SIMILAR PATTERNS OF AMINO ACIDS FOR 1YKI_D_NFZD4219_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.
1d4e FLAVOCYTOCHROME C
FUMARATE REDUCTASE

(Shewanella
oneidensis) 		PF00890
(FAD_binding_2)
PF14537
(Cytochrom_c3_2) 		4 ASN A 388
LYS A 412
GLU A 459
GLY A 391
 None
 0.64A 1ykiC-1d4eA:
0.0
1ykiD-1d4eA:
undetectable		 1ykiC-1d4eA:
17.83
1ykiD-1d4eA:
17.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dkp PHYTASE

(Escherichia
coli) 		PF00328
(His_Phos_2) 		4 THR A 156
PHE A 155
TYR A 255
PHE A 254
 None
None
None
IHP  A 550 (-4.4A)
 0.98A 1ykiC-1dkpA:
0.0
1ykiD-1dkpA:
0.0		 1ykiC-1dkpA:
20.74
1ykiD-1dkpA:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dq3 ENDONUCLEASE

(Pyrococcus
furiosus) 		PF09061
(Stirrup)
PF09062
(Endonuc_subdom)
PF14528
(LAGLIDADG_3)
PF14890
(Intein_splicing) 		4 THR A 435
TYR A  52
PHE A  10
GLY A  66
 None
 1.07A 1ykiC-1dq3A:
undetectable
1ykiD-1dq3A:
undetectable		 1ykiC-1dq3A:
18.34
1ykiD-1dq3A:
18.34
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.
1h4r MERLIN

(Homo sapiens) 		PF00373
(FERM_M)
PF09379
(FERM_N)
PF09380
(FERM_C) 		4 THR A  28
PHE A  96
PHE A  61
GLY A  63
 None
 1.08A 1ykiC-1h4rA:
0.0
1ykiD-1h4rA:
0.0		 1ykiC-1h4rA:
23.46
1ykiD-1h4rA:
23.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1idt MINOR FMN-DEPENDENT
NITROREDUCTASE

(Escherichia
coli) 		PF00881
(Nitroreductase) 		5 TYR A  68
ASN A  71
LYS A  74
GLU A 165
GLY A 166
 None
FMN  A1218 (-3.4A)
FMN  A1218 (-2.7A)
FMN  A1218 (-3.5A)
FMN  A1218 (-3.6A)
 0.65A 1ykiC-1idtA:
34.1
1ykiD-1idtA:
34.1		 1ykiC-1idtA:
100.00
1ykiD-1idtA:
100.00
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.
1nxb NEUROTOXIN B

(Laticauda
semifasciata) 		PF00087
(Toxin_TOLIP) 		4 THR A  13
TYR A  25
ASN A  61
GLY A  40
 None
 1.02A 1ykiC-1nxbA:
undetectable
1ykiD-1nxbA:
undetectable		 1ykiC-1nxbA:
11.85
1ykiD-1nxbA:
11.85
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.
1prn PORIN

(Rhodobacter
blasticus) 		PF13609
(Porin_4) 		4 PHE A 202
TYR A 230
ASN A 229
GLY A 206
 None
 1.06A 1ykiC-1prnA:
0.0
1ykiD-1prnA:
0.0		 1ykiC-1prnA:
23.13
1ykiD-1prnA:
23.13
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.
1rcl RIBONUCLEASE F1

(Fusarium
fujikuroi) 		PF00545
(Ribonuclease) 		4 THR A  90
TYR A  85
PHE A  59
GLY A  87
 None
PCA  A   1 ( 3.5A)
None
None
 1.08A 1ykiC-1rclA:
0.0
1ykiD-1rclA:
0.0		 1ykiC-1rclA:
17.54
1ykiD-1rclA:
17.54
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.
1rrh SEED LIPOXYGENASE-3

(Glycine max) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 THR A  80
PHE A  53
GLU A  83
GLY A  84
 None
 1.03A 1ykiC-1rrhA:
undetectable
1ykiD-1rrhA:
0.0		 1ykiC-1rrhA:
14.00
1ykiD-1rrhA:
14.00
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.
1s4y ACTIVIN RECEPTOR
TYPE IIB PRECURSOR

(Mus musculus) 		PF01064
(Activin_recp) 		4 TYR A  38
PHE A  91
ASN A  88
GLY A  54
 None
 1.02A 1ykiC-1s4yA:
undetectable
1ykiD-1s4yA:
undetectable		 1ykiC-1s4yA:
21.35
1ykiD-1s4yA:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xew SMC PROTEIN

(Pyrococcus
furiosus) 		PF02463
(SMC_N) 		4 THR X 131
TYR X 140
ASN X 141
GLY X 139
 None
 0.85A 1ykiC-1xewX:
undetectable
1ykiD-1xewX:
undetectable		 1ykiC-1xewX:
21.61
1ykiD-1xewX:
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.
1yj8 GLYCEROL-3-PHOSPHATE
DEHYDROGENASE

(Plasmodium
falciparum) 		PF01210
(NAD_Gly3P_dh_N)
PF07479
(NAD_Gly3P_dh_C) 		4 THR A 141
TYR A  81
ASN A  31
GLY A  30
 None
 0.99A 1ykiC-1yj8A:
undetectable
1ykiD-1yj8A:
undetectable		 1ykiC-1yj8A:
19.84
1ykiD-1yj8A:
19.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z3v CELLULASE

