROTEIN RELATED TO
PENICILLIN ACYLASE
PROTEIN RELATED TO
PENICILLIN ACYLASE

(Acidovorax sp.
MR-S7;
Acidovorax sp.
MR-S7) 		PF01804
(Penicil_amidase)
PF01804
(Penicil_amidase) 		5 ASN A 160
ASP C 206
GLY C 208
GLN C 256
ILE C 187
 None
 1.38A 4djfA-4yfaA:
undetectable		 4djfA-4yfaA:
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.
4zhj MG-CHELATASE SUBUNIT
CHLH

(Synechocystis
sp. PCC 6803) 		PF02514
(CobN-Mg_chel)
PF11965
(DUF3479) 		5 ASN A1107
ILE A 663
ASP A1044
GLY A1040
ASN A1097
 None
 1.16A 4djfA-4zhjA:
undetectable		 4djfA-4zhjA:
12.42
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.
5bn4 V-TYPE ATP SYNTHASE
ALPHA CHAIN
NEQ263

(Nanoarchaeum
equitans;
Nanoarchaeum
equitans) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N)
PF16886
(ATP-synt_ab_Xtn)
PF00006
(ATP-synt_ab) 		5 GLU A 331
ILE A  36
ASN A   8
ARG B 242
ILE A 332
 None
 1.47A 4djfA-5bn4A:
undetectable		 4djfA-5bn4A:
18.68
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.
5c9i PROTEIN RELATED TO
PENICILLIN ACYLASE

(Acidovorax sp.
MR-S7) 		PF01804
(Penicil_amidase) 		5 ASN A 160
ASP A 408
GLY A 410
GLN A 458
ILE A 389
 None
 1.41A 4djfA-5c9iA:
undetectable		 4djfA-5c9iA:
15.88
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.
5d8m METAGENOMIC CARBOXYL
ESTERASE MGS0156

(uncultured
organism) 		no annotation 5 GLU A 410
ILE A 226
ASP A 224
GLY A 160
SER A 157
 None
 1.44A 4djfA-5d8mA:
undetectable		 4djfA-5d8mA:
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.
5dfk PROBABLE FIMBRIAL
CHAPERONE ECPB

(Escherichia
coli) 		no annotation 5 ILE A 117
ASP A  94
SER A  70
ASN A  23
GLN A  68
 None
 1.44A 4djfA-5dfkA:
undetectable		 4djfA-5dfkA:
22.34
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.
5dji 3'-PHOSPHOADENOSINE
5'-PHOSPHATE
PHOSPHATASE

(Mycobacterium
tuberculosis) 		PF00459
(Inositol_P) 		5 MET A 249
GLY A 185
SER A 186
GLN A 208
ILE A 184
 None
AMP  A 303 (-3.6A)
None
AMP  A 303 (-4.1A)
None
 1.42A 4djfA-5djiA:
undetectable		 4djfA-5djiA:
21.54
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.
5ee5 BREFELDIN
A-INHIBITED GUANINE
NUCLEOTIDE-EXCHANGE
PROTEIN 1

(Homo sapiens) 		PF16213
(DCB) 		5 MET A 209
PHE A 206
ILE A 131
ASP A 128
GLY A 169
 None
 1.45A 4djfA-5ee5A:
undetectable		 4djfA-5ee5A:
21.80
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.
5fav CHOLINE
TRIMETHYLAMINE-LYASE

(Desulfovibrio
alaskensis) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 ASN A 212
ILE A 150
SER A 135
ARG A 100
ILE A 380
 None
 1.29A 4djfA-5favA:
undetectable		 4djfA-5favA:
16.44
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.
5fjj BETA-GLUCOSIDASE

(Aspergillus
oryzae) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 ASN A 316
ILE A 734
ASP A 730
ASN A 323
ILE A 326
 NAG  A1201 ( 2.0A)
None
None
NAG  A1301 (-2.0A)
None
 1.22A 4djfA-5fjjA:
5.5		 4djfA-5fjjA:
14.75
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.
5fxn THERMOLYSIN

(Bacillus
thermoproteolyticus) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		5 GLU A 177
ASN A 183
ASP A  72
GLY A 136
ILE A 137
 CA  A1321 ( 2.3A)
None
None
None
None
 1.34A 4djfA-5fxnA:
undetectable		 4djfA-5fxnA:
22.32
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.
5gw5 T-COMPLEX PROTEIN 1
SUBUNIT THETA

