SIMILAR PATTERNS OF AMINO ACIDS FOR 4F8H_C_RKEC401_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.
1a7j PHOSPHORIBULOKINASE

(Rhodobacter
sphaeroides) 		PF00485
(PRK) 		4 ASP A 269
VAL A 154
PHE A  25
LEU A 276
 None
 0.93A 4f8hC-1a7jA:
undetectable
4f8hD-1a7jA:
undetectable		 4f8hC-1a7jA:
23.08
4f8hD-1a7jA:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dlm CATECHOL
1,2-DIOXYGENASE

(Acinetobacter
sp. ADP1) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		4 ASN A  99
ASP A  89
ASP A  92
LEU A 237
 None
 1.02A 4f8hC-1dlmA:
0.0
4f8hD-1dlmA:
0.0		 4f8hC-1dlmA:
21.45
4f8hD-1dlmA:
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.
1js4 ENDO/EXOCELLULASE E4

(Thermobifida
fusca) 		PF00759
(Glyco_hydro_9)
PF00942
(CBM_3) 		4 ASN A 423
ASP A 416
ASP A 415
VAL A 365
 None
 0.83A 4f8hC-1js4A:
0.3
4f8hD-1js4A:
0.4		 4f8hC-1js4A:
20.91
4f8hD-1js4A:
20.91
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.
1pgs PEPTIDE-N(4)-(N-ACET
YL-BETA-D-GLUCOSAMIN
YL)ASPARAGINE
AMIDASE F

(Elizabethkingia
meningoseptica) 		PF09112
(N-glycanase_N)
PF09113
(N-glycanase_C) 		4 ASP A  99
VAL A  65
PHE A 131
LEU A 107
 None
 0.99A 4f8hC-1pgsA:
undetectable
4f8hD-1pgsA:
undetectable		 4f8hC-1pgsA:
23.04
4f8hD-1pgsA:
23.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qf7 PROTEIN (CATALASE
HPII)

(Escherichia
coli) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 ASN A 608
ASP A 674
VAL A 667
PHE A 654
 None
 1.09A 4f8hC-1qf7A:
0.2
4f8hD-1qf7A:
0.3		 4f8hC-1qf7A:
19.46
4f8hD-1qf7A:
19.46
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.
1t2q FAB NNA7 LIGHT CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 TYR H  94
ASP H  89
PHE H  64
LEU H  49
 None
 0.82A 4f8hC-1t2qH:
1.2
4f8hD-1t2qH:
1.2		 4f8hC-1t2qH:
18.18
4f8hD-1t2qH:
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.
1uiy ENOYL-COA HYDRATASE

(Thermus
thermophilus) 		PF00378
(ECH_1) 		4 ASP A  36
ASP A  37
VAL A   4
LEU A  31
 None
 0.94A 4f8hC-1uiyA:
undetectable
4f8hD-1uiyA:
undetectable		 4f8hC-1uiyA:
21.45
4f8hD-1uiyA:
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.
1v32 HYPOTHETICAL PROTEIN
RAFL09-47-K03

(Arabidopsis
thaliana) 		PF02201
(SWIB) 		4 TYR A  90
ASP A  39
VAL A  82
LEU A  20
 None
 1.09A 4f8hC-1v32A:
undetectable
4f8hD-1v32A:
undetectable		 4f8hC-1v32A:
15.14
4f8hD-1v32A:
15.14
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.
1xe4 FEMX

(Weissella
viridescens) 		PF02388
(FemAB) 		4 ASP A  83
ASP A  80
VAL A 111
LEU A 121
 None
 0.97A 4f8hC-1xe4A:
undetectable
4f8hD-1xe4A:
undetectable		 4f8hC-1xe4A:
21.27
4f8hD-1xe4A:
21.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xi9 PUTATIVE
TRANSAMINASE

(Pyrococcus
furiosus) 		PF00155
(Aminotran_1_2) 		4 TYR A 248
ASN A 233
VAL A 238
LEU A 287
 None
 1.08A 4f8hC-1xi9A:
undetectable
4f8hD-1xi9A:
undetectable		 4f8hC-1xi9A:
23.26
4f8hD-1xi9A:
23.26
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.
1y89 DEVB PROTEIN

(Vibrio cholerae) 		PF01182
(Glucosamine_iso) 		4 ASP A  19
ASP A  20
PHE A   7
LYS A   5
 None
PE5  A 242 (-3.6A)
None
None
 0.97A 4f8hC-1y89A:
undetectable
4f8hD-1y89A:
undetectable		 4f8hC-1y89A:
20.32
4f8hD-1y89A:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ys7 TRANSCRIPTIONAL
REGULATORY PROTEIN
PRRA

(Mycobacterium
tuberculosis) 		PF00072
(Response_reg)
PF00486
(Trans_reg_C) 		4 ASP A  58
VAL A  19
PHE A 110
LEU A 115
 MG  A1002 (-2.7A)
None
None
None
 0.98A 4f8hC-1ys7A:
undetectable
4f8hD-1ys7A:
undetectable		 4f8hC-1ys7A:
26.11
4f8hD-1ys7A:
26.11
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.
1ytl ACETYL-COA
DECARBOXYLASE/SYNTHA
SE COMPLEX EPSILON
SUBUNIT 2

