SIMILAR PATTERNS OF AMINO ACIDS FOR 1YKI_A_NFZA1219_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
 0.65A 1ykiA-1d4eA:
undetectable
1ykiB-1d4eA:
0.0		 1ykiA-1d4eA:
17.83
1ykiB-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 TYR A 255
PHE A 254
THR A 156
PHE A 155
 None
IHP  A 550 (-4.4A)
None
None
 0.98A 1ykiA-1dkpA:
0.0
1ykiB-1dkpA:
0.0		 1ykiA-1dkpA:
20.74
1ykiB-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.
1feh PROTEIN (PERIPLASMIC
HYDROGENASE 1)

(Clostridium
pasteurianum) 		PF02256
(Fe_hyd_SSU)
PF02906
(Fe_hyd_lg_C)
PF12838
(Fer4_7)
PF13510
(Fer2_4) 		4 ASN A  41
GLY A 151
THR A 175
PHE A 168
 None
SF4  A 583 (-4.0A)
None
None
 1.08A 1ykiA-1fehA:
undetectable
1ykiB-1fehA:
undetectable		 1ykiA-1fehA:
17.13
1ykiB-1fehA:
17.13
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.
1h4r MERLIN

(Homo sapiens) 		PF00373
(FERM_M)
PF09379
(FERM_N)
PF09380
(FERM_C) 		4 PHE A  61
GLY A  63
THR A  28
PHE A  96
 None
 1.08A 1ykiA-1h4rA:
0.0
1ykiB-1h4rA:
0.0		 1ykiA-1h4rA:
23.46
1ykiB-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)
 0.67A 1ykiA-1idtA:
34.0
1ykiB-1idtA:
34.1		 1ykiA-1idtA:
100.00
1ykiB-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.
1m4x PBCV-1 VIRUS CAPSID

(Paramecium
bursaria
Chlorella virus
1) 		PF04451
(Capsid_NCLDV)
PF16903
(Capsid_N) 		4 PHE A 334
ASN A 335
GLY A 350
THR A 115
 None
 1.07A 1ykiA-1m4xA:
0.0
1ykiB-1m4xA:
0.0		 1ykiA-1m4xA:
18.64
1ykiB-1m4xA:
18.64
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.
1nxb NEUROTOXIN B

(Laticauda
semifasciata) 		PF00087
(Toxin_TOLIP) 		4 TYR A  25
ASN A  61
GLY A  40
THR A  13
 None
 1.02A 1ykiA-1nxbA:
undetectable
1ykiB-1nxbA:
undetectable		 1ykiA-1nxbA:
11.85
1ykiB-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.
1rrh SEED LIPOXYGENASE-3

(Glycine max) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 PHE A  53
GLU A  83
GLY A  84
THR A  80
 None
 1.06A 1ykiA-1rrhA:
0.0
1ykiB-1rrhA:
undetectable		 1ykiA-1rrhA:
14.00
1ykiB-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
 1.01A 1ykiA-1s4yA:
undetectable
1ykiB-1s4yA:
undetectable		 1ykiA-1s4yA:
21.35
1ykiB-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 TYR X 140
ASN X 141
GLY X 139
THR X 131
 None
 0.87A 1ykiA-1xewX:
0.0
1ykiB-1xewX:
0.0		 1ykiA-1xewX:
21.61
1ykiB-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 TYR A  81
ASN A  31
GLY A  30
THR A 141
 None
 1.02A 1ykiA-1yj8A:
undetectable
1ykiB-1yj8A:
undetectable		 1ykiA-1yj8A:
19.84
1ykiB-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
 1.07A 1ykiA-1z3vA:
undetectable
1ykiB-1z3vA:
undetectable		 1ykiA-1z3vA:
17.91
1ykiB-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.
2dkd PHOSPHOACETYLGLUCOSA
MINE MUTASE