(Phanerochaete
chrysosporium) 		PF00840
(Glyco_hydro_7) 		4 TYR A 155
PHE A 179
ASN A 158
GLY A 151
 None
PCA  A   1 ( 3.6A)
PCA  A   1 ( 3.6A)
None
 1.02A 1ykiC-1z3vA:
undetectable
1ykiD-1z3vA:
undetectable		 1ykiC-1z3vA:
17.91
1ykiD-1z3vA:
17.91
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.
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca sexta) 		PF00135
(COesterase) 		4 PHE A 466
PHE A 451
GLU A 359
GLY A 470
 None
 0.99A 1ykiC-2fj0A:
undetectable
1ykiD-2fj0A:
undetectable		 1ykiC-2fj0A:
18.11
1ykiD-2fj0A:
18.11
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.
2fqh HYPOTHETICAL PROTEIN
TA0938

(Thermoplasma
acidophilum) 		PF11494
(Ta0938) 		4 PHE A  50
ASN A  52
GLU A  37
GLY A  36
 None
 0.88A 1ykiC-2fqhA:
undetectable
1ykiD-2fqhA:
undetectable		 1ykiC-2fqhA:
19.16
1ykiD-2fqhA:
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.
2gah HETEROTETRAMERIC
SARCOSINE OXIDASE
DELTA-SUBUNIT

(Stenotrophomonas
maltophilia) 		PF04267
(SoxD) 		4 THR D  73
PHE D  53
GLU D  55
GLY D  21
 None
 1.08A 1ykiC-2gahD:
undetectable
1ykiD-2gahD:
undetectable		 1ykiC-2gahD:
19.23
1ykiD-2gahD:
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.
2h7z IRDITOXIN SUBUNIT B

(Boiga
irregularis) 		PF00087
(Toxin_TOLIP) 		4 TYR B  35
ASN B  75
GLU B  12
GLY B  52
 None
 0.94A 1ykiC-2h7zB:
undetectable
1ykiD-2h7zB:
undetectable		 1ykiC-2h7zB:
14.55
1ykiD-2h7zB:
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.
2nm1 BOTULINUM NEUROTOXIN
TYPE B

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		4 PHE A1053
ASN A1000
GLU A1287
GLY A1288
 None
 0.77A 1ykiC-2nm1A:
undetectable
1ykiD-2nm1A:
undetectable		 1ykiC-2nm1A:
17.01
1ykiD-2nm1A:
17.01
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.
2np0 BOTULINUM NEUROTOXIN
TYPE B

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N) 		4 PHE A1052
ASN A 999
GLU A1286
GLY A1287
 None
 0.81A 1ykiC-2np0A:
undetectable
1ykiD-2np0A:
undetectable		 1ykiC-2np0A:
9.70
1ykiD-2np0A:
9.70
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.
2o6l UDP-GLUCURONOSYLTRAN
SFERASE 2B7

(Homo sapiens) 		PF00201
(UDPGT) 		4 TYR A 438
ASN A 441
LYS A 444
GLY A 410
 None
 0.91A 1ykiC-2o6lA:
undetectable
1ykiD-2o6lA:
undetectable		 1ykiC-2o6lA:
21.10
1ykiD-2o6lA:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o8v PHOSPHOADENOSINE
PHOSPHOSULFATE
REDUCTASE

(Escherichia
coli) 		PF01507
(PAPS_reduct) 		4 THR A  77
TYR A  81
PHE A  83
GLY A  80
 None
 1.03A 1ykiC-2o8vA:
undetectable
1ykiD-2o8vA:
undetectable		 1ykiC-2o8vA:
21.60
1ykiD-2o8vA:
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.
2p2s PUTATIVE
OXIDOREDUCTASE

(Pectobacterium
atrosepticum) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 THR A 150
PHE A 187
ASN A 226
GLY A 224
 None
 0.89A 1ykiC-2p2sA:
undetectable
1ykiD-2p2sA:
undetectable		 1ykiC-2p2sA:
20.51
1ykiD-2p2sA:
20.51
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.
2vdv TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF02390
(Methyltransf_4) 		4 THR E 282
PHE E 277
GLU E 211
GLY E 212
 None
 1.05A 1ykiC-2vdvE:
undetectable
1ykiD-2vdvE:
undetectable		 1ykiC-2vdvE:
19.92
1ykiD-2vdvE:
19.92
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.
2vra ROUNDABOUT 1

(Drosophila
melanogaster) 		PF07679
(I-set) 		4 TYR A 231
ASN A 230
GLU A 228
GLY A 229
 None
 0.91A 1ykiC-2vraA:
undetectable
1ykiD-2vraA:
undetectable		 1ykiC-2vraA:
22.98
1ykiD-2vraA:
22.98
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.
2vxr BOTULINUM NEUROTOXIN
TYPE G

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		4 PHE A1061
ASN A1007
GLU A1293
GLY A1294
 None
None
None
GOL  A2005 (-3.6A)
 0.78A 1ykiC-2vxrA:
undetectable
1ykiD-2vxrA:
undetectable		 1ykiC-2vxrA:
16.02
1ykiD-2vxrA:
16.02
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.
2xe4 OLIGOPEPTIDASE B