(Archaeoglobus
fulgidus) 		PF02552
(CO_dh) 		4 TYR A 163
VAL A  28
PHE A  57
LEU A 167
 None
 1.07A 4f8hC-1ytlA:
undetectable
4f8hD-1ytlA:
undetectable		 4f8hC-1ytlA:
20.06
4f8hD-1ytlA:
20.06
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.
2acv TRITERPENE
UDP-GLUCOSYL
TRANSFERASE UGT71G1

(Medicago
truncatula) 		PF00201
(UDPGT) 		4 ASN A 186
ASP A 170
VAL A 183
PHE A 193
 None
 1.05A 4f8hC-2acvA:
undetectable
4f8hD-2acvA:
undetectable		 4f8hC-2acvA:
23.80
4f8hD-2acvA:
23.80
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.
2bc0 NADH OXIDASE

(Streptococcus
pyogenes) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 ASP A 206
VAL A 173
PHE A 221
LEU A 219
 None
 0.93A 4f8hC-2bc0A:
undetectable
4f8hD-2bc0A:
undetectable		 4f8hC-2bc0A:
21.05
4f8hD-2bc0A:
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.
2c0g WINDBEUTEL PROTEIN

(Drosophila
melanogaster) 		PF07749
(ERp29)
PF07912
(ERp29_N) 		4 ASP A1029
VAL A1039
PHE A1049
LEU A1094
 None
 0.86A 4f8hC-2c0gA:
3.3
4f8hD-2c0gA:
3.3		 4f8hC-2c0gA:
22.02
4f8hD-2c0gA:
22.02
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.
2cve HYPOTHETICAL PROTEIN
TTHA1053

(Thermus
thermophilus) 		PF01205
(UPF0029)
PF09186
(DUF1949) 		4 VAL A  10
PHE A  36
LEU A  89
LYS A   8
 None
 1.07A 4f8hC-2cveA:
undetectable
4f8hD-2cveA:
undetectable		 4f8hC-2cveA:
21.47
4f8hD-2cveA:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cyg BETA-1, 3-GLUCANANSE

(Musa acuminata) 		PF00332
(Glyco_hydro_17) 		4 ASP A 160
VAL A 260
PHE A 175
LEU A 183
 None
 1.08A 4f8hC-2cygA:
undetectable
4f8hD-2cygA:
undetectable		 4f8hC-2cygA:
21.89
4f8hD-2cygA:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d40 PUTATIVE GENTISATE
1,2-DIOXYGENASE

(Escherichia
coli) 		PF07883
(Cupin_2) 		4 TYR A 191
ASN A 214
ASP A 135
LEU A 192
 None
 1.09A 4f8hC-2d40A:
undetectable
4f8hD-2d40A:
undetectable		 4f8hC-2d40A:
21.54
4f8hD-2d40A:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e6e 5'-NUCLEOTIDASE SURE

(Thermus
thermophilus) 		PF01975
(SurE) 		4 ASN A   7
ASP A   9
VAL A  31
LEU A  19
 None
 1.04A 4f8hC-2e6eA:
undetectable
4f8hD-2e6eA:
undetectable		 4f8hC-2e6eA:
22.29
4f8hD-2e6eA:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f6d GLUCOAMYLASE GLU1

(Saccharomycopsis
fibuligera) 		PF00723
(Glyco_hydro_15) 		4 ASP A 379
ASP A 312
VAL A 316
LEU A 296
 PO4  A 900 (-3.1A)
NA  A 997 ( 4.9A)
None
None
 0.71A 4f8hC-2f6dA:
undetectable
4f8hD-2f6dA:
undetectable		 4f8hC-2f6dA:
20.99
4f8hD-2f6dA:
20.99
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.
2ffh PROTEIN (FFH)

(Thermus
aquaticus) 		PF00448
(SRP54)
PF02881
(SRP54_N)
PF02978
(SRP_SPB) 		4 ASP A 187
VAL A 172
PHE A 102
LEU A 205
 None
 0.98A 4f8hC-2ffhA:
undetectable
4f8hD-2ffhA:
undetectable		 4f8hC-2ffhA:
22.40
4f8hD-2ffhA:
22.40
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.
2ixo SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
ACTIVATOR 1

(Saccharomyces
cerevisiae) 		PF03095
(PTPA) 		4 TYR A 212
VAL A 239
PHE A 263
LEU A 270
 None
 1.03A 4f8hC-2ixoA:
undetectable
4f8hD-2ixoA:
undetectable		 4f8hC-2ixoA:
21.20
4f8hD-2ixoA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nv9 A207R PROTEIN,
ARGININE
DECARBOXYLASE

(Paramecium
bursaria
Chlorella virus
1) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		4 TYR A 187
ASP A 212
VAL A  41
LEU A 217
 None
 1.02A 4f8hC-2nv9A:
undetectable
4f8hD-2nv9A:
undetectable		 4f8hC-2nv9A:
22.83
4f8hD-2nv9A:
22.83
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.
2nzx ALPHA1,3-FUCOSYLTRAN
SFERASE

(Helicobacter
pylori) 		PF00852
(Glyco_transf_10) 		4 ASP A 288
VAL A 279
PHE A 198
LEU A 202
 None
 1.10A 4f8hC-2nzxA:
undetectable
4f8hD-2nzxA:
undetectable		 4f8hC-2nzxA:
21.81
4f8hD-2nzxA:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pfk 6-PHOSPHOFRUCTOKINAS
E ISOZYME I