(Candida
albicans) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I) 		4 TYR A  24
PHE A  22
GLY A  25
THR A 516
 None
None
None
NG1  A 901 (-3.0A)
 0.98A 1ykiA-2dkdA:
undetectable
1ykiB-2dkdA:
undetectable		 1ykiA-2dkdA:
19.12
1ykiB-2dkdA:
19.12
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.
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca sexta) 		PF00135
(COesterase) 		4 PHE A 451
GLU A 359
GLY A 470
PHE A 466
 None
 1.00A 1ykiA-2fj0A:
undetectable
1ykiB-2fj0A:
undetectable		 1ykiA-2fj0A:
18.11
1ykiB-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
 0.86A 1ykiA-2fqhA:
undetectable
1ykiB-2fqhA:
undetectable		 1ykiA-2fqhA:
19.16
1ykiB-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.
2h7z IRDITOXIN SUBUNIT B

(Boiga
irregularis) 		PF00087
(Toxin_TOLIP) 		4 TYR B  35
ASN B  75
GLU B  12
GLY B  52
 None
 0.95A 1ykiA-2h7zB:
undetectable
1ykiB-2h7zB:
undetectable		 1ykiA-2h7zB:
14.55
1ykiB-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 ASN A1000
GLU A1287
GLY A1288
PHE A1053
 None
 0.74A 1ykiA-2nm1A:
undetectable
1ykiB-2nm1A:
undetectable		 1ykiA-2nm1A:
17.01
1ykiB-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 ASN A 999
GLU A1286
GLY A1287
PHE A1052
 None
 0.79A 1ykiA-2np0A:
undetectable
1ykiB-2np0A:
undetectable		 1ykiA-2np0A:
9.70
1ykiB-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
 0.92A 1ykiA-2o6lA:
undetectable
1ykiB-2o6lA:
undetectable		 1ykiA-2o6lA:
21.10
1ykiB-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 TYR A  81
PHE A  83
GLY A  80
THR A  77
 None
 1.02A 1ykiA-2o8vA:
undetectable
1ykiB-2o8vA:
undetectable		 1ykiA-2o8vA:
21.60
1ykiB-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 ASN A 226
GLY A 224
THR A 150
PHE A 187
 None
 0.91A 1ykiA-2p2sA:
undetectable
1ykiB-2p2sA:
undetectable		 1ykiA-2p2sA:
20.51
1ykiB-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.
2uzz N-METHYL-L-TRYPTOPHA
N OXIDASE

(Escherichia
coli) 		PF01266
(DAO) 		4 TYR A 135
LYS A 116
GLU A 241
GLY A  93
 None
 1.08A 1ykiA-2uzzA:
undetectable
1ykiB-2uzzA:
undetectable		 1ykiA-2uzzA:
23.10
1ykiB-2uzzA:
23.10
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.
2vdv TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF02390
(Methyltransf_4) 		4 PHE E 277
GLU E 211
GLY E 212
THR E 282
 None
 1.06A 1ykiA-2vdvE:
undetectable
1ykiB-2vdvE:
undetectable		 1ykiA-2vdvE:
19.92
1ykiB-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
 0.93A 1ykiA-2vraA:
undetectable
1ykiB-2vraA:
undetectable		 1ykiA-2vraA:
22.98
1ykiB-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 ASN A1007
GLU A1293
GLY A1294
PHE A1061
 None
None
GOL  A2005 (-3.6A)
None
 0.75A 1ykiA-2vxrA:
undetectable
1ykiB-2vxrA:
undetectable		 1ykiA-2vxrA:
16.02
1ykiB-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
 0.91A 1ykiA-2xe4A:
undetectable
1ykiB-2xe4A:
undetectable		 1ykiA-2xe4A:
14.21
1ykiB-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
 1.05A 1ykiA-2y23A:
undetectable
1ykiB-2y23A:
undetectable		 1ykiA-2y23A:
23.35
1ykiB-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.
2yzy PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA1012

(Thermus
thermophilus) 		no annotation 4 TYR A  94
ASN A  80
GLU A  78
GLY A  79
 MPD  A 503 (-3.8A)
None
MPD  A 503 (-3.6A)
MPD  A 503 (-3.6A)
 1.07A 1ykiA-2yzyA:
undetectable
1ykiB-2yzyA:
undetectable		 1ykiA-2yzyA:
25.00
1ykiB-2yzyA:
25.00
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.
3cph RAS-RELATED PROTEIN
SEC4