(Saccharomyces
cerevisiae) 		PF00118
(Cpn60_TCP1) 		5 GLU q 290
ILE q 299
GLY q 345
GLN q 283
ILE q 291
 None
 1.47A 4djfA-5gw5q:
undetectable		 4djfA-5gw5q:
19.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hxs SODIUM,CALCIUM
EXCHANGER

(Methanocaldococcus
jannaschii) 		PF01699
(Na_Ca_ex) 		5 GLU A 257
ILE A 241
ASP A 240
GLY A  76
ILE A  75
 None
None
SR  A 401 ( 4.7A)
None
None
 1.48A 4djfA-5hxsA:
undetectable		 4djfA-5hxsA:
21.50
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.
5hxt (2Z,6Z)-FARNESYL
DIPHOSPHATE
SYNTHASE,
CHLOROPLASTIC

(Solanum
habrochaites) 		PF01255
(Prenyltransf) 		5 GLU A 133
ILE A 207
ASP A 206
GLY A 202
SER A 131
 None
None
None
None
IPR  A 403 (-2.9A)
 1.39A 4djfA-5hxtA:
undetectable		 4djfA-5hxtA:
23.29
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.
5hy3 MRNA
ENDORIBONUCLEASE
LSOA
ANTITOXIN DMD

(Escherichia
coli;
Escherichia
virus T4) 		PF15935
(RnlA_toxin)
PF17587
(Dmd) 		5 ILE A 214
ASP A 213
SER A 163
ASN A 166
GLN B  30
 None
 1.31A 4djfA-5hy3A:
undetectable		 4djfA-5hy3A:
21.25
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.
5mlg RENIN

(Rattus
norvegicus) 		no annotation 5 ASN A  57
ILE A 346
ASP A 345
GLY A 343
ASN A 294
 None
 1.37A 4djfA-5mlgA:
undetectable		 4djfA-5mlgA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mm7 -

(-) 		no annotation 5 PHE K 144
ILE K 208
GLN K 108
ARG K 106
ILE K 420
 None
 1.33A 4djfA-5mm7K:
undetectable		 4djfA-5mm7K:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mzs FERRIC ENTEROBACTIN
RECEPTOR

(Pseudomonas
aeruginosa) 		no annotation 5 ASN A  97
ILE A 533
GLY A 105
ASN A  62
GLN A  73
 None
 1.14A 4djfA-5mzsA:
undetectable		 4djfA-5mzsA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ofb MORC FAMILY CW-TYPE
ZINC FINGER PROTEIN
2

(Homo sapiens) 		no annotation 5 PHE B 240
GLY B 107
GLN B 428
ARG B 389
ILE B 111
 None
 1.45A 4djfA-5ofbB:
undetectable		 4djfA-5ofbB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE

(Thermus
thermophilus) 		no annotation 8 GLU A 373
ASN A 376
ASP A 531
GLY A 570
SER A 572
ASN A 573
ARG A 583
ILE A 603
 C2F  A3001 (-3.7A)
NA  A3005 (-3.0A)
C2F  A3001 (-2.5A)
C2F  A3001 (-3.5A)
C2F  A3001 ( 4.5A)
C2F  A3001 (-2.6A)
C2F  A3001 (-3.0A)
C2F  A3001 (-3.5A)
 0.33A 4djfA-5vopA:
30.3		 4djfA-5vopA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xl6 HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		5 ASP A 282
GLY A 284
ASN A  43
GLN A  42
ILE A 270
 None
 0.95A 4djfA-5xl6A:
undetectable		 4djfA-5xl6A:
21.25
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.
5ze3 LYSYL OXIDASE
HOMOLOG 2

(Homo sapiens) 		no annotation 5 ASN A 553
ILE A 388
ASP A 419
GLY A 384
ASN A 606
 None
 1.33A 4djfA-5ze3A:
undetectable		 4djfA-5ze3A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5znn SORTILIN

(Mus musculus) 		no annotation 5 GLU A 638
PHE A 640
ILE A 716
ASP A 670
GLY A 635
 None
 1.48A 4djfA-5znnA:
undetectable		 4djfA-5znnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6epe PROTEASOME SUBUNIT
BETA TYPE-1

(Rattus
norvegicus) 		no annotation 5 GLU 6 138
PHE 6  84
ILE 6  49
ASP 6  46
GLY 6  44
 None
 1.41A 4djfA-6epe6:
undetectable		 4djfA-6epe6:
undetectable