(Escherichia
coli) 		PF00365
(PFK) 		4 ASP A  53
VAL A  24
PHE A  67
LEU A  68
 None
 1.05A 4f8hC-2pfkA:
undetectable
4f8hD-2pfkA:
undetectable		 4f8hC-2pfkA:
21.64
4f8hD-2pfkA:
21.64
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.
2qai V-TYPE ATP SYNTHASE
SUBUNIT F

(Pyrococcus
furiosus) 		PF01990
(ATP-synt_F) 		4 ASP A  47
ASP A  48
VAL A   4
LEU A  44
 None
 1.09A 4f8hC-2qaiA:
undetectable
4f8hD-2qaiA:
undetectable		 4f8hC-2qaiA:
18.79
4f8hD-2qaiA:
18.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qjp CYTOCHROME C1

(Rhodobacter
sphaeroides) 		PF02167
(Cytochrom_C1) 		4 TYR B  66
VAL B  45
PHE B 214
LEU B  29
 None
 0.95A 4f8hC-2qjpB:
undetectable
4f8hD-2qjpB:
undetectable		 4f8hC-2qjpB:
21.82
4f8hD-2qjpB:
21.82
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.
2v3s SERINE/THREONINE-PRO
TEIN KINASE OSR1

(Homo sapiens) 		PF12202
(OSR1_C) 		4 ASP A 459
VAL A 482
PHE A 452
LEU A 436
 None
 1.02A 4f8hC-2v3sA:
undetectable
4f8hD-2v3sA:
undetectable		 4f8hC-2v3sA:
22.16
4f8hD-2v3sA:
22.16
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.
2xfg ENDOGLUCANASE 1

(Ruminiclostridium
thermocellum) 		PF00759
(Glyco_hydro_9) 		4 ASN A 422
ASP A 415
ASP A 414
VAL A 365
 None
 0.85A 4f8hC-2xfgA:
undetectable
4f8hD-2xfgA:
undetectable		 4f8hC-2xfgA:
21.75
4f8hD-2xfgA:
21.75
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.
2yiu CYTOCHROME C1, HEME
PROTEIN

(Paracoccus
denitrificans) 		PF02167
(Cytochrom_C1) 		4 TYR B 112
VAL B  91
PHE B 239
LEU B  75
 None
 0.94A 4f8hC-2yiuB:
undetectable
4f8hD-2yiuB:
undetectable		 4f8hC-2yiuB:
20.35
4f8hD-2yiuB:
20.35
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.
3al9 PLEXIN-A2

(Mus musculus) 		PF01403
(Sema)
PF01437
(PSI) 		4 TYR A  63
ASP A 143
ASP A 144
LEU A 126
 None
 0.94A 4f8hC-3al9A:
undetectable
4f8hD-3al9A:
undetectable		 4f8hC-3al9A:
19.27
4f8hD-3al9A:
19.27
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.
3cin MYO-INOSITOL-1-PHOSP
HATE
SYNTHASE-RELATED
PROTEIN

(Thermotoga
maritima) 		PF01658
(Inos-1-P_synth)
PF07994
(NAD_binding_5) 		4 ASP A 326
VAL A   2
PHE A  16
LEU A  20
 None
 1.01A 4f8hC-3cinA:
undetectable
4f8hD-3cinA:
undetectable		 4f8hC-3cinA:
21.45
4f8hD-3cinA:
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.
3dfh MANDELATE RACEMASE

(Vibrionales
bacterium
SWAT-3) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 TYR A 183
ASP A 207
VAL A 224
LEU A 212
 None
 0.78A 4f8hC-3dfhA:
undetectable
4f8hD-3dfhA:
undetectable		 4f8hC-3dfhA:
21.67
4f8hD-3dfhA:
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.
3dpt RAB FAMILY PROTEIN

(Chlorobaculum
tepidum) 		PF16095
(COR) 		4 TYR A 904
ASP A 934
VAL A 929
LEU A 908
 None
 1.10A 4f8hC-3dptA:
undetectable
4f8hD-3dptA:
undetectable		 4f8hC-3dptA:
20.96
4f8hD-3dptA:
20.96
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.
3dpu RAB FAMILY PROTEIN

(Chlorobaculum
tepidum) 		PF08477
(Roc)
PF16095
(COR) 		4 TYR A 904
ASP A 934
VAL A 929
LEU A 908
 None
 1.06A 4f8hC-3dpuA:
undetectable
4f8hD-3dpuA:
undetectable		 4f8hC-3dpuA:
21.00
4f8hD-3dpuA:
21.00
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.
3f0h AMINOTRANSFERASE

([Eubacterium]
rectale) 		PF00266
(Aminotran_5) 		4 ASP A 143
VAL A 133
PHE A 158
LEU A 129
 GOL  A 360 (-4.6A)
None
None
None
 1.09A 4f8hC-3f0hA:
undetectable
4f8hD-3f0hA:
undetectable		 4f8hC-3f0hA:
21.59
4f8hD-3f0hA:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fdg DIPEPTIDASE AC.
METALLO PEPTIDASE.
MEROPS FAMILY M19