(Saccharomyces
cerevisiae) 		PF00071
(Ras) 		4 TYR A 100
ASN A 133
GLU A 160
GLY A 132
 None
GDP  A 302 (-3.4A)
None
None
 1.08A 1ykiA-3cphA:
undetectable
1ykiB-3cphA:
undetectable		 1ykiA-3cphA:
23.71
1ykiB-3cphA:
23.71
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.
3dev SH1221

(Staphylococcus
haemolyticus) 		PF01368
(DHH)
PF02272
(DHHA1) 		4 TYR A 152
PHE A 131
THR A 167
PHE A 162
 None
 1.06A 1ykiA-3devA:
undetectable
1ykiB-3devA:
undetectable		 1ykiA-3devA:
20.86
1ykiB-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 PHE A 315
GLU A 321
GLY A 322
THR A 376
 None
None
EDO  A 388 (-4.2A)
None
 1.06A 1ykiA-3fdbA:
undetectable
1ykiB-3fdbA:
undetectable		 1ykiA-3fdbA:
22.34
1ykiB-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 GLU A 321
GLY A 322
THR A 306
PHE A 303
 None
 1.04A 1ykiA-3fvcA:
undetectable
1ykiB-3fvcA:
undetectable		 1ykiA-3fvcA:
14.95
1ykiB-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 TYR A  25
ASN A  64
GLY A  40
THR A  13
 None
 1.00A 1ykiA-3hh7A:
undetectable
1ykiB-3hh7A:
undetectable		 1ykiA-3hh7A:
14.62
1ykiB-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)
 0.75A 1ykiA-3hznA:
33.5
1ykiB-3hznA:
33.7		 1ykiA-3hznA:
88.48
1ykiB-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.
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)
 0.95A 1ykiA-3j8f7:
undetectable
1ykiB-3j8f7:
undetectable		 1ykiA-3j8f7:
17.38
1ykiB-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)
 0.85A 1ykiA-3j9f7:
undetectable
1ykiB-3j9f7:
undetectable		 1ykiA-3j9f7:
17.65
1ykiB-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
 1.07A 1ykiA-3k7xA:
undetectable
1ykiB-3k7xA:
undetectable		 1ykiA-3k7xA:
21.91
1ykiB-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 TYR A  61
ASN A  98
GLY A  63
THR A 120
 None
 0.83A 1ykiA-3lm2A:
undetectable
1ykiB-3lm2A:
undetectable		 1ykiA-3lm2A:
20.52
1ykiB-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 ASN G1007
GLU G1293
GLY G1294
PHE G1061
 None
 0.75A 1ykiA-3mppG:
undetectable
1ykiB-3mppG:
undetectable		 1ykiA-3mppG:
17.81
1ykiB-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
 0.79A 1ykiA-3oggA:
undetectable
1ykiB-3oggA:
undetectable		 1ykiA-3oggA:
17.92
1ykiB-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 PHE A 211
ASN A 212
GLY A 248
THR A 381
 None
 1.07A 1ykiA-3plrA:
undetectable
1ykiB-3plrA:
undetectable		 1ykiA-3plrA:
20.14
1ykiB-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.
3rbs MYOMESIN-1

(Homo sapiens) 		PF07679
(I-set) 		4 PHE A1418
ASN A1373
GLU A1371
GLY A1370
 None
 1.08A 1ykiA-3rbsA:
undetectable
1ykiB-3rbsA:
undetectable		 1ykiA-3rbsA:
24.81
1ykiB-3rbsA:
24.81
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.
3sc6 DTDP-4-DEHYDRORHAMNO
SE REDUCTASE

(Bacillus
anthracis) 		PF04321
(RmlD_sub_bind) 		4 PHE A 161
ASN A 160
GLY A 155
PHE A 277
 None
 1.06A 1ykiA-3sc6A:
undetectable
1ykiB-3sc6A:
undetectable		 1ykiA-3sc6A:
24.08
1ykiB-3sc6A:
24.08
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.
3slt SERINE PROTEASE ESPP

