SIMILAR PATTERNS OF AMINO ACIDS FOR 4PAE_A_NIZA804

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.
1ad3 ALDEHYDE
DEHYDROGENASE (CLASS
3)

(Rattus
norvegicus) 		PF00171
(Aldedh) 		4 PHE A 236
TYR A 271
LEU A 267
HIS A 304
 None
 1.23A 4paeA-1ad3A:
undetectable		 4paeA-1ad3A:
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.
1bco BACTERIOPHAGE MU
TRANSPOSASE

(Escherichia
virus Mu) 		PF02914
(DDE_2)
PF09299
(Mu-transpos_C) 		4 ASP A 405
LEU A 400
HIS A 273
THR A 289
 None
 1.15A 4paeA-1bcoA:
undetectable		 4paeA-1bcoA:
18.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g8k ARSENITE OXIDASE

(Alcaligenes
faecalis) 		PF00355
(Rieske) 		4 ASP B 101
TYR B  56
LEU B 102
THR B  83
 None
None
None
FES  B5006 (-3.8A)
 1.29A 4paeA-1g8kB:
undetectable		 4paeA-1g8kB:
10.40
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.
1ge7 PEPTIDYL-LYS
METALLOENDOPEPTIDASE

(Grifola
frondosa) 		PF14521
(Aspzincin_M35) 		4 PHE A 159
LEU A  31
HIS A  34
THR A  38
 None
 1.30A 4paeA-1ge7A:
0.0		 4paeA-1ge7A:
11.56
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.
1ge7 PEPTIDYL-LYS
METALLOENDOPEPTIDASE

(Grifola
frondosa) 		PF14521
(Aspzincin_M35) 		4 PHE A 159
TYR A  60
LEU A  31
THR A  38
 None
 1.27A 4paeA-1ge7A:
0.0		 4paeA-1ge7A:
11.56
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.
1ibj CYSTATHIONINE
BETA-LYASE

(Arabidopsis
thaliana) 		PF01053
(Cys_Met_Meta_PP) 		4 PHE A 459
TYR A 345
LEU A 346
THR A 384
 None
 1.06A 4paeA-1ibjA:
0.0		 4paeA-1ibjA:
21.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1itk CATALASE-PEROXIDASE

(Haloarcula
marismortui) 		PF00141
(peroxidase) 		5 ASP A  82
TYR A  86
LEU A  89
HIS A 265
THR A 304
 None
None
HEM  A 800 (-4.0A)
HEM  A 800 (-3.8A)
HEM  A 800 (-3.4A)
 0.33A 4paeA-1itkA:
59.6		 4paeA-1itkA:
54.05
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.
1ko0 DIAMINOPIMELATE
DECARBOXYLASE

(Escherichia
coli) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		4 ASP A 197
TYR A 198
LEU A 201
HIS A 149
 None
 1.17A 4paeA-1ko0A:
0.0		 4paeA-1ko0A:
19.25
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.
1qvb BETA-GLYCOSIDASE

(Thermosphaera
aggregans) 		PF00232
(Glyco_hydro_1) 		4 TYR A 378
LEU A 313
HIS A 245
THR A 205
 None
 1.35A 4paeA-1qvbA:
undetectable		 4paeA-1qvbA:
21.53
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.
1sml PROTEIN
(PENICILLINASE)

(Stenotrophomonas
maltophilia) 		PF00753
(Lactamase_B) 		4 PHE A 124
ASP A  88
HIS A  84
THR A 161
 None
ZN  A 270 (-2.4A)
ZN  A 271 (-3.2A)
None
 1.25A 4paeA-1smlA:
undetectable		 4paeA-1smlA:
18.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xre SUPEROXIDE DISMUTASE

(Bacillus
anthracis) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 PHE A 182
ASP A 165
HIS A  28
THR A  24
 None
MN  A 209 (-2.5A)
MN  A 209 (-3.3A)
None
 1.37A 4paeA-1xreA:
undetectable		 4paeA-1xreA:
13.53
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.
1yb5 QUINONE
OXIDOREDUCTASE

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 ASP A 233
LEU A 236
HIS A 155
THR A 179
 None
None
NAP  A 801 (-4.4A)
None
 1.34A 4paeA-1yb5A:
undetectable		 4paeA-1yb5A:
18.65
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.
1zx4 PLASMID PARTITION
PAR B PROTEIN

(Escherichia
virus P1) 		PF08775
(ParB) 		4 PHE A 199
ASP A 209
LEU A 213
THR A 261
 None
CIT  A1585 (-3.5A)
None
None
 1.35A 4paeA-1zx4A:
undetectable		 4paeA-1zx4A:
15.00
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.
2a4m TRYPTOPHANYL-TRNA
SYNTHETASE II

(Deinococcus
radiodurans) 		PF00579
(tRNA-synt_1b) 		4 PHE A 261
ASP A 288
LEU A 286
HIS A 246
 None
 1.25A 4paeA-2a4mA:
undetectable		 4paeA-2a4mA:
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.
2aey FRUCTAN
1-EXOHYDROLASE IIA