(Rhodobacter
sphaeroides) 		PF01244
(Peptidase_M19) 		4 ASP A 217
ASP A 218
VAL A 196
LEU A 227
 None
 1.02A 4f8hC-3fdgA:
undetectable
4f8hD-3fdgA:
undetectable		 4f8hC-3fdgA:
21.50
4f8hD-3fdgA:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hfq UNCHARACTERIZED
PROTEIN LP_2219

(Lactobacillus
plantarum) 		PF10282
(Lactonase) 		4 TYR A 145
VAL A 166
PHE A 194
LEU A 192
 None
 0.95A 4f8hC-3hfqA:
undetectable
4f8hD-3hfqA:
undetectable		 4f8hC-3hfqA:
22.31
4f8hD-3hfqA:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3j08 COPPER-EXPORTING
P-TYPE ATPASE A

(Archaeoglobus
fulgidus) 		PF00122
(E1-E2_ATPase)
PF00702
(Hydrolase) 		4 ASP A 654
ASP A 653
VAL A 616
LEU A 561
 None
 1.03A 4f8hC-3j08A:
2.9
4f8hD-3j08A:
2.9		 4f8hC-3j08A:
20.15
4f8hD-3j08A:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3j7y MS30

(Homo sapiens) 		PF00829
(Ribosomal_L21p) 		4 TYR s 402
ASP s 363
PHE s 176
LEU s 150
 None
 1.05A 4f8hC-3j7ys:
undetectable
4f8hD-3j7ys:
undetectable		 4f8hC-3j7ys:
22.39
4f8hD-3j7ys:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jbl NLR FAMILY CARD
DOMAIN-CONTAINING
PROTEIN 4

(Mus musculus) 		no annotation 4 ASP K 727
ASP K 728
VAL K 719
LEU K 746
 None
 1.09A 4f8hC-3jblK:
undetectable
4f8hD-3jblK:
undetectable		 4f8hC-3jblK:
16.03
4f8hD-3jblK:
16.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k1d 1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME

(Mycobacterium
tuberculosis) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		4 ASP A  62
VAL A  76
PHE A  80
LEU A  83
 None
 1.09A 4f8hC-3k1dA:
undetectable
4f8hD-3k1dA:
undetectable		 4f8hC-3k1dA:
18.13
4f8hD-3k1dA:
18.13
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.
3keh GLUCOCEREBROSIDASE

(Homo sapiens) 		PF02055
(Glyco_hydro_30)
PF17189
(Glyco_hydro_30C) 		4 VAL A  17
PHE A   9
LEU A 354
LYS A   7
 None
 1.09A 4f8hC-3kehA:
undetectable
4f8hD-3kehA:
undetectable		 4f8hC-3kehA:
21.43
4f8hD-3kehA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l8a PUTATIVE
AMINOTRANSFERASE,
PROBABLE
BETA-CYSTATHIONASE

(Streptococcus
mutans) 		PF00155
(Aminotran_1_2) 		4 TYR A  62
ASN A  64
ASP A  65
ASP A  66
 None
 0.83A 4f8hC-3l8aA:
undetectable
4f8hD-3l8aA:
undetectable		 4f8hC-3l8aA:
22.38
4f8hD-3l8aA:
22.38
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.
3lor THIOL-DISULFIDE
ISOMERASE AND
THIOREDOXINS

(Corynebacterium
glutamicum) 		PF00578
(AhpC-TSA) 		4 ASP A  13
ASP A 101
VAL A  37
LEU A  10
 None
 0.97A 4f8hC-3lorA:
undetectable
4f8hD-3lorA:
undetectable		 4f8hC-3lorA:
21.09
4f8hD-3lorA:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3og5 OUTER MEMBRANE
PROTEIN ASSEMBLY
COMPLEX, YAET
PROTEIN

(Escherichia
coli) 		PF07244
(POTRA) 		4 ASN A 357
ASP A 358
VAL A 364
PHE A 395
 None
 0.99A 4f8hC-3og5A:
undetectable
4f8hD-3og5A:
undetectable		 4f8hC-3og5A:
18.32
4f8hD-3og5A:
18.32
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.
3q9o EXOTOXIN A

(Vibrio cholerae) 		PF09009
(Exotox-A_cataly)
PF09101
(Exotox-A_bind)
PF09102
(Exotox-A_target) 		4 ASN A 114
ASP A 132
VAL A 211
LEU A 116
 None
 1.06A 4f8hC-3q9oA:
undetectable
4f8hD-3q9oA:
undetectable		 4f8hC-3q9oA:
19.18
4f8hD-3q9oA:
19.18
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.
3rjt LIPOLYTIC PROTEIN
G-D-S-L FAMILY

(Alicyclobacillus
acidocaldarius) 		PF13472
(Lipase_GDSL_2) 		4 TYR A 112
ASP A  13
VAL A  68
LEU A 116
 None
ACT  A 301 (-3.8A)
None
None
 1.08A 4f8hC-3rjtA:
undetectable
4f8hD-3rjtA:
undetectable		 4f8hC-3rjtA:
19.88
4f8hD-3rjtA:
19.88
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.
3rkx BIOTIN-[ACETYL-COA-C
ARBOXYLASE] LIGASE