(Escherichia
coli) 		PF03797
(Autotransporter) 		4 PHE A1296
ASN A1295
GLY A1030
THR A1222
 None
 0.92A 1ykiA-3sltA:
undetectable
1ykiB-3sltA:
undetectable		 1ykiA-3sltA:
22.80
1ykiB-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 PHE A 152
ASN A 154
GLY A  93
THR A 111
 None
 1.02A 1ykiA-3u4cA:
undetectable
1ykiB-3u4cA:
undetectable		 1ykiA-3u4cA:
20.76
1ykiB-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.
3v10 RHUSIOPATHIAE
SURFACE PROTEIN B

(Erysipelothrix
rhusiopathiae) 		PF05737
(Collagen_bind) 		4 ASN A 251
GLU A 249
GLY A 252
THR A 289
 None
 1.08A 1ykiA-3v10A:
undetectable
1ykiB-3v10A:
undetectable		 1ykiA-3v10A:
21.02
1ykiB-3v10A:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w6q TYROSINASE

(Aspergillus
oryzae) 		PF00264
(Tyrosinase) 		4 TYR A  97
PHE A  99
GLU A 296
GLY A 295
 None
 1.01A 1ykiA-3w6qA:
undetectable
1ykiB-3w6qA:
undetectable		 1ykiA-3w6qA:
16.40
1ykiB-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 PHE A 162
ASN A 299
GLY A 301
THR A 237
 None
 0.99A 1ykiA-3zvtA:
undetectable
1ykiB-3zvtA:
undetectable		 1ykiA-3zvtA:
18.66
1ykiB-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 PHE A 240
GLY A 245
THR A 635
PHE A  88
 None
 0.91A 1ykiA-4a01A:
undetectable
1ykiB-4a01A:
undetectable		 1ykiA-4a01A:
14.99
1ykiB-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 ASN A 548
GLY A 598
THR A 594
PHE A 606
 None
 1.00A 1ykiA-4areA:
undetectable
1ykiB-4areA:
undetectable		 1ykiA-4areA:
16.01
1ykiB-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.
4ddq DNA GYRASE SUBUNIT A

(Bacillus
subtilis) 		PF00521
(DNA_topoisoIV) 		4 PHE A 479
ASN A 480
GLU A 190
GLY A 189
 None
 0.95A 1ykiA-4ddqA:
undetectable
1ykiB-4ddqA:
undetectable		 1ykiA-4ddqA:
19.35
1ykiB-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 PHE A  50
GLY A 219
THR A 358
PHE A 215
 None
None
EDO  A 601 (-3.4A)
None
 1.00A 1ykiA-4dgkA:
undetectable
1ykiB-4dgkA:
undetectable		 1ykiA-4dgkA:
19.28
1ykiB-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.
4f4c MULTIDRUG RESISTANCE
PROTEIN PGP-1

(Caenorhabditis
elegans) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		4 PHE A  17
GLY A 365
THR A 239
PHE A 228
 None
 1.02A 1ykiA-4f4cA:
undetectable
1ykiB-4f4cA:
undetectable		 1ykiA-4f4cA:
11.54
1ykiB-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.
4f4c MULTIDRUG RESISTANCE
PROTEIN PGP-1