(Leishmania
major) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		4 TYR A 181
PHE A 171
GLU A 205
GLY A 204
 None
 0.90A 1ykiC-2xe4A:
undetectable
1ykiD-2xe4A:
undetectable		 1ykiC-2xe4A:
14.21
1ykiD-2xe4A:
14.21
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.
2y23 MYOMESIN

(Homo sapiens) 		PF07679
(I-set) 		4 PHE A1418
ASN A1373
GLU A1371
GLY A1370
 None
 1.06A 1ykiC-2y23A:
undetectable
1ykiD-2y23A:
undetectable		 1ykiC-2y23A:
23.35
1ykiD-2y23A:
23.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yok EXOGLUCANASE 1

(Trichoderma
harzianum) 		PF00840
(Glyco_hydro_7) 		4 TYR A 171
PHE A 195
ASN A 174
GLY A 167
 None
PCA  A  18 ( 3.7A)
PCA  A  18 ( 3.6A)
None
 1.09A 1ykiC-2yokA:
undetectable
1ykiD-2yokA:
undetectable		 1ykiC-2yokA:
18.25
1ykiD-2yokA:
18.25
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.
3dev SH1221

(Staphylococcus
haemolyticus) 		PF01368
(DHH)
PF02272
(DHHA1) 		4 THR A 167
PHE A 162
TYR A 152
PHE A 131
 None
 1.02A 1ykiC-3devA:
undetectable
1ykiD-3devA:
undetectable		 1ykiC-3devA:
20.86
1ykiD-3devA:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fdb PUTATIVE
PLP-DEPENDENT
BETA-CYSTATHIONASE

(Corynebacterium
diphtheriae) 		PF00155
(Aminotran_1_2) 		4 THR A 376
PHE A 315
GLU A 321
GLY A 322
 None
None
None
EDO  A 388 (-4.2A)
 1.03A 1ykiC-3fdbA:
undetectable
1ykiD-3fdbA:
undetectable		 1ykiC-3fdbA:
22.34
1ykiD-3fdbA:
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.
3fvc GLYCOPROTEIN GP110

(Human
gammaherpesvirus
4) 		PF00606
(Glycoprotein_B)
PF17416
(Glycoprot_B_PH1)
PF17417
(Glycoprot_B_PH2) 		4 THR A 306
PHE A 303
GLU A 321
GLY A 322
 None
 1.04A 1ykiC-3fvcA:
undetectable
1ykiD-3fvcA:
undetectable		 1ykiC-3fvcA:
14.95
1ykiD-3fvcA:
14.95
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.
3hh7 MUSCARINIC
TOXIN-LIKE PROTEIN 3
HOMOLOG

(Ophiophagus
hannah) 		PF00087
(Toxin_TOLIP) 		4 THR A  13
TYR A  25
ASN A  64
GLY A  40
 None
 0.99A 1ykiC-3hh7A:
undetectable
1ykiD-3hh7A:
undetectable		 1ykiC-3hh7A:
14.62
1ykiD-3hh7A:
14.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3hzn OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE

(Salmonella
enterica) 		PF00881
(Nitroreductase) 		5 TYR A  68
ASN A  71
LYS A  74
GLU A 165
GLY A 166
 None
MLI  A 226 (-2.8A)
MLI  A 226 (-3.4A)
None
MLI  A 226 (-3.3A)
 0.74A 1ykiC-3hznA:
33.6
1ykiD-3hznA:
33.5		 1ykiC-3hznA:
88.48
1ykiD-3hznA:
88.48
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.
3i44 ALDEHYDE
DEHYDROGENASE

(Bartonella
henselae) 		PF00171
(Aldedh) 		4 TYR A   8
PHE A   7
LYS A  46
GLY A  11
 None
 1.09A 1ykiC-3i44A:
undetectable
1ykiD-3i44A:
undetectable		 1ykiC-3i44A:
19.82
1ykiD-3i44A:
19.82
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.
3j8f POLIOVIRUS RECEPTOR

(Homo sapiens) 		PF07686
(V-set)
PF08205
(C2-set_2) 		4 TYR 7 121
ASN 7 120
GLU 7 118
GLY 7 119
 None
NAG  7 504 ( 1.8A)
None
NAG  7 504 ( 3.9A)
 0.91A 1ykiC-3j8f7:
undetectable
1ykiD-3j8f7:
undetectable		 1ykiC-3j8f7:
17.38
1ykiD-3j8f7:
17.38
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.
3j9f POLIOVIRUS RECEPTOR

(Homo sapiens) 		PF07686
(V-set) 		4 TYR 7 121
ASN 7 120
GLU 7 118
GLY 7 119
 None
NAG  7 404 ( 1.4A)
NAG  7 404 ( 4.4A)
NAG  7 404 (-3.6A)
 0.83A 1ykiC-3j9f7:
undetectable
1ykiD-3j9f7:
undetectable		 1ykiC-3j9f7:
17.65
1ykiD-3j9f7:
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.
3k7x LIN0763 PROTEIN

(Listeria
innocua) 		PF03663
(Glyco_hydro_76) 		4 TYR A 274
PHE A 275
GLU A 224
GLY A 220
 None
 1.09A 1ykiC-3k7xA:
undetectable
1ykiD-3k7xA:
undetectable		 1ykiC-3k7xA:
21.91
1ykiD-3k7xA:
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.
3lm2 PUTATIVE KINASE