(Staphylococcus
aureus) 		PF03099
(BPL_LplA_LipB)
PF08279
(HTH_11) 		4 ASP A 299
ASP A 297
PHE A 264
LEU A 155
 None
 0.97A 4f8hC-3rkxA:
undetectable
4f8hD-3rkxA:
undetectable		 4f8hC-3rkxA:
21.02
4f8hD-3rkxA:
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.
3s47 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Clostridium
beijerinckii) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 TYR A 183
ASP A 207
VAL A 224
LEU A 212
 None
MG  A 402 (-3.0A)
None
None
 0.94A 4f8hC-3s47A:
undetectable
4f8hD-3s47A:
undetectable		 4f8hC-3s47A:
21.50
4f8hD-3s47A:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s51 FANCONI ANEMIA GROUP
I PROTEIN HOMOLOG

(Mus musculus) 		PF14674
(FANCI_S1-cap)
PF14675
(FANCI_S1)
PF14676
(FANCI_S2)
PF14677
(FANCI_S3)
PF14678
(FANCI_S4)
PF14679
(FANCI_HD1)
PF14680
(FANCI_HD2) 		4 ASP A 328
VAL A 360
PHE A 385
LEU A 389
 None
 1.09A 4f8hC-3s51A:
undetectable
4f8hD-3s51A:
undetectable		 4f8hC-3s51A:
13.42
4f8hD-3s51A:
13.42
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.
3u7g BIFUNCTIONAL
POLYNUCLEOTIDE
PHOSPHATASE/KINASE

(Mus musculus) 		PF08645
(PNK3P)
PF13671
(AAA_33) 		4 ASP A 266
VAL A 213
PHE A 312
LEU A 318
 None
 1.05A 4f8hC-3u7gA:
undetectable
4f8hD-3u7gA:
undetectable		 4f8hC-3u7gA:
22.79
4f8hD-3u7gA:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uqe 6-PHOSPHOFRUCTOKINAS
E ISOZYME 2

(Escherichia
coli) 		PF00294
(PfkB) 		4 ASP A 116
VAL A 144
LEU A 121
LYS A 148
 None
 1.03A 4f8hC-3uqeA:
undetectable
4f8hD-3uqeA:
undetectable		 4f8hC-3uqeA:
22.38
4f8hD-3uqeA:
22.38
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.
3v6o MONOCLONAL ANTIBODY
9F8 FAB FRAGMENT
HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 TYR C  95
ASP C  90
PHE C  65
LEU C  50
 None
 0.90A 4f8hC-3v6oC:
undetectable
4f8hD-3v6oC:
undetectable		 4f8hC-3v6oC:
19.68
4f8hD-3v6oC:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vfg 3F8 HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 TYR H  90
ASP H  85
PHE H  63
LEU H  48
 None
 0.93A 4f8hC-3vfgH:
undetectable
4f8hD-3vfgH:
undetectable		 4f8hC-3vfgH:
19.50
4f8hD-3vfgH:
19.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vfi THIOREDOXIN

(Silicibacter
phage DSS3phi2) 		PF00085
(Thioredoxin) 		4 ASP A   7
VAL A  14
PHE A  25
LEU A  68
 None
 1.10A 4f8hC-3vfiA:
undetectable
4f8hD-3vfiA:
undetectable		 4f8hC-3vfiA:
17.78
4f8hD-3vfiA:
17.78
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.
3wgk CELL DIVISION
PROTEIN FTSZ

(Staphylococcus
aureus) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		4 ASP A 199
VAL A 212
PHE A 100
LEU A  14
 None
 1.03A 4f8hC-3wgkA:
undetectable
4f8hD-3wgkA:
undetectable		 4f8hC-3wgkA:
21.07
4f8hD-3wgkA:
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.
3zkm FAB HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 TYR C  93
ASP C  88
PHE C  63
LEU C  48
 None
GOL  C1217 ( 4.5A)
GOL  C1217 (-4.0A)
None
 0.82A 4f8hC-3zkmC:
undetectable
4f8hD-3zkmC:
undetectable		 4f8hC-3zkmC:
21.94
4f8hD-3zkmC:
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.
4bji TRANSCRIPTION FACTOR
TAU SUBUNIT SFC1

(Schizosaccharomyces
pombe) 		PF09734
(Tau95) 		4 TYR A 321
ASP A 310
ASP A 328
LEU A 367
 None
 1.09A 4f8hC-4bjiA:
undetectable
4f8hD-4bjiA:
undetectable		 4f8hC-4bjiA:
21.23
4f8hD-4bjiA:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eq9 ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN-AMINO ACID
TRANSPORT

(Streptococcus
pneumoniae) 		PF00497
(SBP_bac_3) 		4 ASP A 141
ASP A 142
VAL A 130
LEU A 220
 None
 0.82A 4f8hC-4eq9A:
undetectable
4f8hD-4eq9A:
undetectable		 4f8hC-4eq9A:
20.69
4f8hD-4eq9A:
20.69
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.
4ex6 ALNB

(Streptomyces
sp. CM020) 		PF13419
(HAD_2) 		4 ASP A 104
VAL A  12
PHE A 215
LEU A  20
 None
 0.99A 4f8hC-4ex6A:
undetectable
4f8hD-4ex6A:
undetectable		 4f8hC-4ex6A:
23.17
4f8hD-4ex6A:
23.17
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.
4i1i MALATE DEHYDROGENASE