(Caenorhabditis
elegans) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		4 PHE A 504
ASN A 505
GLY A 549
THR A 546
 None
 1.08A 1ykiA-4f4cA:
undetectable
1ykiB-4f4cA:
undetectable		 1ykiA-4f4cA:
11.54
1ykiB-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 1ykiA-4faoE:
undetectable
1ykiB-4faoE:
undetectable		 1ykiA-4faoE:
18.36
1ykiB-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)
 0.89A 1ykiA-4fmkA:
undetectable
1ykiB-4fmkA:
undetectable		 1ykiA-4fmkA:
21.05
1ykiB-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.
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 1ykiA-4hxxA:
undetectable
1ykiB-4hxxA:
undetectable		 1ykiA-4hxxA:
21.07
1ykiB-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 PHE A 220
ASN A 219
GLY A 208
THR A 216
 None
 1.02A 1ykiA-4mnrA:
undetectable
1ykiB-4mnrA:
undetectable		 1ykiA-4mnrA:
20.00
1ykiB-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.
4n80 UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		no annotation 4 PHE A 318
ASN A 319
GLY A 277
THR A 274
 None
 1.03A 1ykiA-4n80A:
undetectable
1ykiB-4n80A:
undetectable		 1ykiA-4n80A:
20.84
1ykiB-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 1ykiA-4nmeA:
undetectable
1ykiB-4nmeA:
undetectable		 1ykiA-4nmeA:
12.71
1ykiB-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
 1.07A 1ykiA-4nqyA:
undetectable
1ykiB-4nqyA:
undetectable		 1ykiA-4nqyA:
18.47
1ykiB-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.
4pv4 PROLINE
AMINOPEPTIDASE P II

(Yersinia pestis) 		PF00557
(Peptidase_M24)
PF05195
(AMP_N) 		4 PHE A  75
ASN A  76
GLY A  92
THR A  98
 None
 1.08A 1ykiA-4pv4A:
undetectable
1ykiB-4pv4A:
undetectable		 1ykiA-4pv4A:
20.18
1ykiB-4pv4A:
20.18
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.
4py4 POLY [ADP-RIBOSE]
POLYMERASE 14

(Homo sapiens) 		PF00644
(PARP) 		4 TYR A1739
PHE A1681
THR A1713
PHE A1697
 None
 1.07A 1ykiA-4py4A:
undetectable
1ykiB-4py4A:
undetectable		 1ykiA-4py4A:
21.93
1ykiB-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.
4q1j POLYKETIDE
BIOSYNTHESIS
ENOYL-COA ISOMERASE
PKSI

(Bacillus
subtilis) 		PF00378
(ECH_1) 		4 ASN A 130
LYS A 133
GLY A 107
THR A  67
 None
 1.08A 1ykiA-4q1jA:
undetectable
1ykiB-4q1jA:
undetectable		 1ykiA-4q1jA:
22.46
1ykiB-4q1jA:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 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 TYR A 260
PHE A 258
THR A 272
PHE A 184
 None
 0.86A 1ykiA-4tqvA:
undetectable
1ykiB-4tqvA:
undetectable		 1ykiA-4tqvA:
22.01
1ykiB-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
 1.37A 1ykiA-4urlA:
undetectable
1ykiB-4urlA:
undetectable		 1ykiA-4urlA:
21.25
1ykiB-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 161
ASN A 160
GLY A 155
PHE A 277
 None
 0.90A 1ykiA-4wpgA:
undetectable
1ykiB-4wpgA:
undetectable		 1ykiA-4wpgA:
22.59
1ykiB-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.
4wrr PUTATIVE
DIACYLGLYCEROL
KINASE

(Bacillus
anthracis) 		PF00781
(DAGK_cat) 		4 PHE A 101
GLU A  76
GLY A  72
THR A  52
 None
 0.97A 1ykiA-4wrrA:
undetectable
1ykiB-4wrrA:
undetectable		 1ykiA-4wrrA:
21.94
1ykiB-4wrrA:
21.94
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.
5aca VP1

(Foot-and-mouth
disease virus) 		PF00073
(Rhv) 		4 TYR 1 130
ASN 1 131
GLU 1 133
GLY 1 132
 None
 0.96A 1ykiA-5aca1:
undetectable
1ykiB-5aca1:
undetectable		 1ykiA-5aca1:
18.88
1ykiB-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 PHE A 678
ASN A 675
GLY A 672
THR A 523
 None
 0.98A 1ykiA-5fbuA:
undetectable
1ykiB-5fbuA:
undetectable		 1ykiA-5fbuA:
14.17
1ykiB-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.
5flj QUERCETINASE QUED