(Agrobacterium
fabrum) 		PF00480
(ROK) 		4 THR A 120
TYR A  61
ASN A  98
GLY A  63
 None
 0.81A 1ykiC-3lm2A:
undetectable
1ykiD-3lm2A:
undetectable		 1ykiC-3lm2A:
20.52
1ykiD-3lm2A:
20.52
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.
3mpp BOTULINUM NEUROTOXIN
TYPE G

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		4 PHE G1061
ASN G1007
GLU G1293
GLY G1294
 None
 0.78A 1ykiC-3mppG:
undetectable
1ykiD-3mppG:
undetectable		 1ykiC-3mppG:
17.81
1ykiD-3mppG:
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.
3ogg BOTULINUM NEUROTOXIN
TYPE D

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		4 TYR A1014
ASN A1010
GLU A1030
GLY A1013
 None
 0.77A 1ykiC-3oggA:
undetectable
1ykiD-3oggA:
undetectable		 1ykiC-3oggA:
17.92
1ykiD-3oggA:
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.
3plr UDP-GLUCOSE
6-DEHYDROGENASE

(Klebsiella
pneumoniae) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		4 THR A 381
PHE A 211
ASN A 212
GLY A 248
 None
 1.07A 1ykiC-3plrA:
undetectable
1ykiD-3plrA:
undetectable		 1ykiC-3plrA:
20.14
1ykiD-3plrA:
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.
3slt SERINE PROTEASE ESPP

(Escherichia
coli) 		PF03797
(Autotransporter) 		4 THR A1222
PHE A1296
ASN A1295
GLY A1030
 None
 0.93A 1ykiC-3sltA:
undetectable
1ykiD-3sltA:
undetectable		 1ykiC-3sltA:
22.80
1ykiD-3sltA:
22.80
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.
3u4c BACILYSIN
BIOSYNTHESIS
OXIDOREDUCTASE YWFH

(Bacillus
subtilis) 		PF13561
(adh_short_C2) 		4 THR A 111
PHE A 152
ASN A 154
GLY A  93
 None
 1.00A 1ykiC-3u4cA:
undetectable
1ykiD-3u4cA:
undetectable		 1ykiC-3u4cA:
20.76
1ykiD-3u4cA:
20.76
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.
3w6q TYROSINASE

(Aspergillus
oryzae) 		PF00264
(Tyrosinase) 		4 TYR A  97
PHE A  99
GLU A 296
GLY A 295
 None
 0.96A 1ykiC-3w6qA:
undetectable
1ykiD-3w6qA:
undetectable		 1ykiC-3w6qA:
16.40
1ykiD-3w6qA:
16.40
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.
3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Actinomadura
sp. R39) 		PF02113
(Peptidase_S13) 		4 THR A 237
PHE A 162
ASN A 299
GLY A 301
 None
 0.99A 1ykiC-3zvtA:
undetectable
1ykiD-3zvtA:
undetectable		 1ykiC-3zvtA:
18.66
1ykiD-3zvtA:
18.66
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.
4a01 PROTON
PYROPHOSPHATASE

(Vigna radiata) 		PF03030
(H_PPase) 		4 THR A 635
PHE A  88
PHE A 240
GLY A 245
 None
 0.89A 1ykiC-4a01A:
undetectable
1ykiD-4a01A:
undetectable		 1ykiC-4a01A:
14.99
1ykiD-4a01A:
14.99
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.
4are COLLAGENASE G

(Hathewaya
histolytica) 		PF01752
(Peptidase_M9)
PF08453
(Peptidase_M9_N) 		4 THR A 594
PHE A 606
ASN A 548
GLY A 598
 None
 1.00A 1ykiC-4areA:
undetectable
1ykiD-4areA:
undetectable		 1ykiC-4areA:
16.01
1ykiD-4areA:
16.01
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.
4csi CELLULASE

(Humicola grisea) 		PF00840
(Glyco_hydro_7) 		4 TYR A 159
PHE A 183
ASN A 162
GLY A 155
 None
PCA  A   1 ( 3.6A)
PCA  A   1 ( 3.7A)
None
 1.05A 1ykiC-4csiA:
undetectable
1ykiD-4csiA:
undetectable		 1ykiC-4csiA:
18.14
1ykiD-4csiA:
18.14
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.
4ddq DNA GYRASE SUBUNIT A

(Bacillus
subtilis) 		PF00521
(DNA_topoisoIV) 		4 PHE A 479
ASN A 480
GLU A 190
GLY A 189
 None
 0.96A 1ykiC-4ddqA:
undetectable
1ykiD-4ddqA:
undetectable		 1ykiC-4ddqA:
19.35
1ykiD-4ddqA:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dgk PHYTOENE
DEHYDROGENASE

(Pantoea
ananatis) 		PF01593
(Amino_oxidase) 		4 THR A 358
PHE A 215
PHE A  50
GLY A 219
 EDO  A 601 (-3.4A)
None
None
None
 0.95A 1ykiC-4dgkA:
undetectable
1ykiD-4dgkA:
undetectable		 1ykiC-4dgkA:
19.28
1ykiD-4dgkA:
19.28
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.
4eyg TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL

(Rhodopseudomonas
palustris) 		PF13458
(Peripla_BP_6) 		4 ASN A 360
LYS A 380
GLU A 342
GLY A 346
 None
 1.09A 1ykiC-4eygA:
undetectable
1ykiD-4eygA:
undetectable		 1ykiC-4eygA:
21.93
1ykiD-4eygA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f4c MULTIDRUG RESISTANCE
PROTEIN PGP-1

(Caenorhabditis
elegans) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		4 THR A 239
PHE A 228
PHE A  17
GLY A 365
 None
 0.98A 1ykiC-4f4cA:
undetectable
1ykiD-4f4cA:
undetectable		 1ykiC-4f4cA:
11.54
1ykiD-4f4cA:
11.54
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.
4fao ACTIVIN RECEPTOR
TYPE-2B

(Homo sapiens) 		PF01064
(Activin_recp) 		4 TYR E  42
PHE E  95
ASN E  92
GLY E  58
 None
 1.01A 1ykiC-4faoE:
undetectable
1ykiD-4faoE:
undetectable		 1ykiC-4faoE:
18.36
1ykiD-4faoE:
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.
4fmk POLIOVIRUS
RECEPTOR-RELATED
PROTEIN 2

(Mus musculus) 		PF07686
(V-set)
PF08205
(C2-set_2) 		4 TYR A 129
ASN A 128
GLU A 126
GLY A 127
 None
NAG  A 307 (-1.9A)
None
NAG  A 307 ( 3.9A)
 0.88A 1ykiC-4fmkA:
undetectable
1ykiD-4fmkA:
undetectable		 1ykiC-4fmkA:
21.05
1ykiD-4fmkA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4haq GH7 FAMILY PROTEIN

(Limnoria
quadripunctata) 		PF00840
(Glyco_hydro_7) 		4 TYR A 179
PHE A 203
ASN A 182
GLY A 175
 None
PCA  A  23 ( 3.7A)
PCA  A  23 ( 3.3A)
None
 1.05A 1ykiC-4haqA:
undetectable
1ykiD-4haqA:
undetectable		 1ykiC-4haqA:
19.54
1ykiD-4haqA:
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.
4hxx METHIONINE
AMINOPEPTIDASE 1

(Homo sapiens) 		PF00557
(Peptidase_M24) 		4 TYR A 196
PHE A 198
ASN A 197
GLY A 123
 None
1AY  A 405 (-3.4A)
None
None
 1.08A 1ykiC-4hxxA:
undetectable
1ykiD-4hxxA:
undetectable		 1ykiC-4hxxA:
21.07
1ykiD-4hxxA:
21.07
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.
4mnr PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Eggerthella
lenta) 		PF00905
(Transpeptidase) 		4 THR A 216
PHE A 220
ASN A 219
GLY A 208
 None
 1.03A 1ykiC-4mnrA:
undetectable
1ykiD-4mnrA:
undetectable		 1ykiC-4mnrA:
20.00
1ykiD-4mnrA:
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.
4mwt LYSOSOMAL PROTECTIVE
PROTEIN

(Homo sapiens) 		PF00450
(Peptidase_S10) 		4 TYR A 367
PHE A 377
GLU A 149
GLY A 177
 TYR  A 367 ( 1.3A)
PHE  A 377 ( 1.3A)
GLU  A 149 ( 0.5A)
GLY  A 177 ( 0.0A)
 0.98A 1ykiC-4mwtA:
undetectable
1ykiD-4mwtA:
undetectable		 1ykiC-4mwtA:
16.78
1ykiD-4mwtA:
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.
4n80 UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		no annotation 4 THR A 274
PHE A 318
ASN A 319
GLY A 277
 None
 1.09A 1ykiC-4n80A:
undetectable
1ykiD-4n80A:
undetectable		 1ykiC-4n80A:
20.84
1ykiD-4n80A:
20.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nme PROLINE
DEHYDROGENASE AND
DELTA-1-PYRROLINE-5-
CARBOXYLATE
DEHYDROGENASE

(Geobacter
sulfurreducens) 		PF00171
(Aldedh)
PF01619
(Pro_dh) 		4 PHE A 706
ASN A 705
GLU A 701
GLY A 702
 None
None
None
EDO  A1107 (-4.3A)
 1.00A 1ykiC-4nmeA:
undetectable
1ykiD-4nmeA:
undetectable		 1ykiC-4nmeA:
12.71
1ykiD-4nmeA:
12.71
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.
4nqy ISOPROPYLMALATE/CITR
AMALATE ISOMERASE
LARGE SUBUNIT

(Methanocaldococcus
jannaschii) 		PF00330
(Aconitase) 		4 PHE A 162
ASN A 163
GLU A 200
GLY A 199
 None
 1.09A 1ykiC-4nqyA:
undetectable
1ykiD-4nqyA:
undetectable		 1ykiC-4nqyA:
18.47
1ykiD-4nqyA:
18.47
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.
4py4 POLY [ADP-RIBOSE]
POLYMERASE 14

(Homo sapiens) 		PF00644
(PARP) 		4 THR A1713
PHE A1697
TYR A1739
PHE A1681
 None
 1.06A 1ykiC-4py4A:
undetectable
1ykiD-4py4A:
undetectable		 1ykiC-4py4A:
21.93
1ykiD-4py4A:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tqv ALGM1