(Leishmania
major) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 ASP A 247
ASP A 251
VAL A 260
LEU A 164
 None
 1.05A 4f8hC-4i1iA:
undetectable
4f8hD-4i1iA:
undetectable		 4f8hC-4i1iA:
24.86
4f8hD-4i1iA:
24.86
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.
4j6f PUTATIVE ALCOHOL
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 ASP A  90
VAL A 153
PHE A 313
LEU A 316
 None
 1.01A 4f8hC-4j6fA:
undetectable
4f8hD-4j6fA:
undetectable		 4f8hC-4j6fA:
22.43
4f8hD-4j6fA:
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.
4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE

([Bacillus]
clarkii) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		4 ASP A 451
ASP A 448
VAL A 422
LEU A 387
 None
 1.02A 4f8hC-4jcmA:
undetectable
4f8hD-4jcmA:
undetectable		 4f8hC-4jcmA:
18.21
4f8hD-4jcmA:
18.21
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.
4lan URACIL-5-CARBOXYLATE
DECARBOXYLASE

(Cordyceps
militaris) 		PF04909
(Amidohydro_2) 		4 ASP A  10
VAL A 299
PHE A 193
LEU A 248
 None
 0.90A 4f8hC-4lanA:
undetectable
4f8hD-4lanA:
undetectable		 4f8hC-4lanA:
22.47
4f8hD-4lanA:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mqb THYMIDYLATE KINASE

(Staphylococcus
aureus) 		PF02223
(Thymidylate_kin) 		4 TYR A  93
ASP A 126
VAL A  88
LEU A  74
 None
 1.01A 4f8hC-4mqbA:
undetectable
4f8hD-4mqbA:
undetectable		 4f8hC-4mqbA:
22.01
4f8hD-4mqbA:
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.
4o1o RIBONUCLEASE L

(Sus scrofa) 		PF00069
(Pkinase)
PF06479
(Ribonuc_2-5A)
PF12796
(Ank_2)
PF13857
(Ank_5) 		4 ASP A 482
PHE A 536
LEU A 524
LYS A 540
 None
 0.94A 4f8hC-4o1oA:
2.7
4f8hD-4o1oA:
undetectable		 4f8hC-4o1oA:
18.53
4f8hD-4o1oA:
18.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ozx ALGINATE LYASE

(Klebsiella
pneumoniae) 		PF08787
(Alginate_lyase2) 		4 TYR A  60
ASN A  62
ASP A  64
VAL A  40
 None
 1.08A 4f8hC-4ozxA:
undetectable
4f8hD-4ozxA:
undetectable		 4f8hC-4ozxA:
24.61
4f8hD-4ozxA:
24.61
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.
4rsl FRUCTOSYL PEPTIDE
OXIDASE

(Penicillium
terrenum) 		PF01266
(DAO) 		4 TYR A 254
ASN A 140
VAL A 260
LEU A 333
 None
 0.94A 4f8hC-4rslA:
undetectable
4f8hD-4rslA:
undetectable		 4f8hC-4rslA:
22.22
4f8hD-4rslA:
22.22
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.
4rwy ANTIBODY 8ANC131
HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 TYR H  90
ASP H  85
PHE H  63
LEU H  48
 None
 0.80A 4f8hC-4rwyH:
undetectable
4f8hD-4rwyH:
undetectable		 4f8hC-4rwyH:
22.12
4f8hD-4rwyH:
22.12
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.
4u3j PROTEIN STU2

(Saccharomyces
cerevisiae) 		no annotation 4 TYR C 369
ASP C 326
VAL C 355
LEU C 362
 None
 1.05A 4f8hC-4u3jC:
2.5
4f8hD-4u3jC:
2.6		 4f8hC-4u3jC:
21.19
4f8hD-4u3jC:
21.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4x5t PROTON-GATED ION
CHANNEL,GLRA1
PROTEIN,GLRA1
PROTEIN

(Gloeobacter
violaceus;
Homo sapiens) 		PF02931
(Neur_chan_LBD)
PF02932
(Neur_chan_memb) 		4 TYR A  23
ASN A 152
ASP A 153
ASP A 154
 None
 0.62A 4f8hC-4x5tA:
34.3
4f8hD-4x5tA:
34.2		 4f8hC-4x5tA:
71.91
4f8hD-4x5tA:
71.91
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.
4xhu PROTEIN TIMELESS
HOMOLOG

(Homo sapiens) 		no annotation 4 ASP D  36
ASP D  37
VAL D  47
LEU D  31
 None
 0.94A 4f8hC-4xhuD:
undetectable
4f8hD-4xhuD:
undetectable		 4f8hC-4xhuD:
15.08
4f8hD-4xhuD:
15.08
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.
4zi9 MCG133388, ISOFORM
CRA_T

(Mus musculus) 		PF00028
(Cadherin)
PF08266
(Cadherin_2) 		4 ASP A 177
VAL A 204
PHE A 150
LEU A 168
 None
 1.10A 4f8hC-4zi9A:
undetectable
4f8hD-4zi9A:
undetectable		 4f8hC-4zi9A:
20.90
4f8hD-4zi9A:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5czr CADHERIN-RELATED
FAMILY MEMBER 2