(Streptomyces
sp. FLA) 		PF07883
(Cupin_2) 		4 PHE A  36
GLU A  59
GLY A  60
THR A  41
 QUE  A 301 (-4.5A)
None
None
None
 0.90A 1ykiA-5fljA:
undetectable
1ykiB-5fljA:
undetectable		 1ykiA-5fljA:
25.32
1ykiB-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 PHE A1409
GLY A1412
THR A1425
PHE A1417
 None
 1.06A 1ykiA-5fv0A:
undetectable
1ykiB-5fv0A:
undetectable		 1ykiA-5fv0A:
17.65
1ykiB-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.
5h9k LIPOCALIN AI-4

(Rhodnius
prolixus) 		PF03973
(Triabin) 		4 PHE A 126
ASN A 127
GLU A 133
GLY A 132
 None
 1.09A 1ykiA-5h9kA:
undetectable
1ykiB-5h9kA:
undetectable		 1ykiA-5h9kA:
20.28
1ykiB-5h9kA:
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.
5hdt SISTER CHROMATID
COHESION PROTEIN
PDS5 HOMOLOG B

(Homo sapiens) 		no annotation 4 TYR A 128
PHE A 129
GLY A 116
THR A 160
 None
 1.03A 1ykiA-5hdtA:
undetectable
1ykiB-5hdtA:
undetectable		 1ykiA-5hdtA:
12.26
1ykiB-5hdtA:
12.26
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.
5hke BILE SALT HYDROLASE

(Lactobacillus
salivarius) 		PF02275
(CBAH) 		4 TYR A  64
PHE A 100
GLU A  27
GLY A  55
 None
 1.06A 1ykiA-5hkeA:
undetectable
1ykiB-5hkeA:
undetectable		 1ykiA-5hkeA:
19.76
1ykiB-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.
5ho9 EXTRACELLULAR
ARABINANASE

(Geobacillus
stearothermophilus) 		PF04616
(Glyco_hydro_43)
PF16369
(GH43_C) 		4 TYR A 332
ASN A 333
LYS A 368
GLY A 324
 None
 0.98A 1ykiA-5ho9A:
undetectable
1ykiB-5ho9A:
undetectable		 1ykiA-5ho9A:
15.49
1ykiB-5ho9A:
15.49
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.
5hpl RSP5

(Saccharomyces
cerevisiae) 		PF00632
(HECT) 		4 GLU A 685
GLY A 689
THR A 740
PHE A 565
 None
 1.05A 1ykiA-5hplA:
undetectable
1ykiB-5hplA:
undetectable		 1ykiA-5hplA:
21.67
1ykiB-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.
5ig2 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Paraburkholderia
phymatum) 		PF00106
(adh_short) 		4 PHE A  88
ASN A  89
GLY A 121
THR A  62
 None
 1.03A 1ykiA-5ig2A:
undetectable
1ykiB-5ig2A:
undetectable		 1ykiA-5ig2A:
22.43
1ykiB-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 TYR A 161
PHE A 247
GLY A 171
THR A 411
 None
 0.89A 1ykiA-5inwA:
undetectable
1ykiB-5inwA:
undetectable		 1ykiA-5inwA:
21.88
1ykiB-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
 1.04A 1ykiA-5j5pA:
undetectable
1ykiB-5j5pA:
undetectable		 1ykiA-5j5pA:
19.90
1ykiB-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)
 0.70A 1ykiA-5j8dA:
34.1
1ykiB-5j8dA:
34.2		 1ykiA-5j8dA:
87.96
1ykiB-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 1ykiA-5jouA:
undetectable
1ykiB-5jouA:
undetectable		 1ykiA-5jouA:
12.96
1ykiB-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 TYR A 318
PHE A 352
GLY A 317
THR A 313
 None
 1.01A 1ykiA-5juiA:
undetectable
1ykiB-5juiA:
undetectable		 1ykiA-5juiA:
18.42
1ykiB-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
 1.09A 1ykiA-5l35A:
undetectable
1ykiB-5l35A:
undetectable		 1ykiA-5l35A:
19.00
1ykiB-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 ASN A  79
GLU A 112
GLY A 113
THR A 181
 None
 0.94A 1ykiA-5m28A:
undetectable
1ykiB-5m28A:
undetectable		 1ykiA-5m28A:
21.45
1ykiB-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 1ykiA-5n0cA:
undetectable
1ykiB-5n0cA:
undetectable		 1ykiA-5n0cA:
8.99
1ykiB-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 TYR A 465
PHE A 467
ASN A 468
PHE A 411
 None
None
GOL  A 501 (-3.1A)
GOL  A 501 (-4.8A)
 1.03A 1ykiA-5n13A:
undetectable
1ykiB-5n13A:
undetectable		 1ykiA-5n13A:
23.35
1ykiB-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.
5n6v AMYLOSUCRASE