(Sphingomonas
sp.) 		PF00528
(BPD_transp_1) 		4 THR A 272
PHE A 184
TYR A 260
PHE A 258
 None
 0.84A 1ykiC-4tqvA:
undetectable
1ykiD-4tqvA:
undetectable		 1ykiC-4tqvA:
22.01
1ykiD-4tqvA:
22.01
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.
4url DNA TOPOISOMERASE
IV, B SUBUNIT

(Staphylococcus
aureus) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		5 TYR A 262
ASN A 263
LYS A 238
GLU A 321
GLY A 322
 None
 1.33A 1ykiC-4urlA:
undetectable
1ykiD-4urlA:
undetectable		 1ykiC-4urlA:
21.25
1ykiD-4urlA:
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.
4wpg DTDP-4-DEHYDRORHAMNO
SE REDUCTASE

(Streptococcus
pyogenes) 		PF04321
(RmlD_sub_bind) 		4 PHE A 277
PHE A 161
ASN A 160
GLY A 155
 None
 0.93A 1ykiC-4wpgA:
undetectable
1ykiD-4wpgA:
undetectable		 1ykiC-4wpgA:
22.59
1ykiD-4wpgA:
22.59
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.
4xeb GLUCANASE

(Talaromyces
funiculosus) 		PF00840
(Glyco_hydro_7) 		4 TYR A 155
PHE A 179
ASN A 158
GLY A 151
 None
PCA  A   1 ( 3.7A)
PCA  A   1 ( 3.7A)
None
 1.06A 1ykiC-4xebA:
undetectable
1ykiD-4xebA:
undetectable		 1ykiC-4xebA:
18.18
1ykiD-4xebA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a42 UNCHARACTERIZED
LIPOPROTEIN YFHM

(Escherichia
coli) 		PF00207
(A2M)
PF01835
(A2M_N)
PF07703
(A2M_N_2)
PF11974
(MG1) 		4 THR A1004
PHE A1008
PHE A 388
GLY A 414
 None
 1.08A 1ykiC-5a42A:
undetectable
1ykiD-5a42A:
undetectable		 1ykiC-5a42A:
9.00
1ykiD-5a42A:
9.00
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.
5aca VP1

(Foot-and-mouth
disease virus) 		PF00073
(Rhv) 		4 TYR 1 130
ASN 1 131
GLU 1 133
GLY 1 132
 None
 0.95A 1ykiC-5aca1:
undetectable
1ykiD-5aca1:
undetectable		 1ykiC-5aca1:
18.88
1ykiD-5aca1:
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.
5fbu PHOSPHOENOLPYRUVATE
SYNTHASE

(Listeria
monocytogenes) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N) 		4 THR A 523
PHE A 678
ASN A 675
GLY A 672
 None
 0.95A 1ykiC-5fbuA:
undetectable
1ykiD-5fbuA:
undetectable		 1ykiC-5fbuA:
14.17
1ykiD-5fbuA:
14.17
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.
5fcd MCCD

(Escherichia
coli) 		PF13649
(Methyltransf_25) 		4 THR A 118
PHE A 114
GLU A  77
GLY A  78
 None
 0.96A 1ykiC-5fcdA:
undetectable
1ykiD-5fcdA:
undetectable		 1ykiC-5fcdA:
22.91
1ykiD-5fcdA:
22.91
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.
5flj QUERCETINASE QUED

(Streptomyces
sp. FLA) 		PF07883
(Cupin_2) 		4 THR A  41
PHE A  36
GLU A  59
GLY A  60
 None
QUE  A 301 (-4.5A)
None
None
 0.88A 1ykiC-5fljA:
undetectable
1ykiD-5fljA:
undetectable		 1ykiC-5fljA:
25.32
1ykiD-5fljA:
25.32
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.
5fv0 ESSC

(Geobacillus
thermodenitrificans) 		PF01580
(FtsK_SpoIIIE) 		4 THR A1425
PHE A1417
PHE A1409
GLY A1412
 None
 1.03A 1ykiC-5fv0A:
undetectable
1ykiD-5fv0A:
undetectable		 1ykiC-5fv0A:
17.65
1ykiD-5fv0A:
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.
5hke BILE SALT HYDROLASE

(Lactobacillus
salivarius) 		PF02275
(CBAH) 		4 TYR A  64
PHE A 100
GLU A  27
GLY A  55
 None
 1.04A 1ykiC-5hkeA:
undetectable
1ykiD-5hkeA:
undetectable		 1ykiC-5hkeA:
19.76
1ykiD-5hkeA:
19.76
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.
5hpl RSP5

(Saccharomyces
cerevisiae) 		PF00632
(HECT) 		4 THR A 740
PHE A 565
GLU A 685
GLY A 689
 None
 1.08A 1ykiC-5hplA:
undetectable
1ykiD-5hplA:
undetectable		 1ykiC-5hplA:
21.67
1ykiD-5hplA:
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.
5i1t STAGE II SPORULATION
PROTEIN D