(Homo sapiens) 		PF00028
(Cadherin) 		4 ASP A 152
VAL A 211
PHE A 157
LEU A 167
 None
 0.87A 4f8hC-5czrA:
undetectable
4f8hD-5czrA:
undetectable		 4f8hC-5czrA:
23.69
4f8hD-5czrA:
23.69
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.
5dfm MALTOSE-BINDING
PERIPLASMIC
PROTEIN,TELOMERASE-A
SSOCIATED PROTEIN 19

(Escherichia
coli;
Tetrahymena
thermophila) 		PF13416
(SBP_bac_8) 		4 ASP A 386
VAL A 407
PHE A 474
LEU A 507
 None
None
None
GOL  A 607 (-4.1A)
 0.98A 4f8hC-5dfmA:
undetectable
4f8hD-5dfmA:
undetectable		 4f8hC-5dfmA:
18.22
4f8hD-5dfmA:
18.22
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.
5dgq PUTATIVE
ENDOGLUCANASE-RELATE
D PROTEIN

(Photobacterium
profundum) 		PF00759
(Glyco_hydro_9) 		4 TYR A 156
ASN A 359
ASP A 360
ASP A 361
 None
 0.83A 4f8hC-5dgqA:
1.7
4f8hD-5dgqA:
undetectable		 4f8hC-5dgqA:
20.72
4f8hD-5dgqA:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dqp EDTA MONOOXYGENASE

(EDTA-degrading
bacterium BNC1) 		PF00296
(Bac_luciferase) 		4 ASP A  74
ASP A  57
VAL A 125
LEU A 105
 None
 1.05A 4f8hC-5dqpA:
undetectable
4f8hD-5dqpA:
undetectable		 4f8hC-5dqpA:
20.73
4f8hD-5dqpA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ek8 LIPOXYGENASE

(Cyanothece sp.
PCC 8801) 		PF00305
(Lipoxygenase) 		4 ASP A 448
ASP A 449
VAL A 251
LEU A 299
 None
 1.01A 4f8hC-5ek8A:
2.4
4f8hD-5ek8A:
2.4		 4f8hC-5ek8A:
20.26
4f8hD-5ek8A:
20.26
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.
5eor ANTI VACCINIA VIRUS
A27 ANTIBODY 8E3
HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 TYR H  94
ASP H  89
PHE H  64
LEU H  49
 None
 0.91A 4f8hC-5eorH:
undetectable
4f8hD-5eorH:
undetectable		 4f8hC-5eorH:
19.63
4f8hD-5eorH:
19.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5foe GDP-FUCOSE PROTEIN
O-FUCOSYLTRANSFERASE
2,THROMBOSPONDIN-1

(Caenorhabditis
elegans;
Homo sapiens) 		PF00090
(TSP_1)
PF10250
(O-FucT) 		4 ASP A 262
ASP A 259
VAL A 244
LEU A 369
 None
 1.06A 4f8hC-5foeA:
undetectable
4f8hD-5foeA:
undetectable		 4f8hC-5foeA:
20.84
4f8hD-5foeA:
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.
5h1k GEM-ASSOCIATED
PROTEIN 5

(Homo sapiens) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		4 ASP A  95
VAL A  36
PHE A  72
LEU A  27
 None
 0.77A 4f8hC-5h1kA:
undetectable
4f8hD-5h1kA:
undetectable		 4f8hC-5h1kA:
18.78
4f8hD-5h1kA:
18.78
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.
5j04 ENOLASE

(Synechococcus
elongatus) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		4 ASN A 219
ASP A 165
VAL A 247
LEU A 277
 None
 1.04A 4f8hC-5j04A:
undetectable
4f8hD-5j04A:
undetectable		 4f8hC-5j04A:
22.05
4f8hD-5j04A:
22.05
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.
5jpz SQUAMOUS CELL
CARCINOMA ANTIGEN
RECOGNIZED BY
T-CELLS 3

(Homo sapiens) 		no annotation 4 TYR A 285
ASP A 261
LEU A 289
LYS A 296
 None
 1.01A 4f8hC-5jpzA:
3.1
4f8hD-5jpzA:
3.6		 4f8hC-5jpzA:
21.06
4f8hD-5jpzA:
21.06
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.
5jr4 TYPE 1 FIMBIRAL
ADHESIN FIMH

(Escherichia
coli) 		PF00419
(Fimbrial)
PF09160
(FimH_man-bind) 		4 TYR A 278
ASP A 162
VAL A 274
LEU A 193
 None
 1.10A 4f8hC-5jr4A:
undetectable
4f8hD-5jr4A:
undetectable		 4f8hC-5jr4A:
21.73
4f8hD-5jr4A:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k7l POTASSIUM
VOLTAGE-GATED
CHANNEL SUBFAMILY H
MEMBER 1

(Rattus
norvegicus) 		PF00027
(cNMP_binding)
PF00520
(Ion_trans)
PF13426
(PAS_9) 		4 TYR A  44
ASN A  46
ASP A  47
LEU A  18
 None
 0.75A 4f8hC-5k7lA:
3.3
4f8hD-5k7lA:
3.3		 4f8hC-5k7lA:
16.38
4f8hD-5k7lA:
16.38
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.
5kss 5'-NUCLEOTIDASE SURE