(Neisseria
polysaccharea) 		no annotation 4 PHE A 417
GLY A 411
THR A 398
PHE A 399
 GLC  A 704 ( 4.0A)
None
None
None
 1.08A 1ykiA-5n6vA:
undetectable
1ykiB-5n6vA:
undetectable		 1ykiA-5n6vA:
14.88
1ykiB-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 1ykiA-5nx2A:
undetectable
1ykiB-5nx2A:
undetectable		 1ykiA-5nx2A:
18.62
1ykiB-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 TYR A 222
PHE A 224
GLY A 160
THR A 167
 None
 0.88A 1ykiA-5oevA:
undetectable
1ykiB-5oevA:
undetectable		 1ykiA-5oevA:
18.27
1ykiB-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 TYR B 214
PHE B 115
GLU B 213
THR C 212
 None
 1.01A 1ykiA-5osnB:
undetectable
1ykiB-5osnB:
undetectable		 1ykiA-5osnB:
22.57
1ykiB-5osnB:
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.
5uz7 CALCITONIN RECEPTOR

(Homo sapiens) 		PF00002
(7tm_2) 		4 PHE R 313
ASN R 312
GLU R 240
GLY R 241
 None
 0.84A 1ykiA-5uz7R:
undetectable
1ykiB-5uz7R:
undetectable		 1ykiA-5uz7R:
15.32
1ykiB-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
 1.08A 1ykiA-5w11A:
undetectable
1ykiB-5w11A:
undetectable		 1ykiA-5w11A:
14.75
1ykiB-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
 1.03A 1ykiA-5wy0A:
undetectable
1ykiB-5wy0A:
undetectable		 1ykiA-5wy0A:
16.67
1ykiB-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.
5xnu PUTATIVE INTEGRAL
MEMBRANE PROTEIN

(Escherichia
coli) 		no annotation 4 ASN A 415
GLU A 413
GLY A 414
PHE A 398
 None
 1.06A 1ykiA-5xnuA:
undetectable
1ykiB-5xnuA:
undetectable		 1ykiA-5xnuA:
18.69
1ykiB-5xnuA:
18.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yvs ALCOHOL
DEHYDROGENASE

(candidate
divison MSBL1
archaeon
SCGC-AAA259E19) 		no annotation 4 PHE A 373
GLU A 128
GLY A 129
THR A 167
 None
 0.97A 1ykiA-5yvsA:
undetectable
1ykiB-5yvsA:
undetectable		 1ykiA-5yvsA:
17.06
1ykiB-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
 0.91A 1ykiA-6b3jR:
undetectable
1ykiB-6b3jR:
undetectable		 1ykiA-6b3jR:
13.82
1ykiB-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 GLU B  97
GLY B  96
THR A  59
PHE C 338
 None
 1.06A 1ykiA-6c08B:
undetectable
1ykiB-6c08B:
undetectable		 1ykiA-6c08B:
16.83
1ykiB-6c08B:
16.83
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.
6cd8 GLUCOSE-INDUCED
DEGRADATION PROTEIN
4 HOMOLOG

(Homo sapiens) 		no annotation 4 TYR A 272
GLU A 270
GLY A 271
PHE A 205
 None
 1.09A 1ykiA-6cd8A:
undetectable
1ykiB-6cd8A:
undetectable		 1ykiA-6cd8A:
12.22
1ykiB-6cd8A:
12.22
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.
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)
 0.74A 1ykiA-6czpA:
32.0
1ykiB-6czpA:
31.8		 1ykiA-6czpA:
27.75
1ykiB-6czpA:
27.75