(Clostridioides
difficile) 		PF08486
(SpoIID) 		4 TYR A 308
ASN A 238
GLU A 306
GLY A 307
 None
 1.06A 1ykiC-5i1tA:
undetectable
1ykiD-5i1tA:
undetectable		 1ykiC-5i1tA:
21.28
1ykiD-5i1tA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ig2 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Paraburkholderia
phymatum) 		PF00106
(adh_short) 		4 THR A  62
PHE A  88
ASN A  89
GLY A 121
 None
 1.02A 1ykiC-5ig2A:
undetectable
1ykiD-5ig2A:
undetectable		 1ykiC-5ig2A:
22.43
1ykiD-5ig2A:
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.
5inw PUTATIVE
ANGIOTENSINOGEN

(Lampetra
fluviatilis) 		PF00079
(Serpin) 		4 THR A 411
TYR A 161
PHE A 247
GLY A 171
 None
 0.91A 1ykiC-5inwA:
undetectable
1ykiD-5inwA:
undetectable		 1ykiC-5inwA:
21.88
1ykiD-5inwA:
21.88
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.
5j5p DNA TOPOISOMERASE 4
SUBUNIT B

(Streptococcus
pneumoniae) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		4 TYR A 263
ASN A 264
LYS A 239
GLY A 323
 None
 1.03A 1ykiC-5j5pA:
undetectable
1ykiD-5j5pA:
undetectable		 1ykiC-5j5pA:
19.90
1ykiD-5j5pA:
19.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5j8d OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE

(Enterobacter
cloacae) 		PF00881
(Nitroreductase) 		6 TYR A  68
PHE A  70
ASN A  71
LYS A  74
GLU A 165
GLY A 166
 DND  A 302 (-4.8A)
DND  A 302 ( 4.7A)
FMN  A 301 ( 3.1A)
DND  A 302 ( 2.8A)
FMN  A 301 (-3.6A)
FMN  A 301 (-3.5A)
 0.69A 1ykiC-5j8dA:
34.1
1ykiD-5j8dA:
33.8		 1ykiC-5j8dA:
87.96
1ykiD-5j8dA:
87.96
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.
5jou ALPHA-XYLOSIDASE
BOGH31A

(Bacteroides
ovatus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		4 TYR A 945
ASN A 946
GLU A 907
GLY A 947
 None
 0.92A 1ykiC-5jouA:
undetectable
1ykiD-5jouA:
undetectable		 1ykiC-5jouA:
12.96
1ykiD-5jouA:
12.96
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.
5jui CELL WALL SURFACE
ANCHOR FAMILY
PROTEIN

(Streptococcus
pneumoniae) 		no annotation 4 THR A 313
TYR A 318
PHE A 352
GLY A 317
 None
 0.98A 1ykiC-5juiA:
undetectable
1ykiD-5juiA:
undetectable		 1ykiC-5juiA:
18.42
1ykiD-5juiA:
18.42
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.
5l35 GENE 5 PROTEIN

(Shigella virus
Sf6) 		PF11651
(P22_CoatProtein) 		4 PHE A 359
ASN A 356
GLU A 163
GLY A 164
 None
 1.08A 1ykiC-5l35A:
undetectable
1ykiD-5l35A:
undetectable		 1ykiC-5l35A:
19.00
1ykiD-5l35A:
19.00
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.
5m28 MALE1

(Lactobacillus
casei) 		PF13416
(SBP_bac_8) 		4 THR A 181
ASN A  79
GLU A 112
GLY A 113
 None
 0.92A 1ykiC-5m28A:
undetectable
1ykiD-5m28A:
undetectable		 1ykiC-5m28A:
21.45
1ykiD-5m28A:
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.
5n0c TETANUS TOXIN

(Clostridium
tetani) 		PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N) 		4 TYR A 657
ASN A 660
GLU A 666
GLY A 663
 None
 1.01A 1ykiC-5n0cA:
undetectable
1ykiD-5n0cA:
undetectable		 1ykiC-5n0cA:
8.99
1ykiD-5n0cA:
8.99
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.
5n13 BROMODOMAIN-CONTAINI
NG FACTOR 1

(Candida
albicans) 		PF00439
(Bromodomain) 		4 PHE A 411
TYR A 465
PHE A 467
ASN A 468
 GOL  A 501 (-4.8A)
None
None
GOL  A 501 (-3.1A)
 0.99A 1ykiC-5n13A:
undetectable
1ykiD-5n13A:
undetectable		 1ykiC-5n13A:
23.35
1ykiD-5n13A:
23.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n40 PUTATIVE INVASIN

(Yersinia
pseudotuberculosis) 		PF05689
(DUF823)
PF09134
(Invasin_D3) 		4 TYR A2789
PHE A2713
ASN A2788
GLY A2787
 None
 1.07A 1ykiC-5n40A:
undetectable
1ykiD-5n40A:
undetectable		 1ykiC-5n40A:
19.77
1ykiD-5n40A:
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.
5n6v AMYLOSUCRASE

(Neisseria
polysaccharea) 		no annotation 4 THR A 398
PHE A 399
PHE A 417
GLY A 411
 None
None
GLC  A 704 ( 4.0A)
None
 1.09A 1ykiC-5n6vA:
undetectable
1ykiD-5n6vA:
undetectable		 1ykiC-5n6vA:
14.88
1ykiD-5n6vA:
14.88
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.
5nx2 GLUCAGON-LIKE
PEPTIDE 1 RECEPTOR