(Xylella
fastidiosa) 		PF01975
(SurE) 		4 ASN A   7
ASP A   9
VAL A  32
LEU A  19
 None
MN  A 501 (-3.1A)
None
None
 1.08A 4f8hC-5kssA:
undetectable
4f8hD-5kssA:
undetectable		 4f8hC-5kssA:
21.92
4f8hD-5kssA:
21.92
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.
5ldn ANTIBODY

(Mus musculus) 		no annotation 4 TYR H  92
ASP H  87
PHE H  62
LEU H  47
 None
 0.79A 4f8hC-5ldnH:
undetectable
4f8hD-5ldnH:
undetectable		 4f8hC-5ldnH:
20.19
4f8hD-5ldnH:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mn5 CELL DIVISION
PROTEIN FTSZ

(Staphylococcus
aureus) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		4 ASP A 199
VAL A 214
PHE A 100
LEU A  14
 None
 0.91A 4f8hC-5mn5A:
undetectable
4f8hD-5mn5A:
undetectable		 4f8hC-5mn5A:
21.99
4f8hD-5mn5A:
21.99
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.
5nmv FAB HEAVY CHAIN

(Mus) 		no annotation 4 TYR H  93
ASP H  88
PHE H  63
LEU H  48
 None
 0.95A 4f8hC-5nmvH:
undetectable
4f8hD-5nmvH:
undetectable		 4f8hC-5nmvH:
12.97
4f8hD-5nmvH:
12.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5osb PROTON-GATED ION
CHANNEL,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1

(Gloeobacter
violaceus;
Mus musculus) 		no annotation 4 VAL A  78
PHE A 173
LEU A 175
LYS A 182
 ACT  A 503 ( 4.0A)
None
None
None
 0.28A 4f8hC-5osbA:
34.3
4f8hD-5osbA:
34.2		 4f8hC-5osbA:
70.88
4f8hD-5osbA:
70.88
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.
5tqm CINNAMOYL-COA
REDUCTASE

(Sorghum bicolor) 		PF01370
(Epimerase) 		4 TYR A  42
ASP A 249
VAL A 229
LEU A 217
 NAP  A 401 (-4.5A)
None
None
None
 0.81A 4f8hC-5tqmA:
undetectable
4f8hD-5tqmA:
undetectable		 4f8hC-5tqmA:
22.53
4f8hD-5tqmA:
22.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v6n PROTON-GATED ION
CHANNEL

(Gloeobacter
violaceus) 		no annotation 4 TYR C  23
ASN C 152
ASP C 153
ASP C 154
 None
 0.79A 4f8hC-5v6nC:
36.1
4f8hD-5v6nC:
36.1		 4f8hC-5v6nC:
98.71
4f8hD-5v6nC:
98.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v6n PROTON-GATED ION
CHANNEL

(Gloeobacter
violaceus) 		no annotation 4 VAL C  79
PHE C 174
LEU C 176
LYS C 183
 None
 0.48A 4f8hC-5v6nC:
36.1
4f8hD-5v6nC:
36.1		 4f8hC-5v6nC:
98.71
4f8hD-5v6nC:
98.71
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.
5wy3 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		no annotation 4 ASP A  46
VAL A  88
PHE A  64
LEU A  70
 None
 1.05A 4f8hC-5wy3A:
2.6
4f8hD-5wy3A:
3.8		 4f8hC-5wy3A:
23.56
4f8hD-5wy3A:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y88 -

(-) 		no annotation 4 TYR U 640
ASP U 707
VAL U 682
LEU U 703
 None
 0.89A 4f8hC-5y88U:
2.5
4f8hD-5y88U:
2.4		 4f8hC-5y88U:
undetectable
4f8hD-5y88U:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b3r PIEZO-TYPE
MECHANOSENSITIVE ION
CHANNEL COMPONENT 1

(Mus musculus) 		no annotation 4 ASP A1984
ASP A1987
PHE A2090
LEU A2053
 None
 0.78A 4f8hC-6b3rA:
undetectable
4f8hD-6b3rA:
undetectable		 4f8hC-6b3rA:
16.81
4f8hD-6b3rA:
16.81
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.
6bpz PIEZO-TYPE
MECHANOSENSITIVE ION
CHANNEL COMPONENT
1,PIEZO-TYPE
MECHANOSENSITIVE ION
CHANNEL COMPONENT
1,MOUSE
PIEZO1,PIEZO-TYPE
MECHANOSENSITIVE ION
CHANNEL COMPONENT
1,PIEZO-TYPE
MECHANOSENSITIVE ION
CHANNEL COMPONENT 1

(Mus musculus) 		no annotation 4 ASP A1984
ASP A1987
PHE A2090
LEU A2053
 None
 1.00A 4f8hC-6bpzA:
3.0
4f8hD-6bpzA:
3.5		 4f8hC-6bpzA:
13.82
4f8hD-6bpzA:
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.
6c26 DOLICHYL-DIPHOSPHOOL
IGOSACCHARIDE--PROTE
IN
GLYCOSYLTRANSFERASE
SUBUNIT STT3

(Saccharomyces
cerevisiae) 		no annotation 4 ASN A 216
ASP A 265
PHE A 398
LEU A 394
 None
None
None
EGY  3 401 ( 4.8A)
 1.04A 4f8hC-6c26A:
2.3
4f8hD-6c26A:
2.2		 4f8hC-6c26A:
13.65
4f8hD-6c26A:
13.65