(Homo sapiens) 		PF00002
(7tm_2)
PF02793
(HRM) 		4 PHE A 321
ASN A 320
GLU A 247
GLY A 248
 None
 0.70A 1ykiC-5nx2A:
undetectable
1ykiD-5nx2A:
undetectable		 1ykiC-5nx2A:
18.62
1ykiD-5nx2A:
18.62
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.
5oev GLUTATHIONE
SYNTHETASE-LIKE
EFFECTOR 22
(GPA-GSS22-APO)

(Globodera
pallida) 		no annotation 4 THR A 167
TYR A 222
PHE A 224
GLY A 160
 None
 0.92A 1ykiC-5oevA:
undetectable
1ykiD-5oevA:
undetectable		 1ykiC-5oevA:
18.27
1ykiD-5oevA:
18.27
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.
5osn CAPSID PROTEIN

(Enterovirus E) 		PF00073
(Rhv) 		4 THR C 212
TYR B 214
PHE B 115
GLU B 213
 None
 1.03A 1ykiC-5osnC:
undetectable
1ykiD-5osnC:
undetectable		 1ykiC-5osnC:
22.64
1ykiD-5osnC:
22.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tr0 SEED LINOLEATE
13S-LIPOXYGENASE-1

(Glycine max) 		no annotation 4 THR A  62
PHE A  35
GLU A  65
GLY A  66
 None
 1.08A 1ykiC-5tr0A:
undetectable
1ykiD-5tr0A:
undetectable		 1ykiC-5tr0A:
14.68
1ykiD-5tr0A:
14.68
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.
5uin FORMYLTRANSFERASE

(Salmonella
enterica) 		PF00551
(Formyl_trans_N)
PF13637
(Ank_4) 		4 THR A 117
ASN A 211
GLU A 115
GLY A 114
 None
 1.10A 1ykiC-5uinA:
undetectable
1ykiD-5uinA:
undetectable		 1ykiC-5uinA:
18.59
1ykiD-5uinA:
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.
5uz7 CALCITONIN RECEPTOR

(Homo sapiens) 		PF00002
(7tm_2) 		4 PHE R 313
ASN R 312
GLU R 240
GLY R 241
 None
 0.84A 1ykiC-5uz7R:
undetectable
1ykiD-5uz7R:
undetectable		 1ykiC-5uz7R:
15.32
1ykiD-5uz7R:
15.32
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.
5w11 GLUCANASE

(Thermothelomyces
thermophila) 		no annotation 4 TYR A 159
PHE A 183
ASN A 162
GLY A 155
 None
PCA  A   1 ( 3.3A)
PCA  A   1 ( 3.7A)
None
 1.03A 1ykiC-5w11A:
undetectable
1ykiD-5w11A:
undetectable		 1ykiC-5w11A:
14.75
1ykiD-5w11A:
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.
5wy0 SMALL RNA
2'-O-METHYLTRANSFERA
SE

(Homo sapiens) 		no annotation 4 TYR A 192
PHE A 160
ASN A 134
GLY A 191
 None
 1.04A 1ykiC-5wy0A:
undetectable
1ykiD-5wy0A:
undetectable		 1ykiC-5wy0A:
16.67
1ykiD-5wy0A:
16.67
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.
5x6o DNA DAMAGE
CHECKPOINT PROTEIN
LCD1

(Saccharomyces
cerevisiae) 		no annotation 4 PHE G 488
TYR G 367
PHE G 369
GLY G 490
 None
 1.08A 1ykiC-5x6oG:
undetectable
1ykiD-5x6oG:
undetectable		 1ykiC-5x6oG:
14.76
1ykiD-5x6oG:
14.76
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.
5yvs ALCOHOL
DEHYDROGENASE

(candidate
divison MSBL1
archaeon
SCGC-AAA259E19) 		no annotation 4 THR A 167
PHE A 373
GLU A 128
GLY A 129
 None
 0.97A 1ykiC-5yvsA:
undetectable
1ykiD-5yvsA:
undetectable		 1ykiC-5yvsA:
17.06
1ykiD-5yvsA:
17.06
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.
6b3j GLUCAGON-LIKE
PEPTIDE 1 RECEPTOR

(Homo sapiens) 		no annotation 4 PHE R 321
ASN R 320
GLU R 247
GLY R 248
 None
 0.90A 1ykiC-6b3jR:
undetectable
1ykiD-6b3jR:
undetectable		 1ykiC-6b3jR:
13.82
1ykiD-6b3jR:
13.82
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.
6c08 ANTIBODY FAB HEAVY
CHAIN
ANTIBODY FAB LIGHT
CHAIN
SODIUM-COUPLED
NEUTRAL AMINO ACID
TRANSPORTER 9

(Danio rerio;
Mus musculus) 		no annotation 4 THR A  59
PHE C 338
GLU B  97
GLY B  96
 None
 1.06A 1ykiC-6c08A:
undetectable
1ykiD-6c08A:
undetectable		 1ykiC-6c08A:
20.11
1ykiD-6c08A:
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.
6czp OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE

(Vibrio
vulnificus) 		no annotation 4 ASN A  71
LYS A  74
GLU A 165
GLY A 166
 FMN  A 301 (-3.1A)
FMN  A 301 (-2.9A)
FMN  A 301 (-3.5A)
FMN  A 301 (-3.3A)
 0.73A 1ykiC-6czpA:
31.9
1ykiD-6czpA:
31.9		 1ykiC-6czpA:
27.75
1ykiD-6czpA:
27.75