(Cichorium
intybus) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		4 PHE A 313
ASP A 366
TYR A  11
LEU A 337
 None
 1.37A 4paeA-2aeyA:
undetectable		 4paeA-2aeyA:
20.85
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.
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus sp.
NCIMB 12038) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		4 PHE A 236
ASP A 418
TYR A 419
HIS A 295
 None
None
None
IND  A 503 (-3.5A)
 1.12A 4paeA-2b24A:
undetectable		 4paeA-2b24A:
20.43
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.
2btj GREEN TO RED
PHOTOCONVERTIBLE
GPF-LIKE PROTEIN
EOSFP

(Lobophyllia
hemprichii) 		PF01353
(GFP) 		4 PHE A  95
TYR A 169
LEU A 161
THR A  59
 None
None
None
IEY  A  64 ( 4.2A)
 1.26A 4paeA-2btjA:
undetectable		 4paeA-2btjA:
14.83
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.
2cwo RNA SILENCING
SUPPRESSOR

(Beet yellows
virus) 		PF11479
(Suppressor_P21) 		4 PHE A 109
LEU A 137
HIS A 140
THR A  95
 None
 1.28A 4paeA-2cwoA:
undetectable		 4paeA-2cwoA:
13.57
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.
2ee4 RHO GTPASE
ACTIVATING PROTEIN 5
VARIANT

(Homo sapiens) 		PF00620
(RhoGAP) 		4 PHE A 175
TYR A 101
HIS A 187
THR A 184
 None
 1.31A 4paeA-2ee4A:
undetectable		 4paeA-2ee4A:
13.20
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.
2fv8 RHO-RELATED
GTP-BINDING PROTEIN
RHOB

(Homo sapiens) 		PF00071
(Ras) 		4 PHE A  25
TYR A  42
LEU A  57
THR A 175
 None
 1.33A 4paeA-2fv8A:
undetectable		 4paeA-2fv8A:
15.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gie TYPE II RESTRICTION
ENZYME HINCII

(Haemophilus
influenzae) 		PF09226
(Endonuc-HincII) 		4 PHE A  80
TYR A  59
LEU A  60
THR A  96
 None
 1.11A 4paeA-2gieA:
undetectable		 4paeA-2gieA:
16.64
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.
2gqd 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Staphylococcus
aureus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 ASP A 214
LEU A  51
HIS A  50
THR A  44
 None
 1.34A 4paeA-2gqdA:
undetectable		 4paeA-2gqdA:
20.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gw4 KAEDE

(Trachyphyllia
geoffroyi) 		PF01353
(GFP) 		4 PHE B  95
TYR B 169
LEU B 161
THR A  59
 None
None
None
RC7  B  63 ( 4.1A)
 1.27A 4paeA-2gw4B:
undetectable		 4paeA-2gw4B:
11.93
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.
2hk3 DIPHOSPHOMEVALONATE
DECARBOXYLASE

(Staphylococcus
aureus) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		4 PHE A 180
ASP A 283
LEU A 104
THR A  11
 None
 1.23A 4paeA-2hk3A:
undetectable		 4paeA-2hk3A:
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.
2hp3 IDS-EPIMERASE

(Agrobacterium
tumefaciens) 		PF03972
(MmgE_PrpD) 		4 PHE A 193
ASP A  88
HIS A  99
THR A 152
 UNX  A1206 (-4.5A)
None
UNX  A1201 (-3.6A)
UNX  A1207 ( 4.9A)
 1.37A 4paeA-2hp3A:
undetectable		 4paeA-2hp3A:
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.
2kg4 GROWTH ARREST AND
DNA-DAMAGE-INDUCIBLE
PROTEIN GADD45 ALPHA

(Homo sapiens) 		PF01248
(Ribosomal_L7Ae) 		4 PHE A  75
ASP A  62
LEU A  71
HIS A 123
 None
 1.26A 4paeA-2kg4A:
undetectable		 4paeA-2kg4A:
11.84
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.
2mcp IGA-KAPPA MCPC603
FAB (HEAVY CHAIN)

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 PHE H 154
ASP H 211
LEU H  11
THR H  93
 None
 1.21A 4paeA-2mcpH:
undetectable		 4paeA-2mcpH:
16.72
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.
2nvu MALTOSE BINDING
PROTEIN/NEDD8-ACTIVA
TING ENZYME E1
CATALYTIC SUBUNIT
CHIMERA

(Homo sapiens) 		PF00899
(ThiF)
PF08825
(E2_bind)
PF13416
(SBP_bac_8) 		4 PHE B2436
TYR B2367
LEU B2368
THR B2430
 None
 1.20A 4paeA-2nvuB:
undetectable		 4paeA-2nvuB:
23.06
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.
2nx9 OXALOACETATE
DECARBOXYLASE 2,
SUBUNIT ALPHA

(Vibrio cholerae) 		PF00682
(HMGL-like)
PF02436
(PYC_OADA) 		4 ASP A  17
LEU A  22
HIS A 209
THR A 211
 ZN  A 601 (-2.6A)
None
ZN  A 601 (-3.4A)
None
 1.19A 4paeA-2nx9A:
undetectable		 4paeA-2nx9A:
22.85
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.
2o08 BH1327 PROTEIN

(Bacillus
halodurans) 		PF01966
(HD) 		4 PHE A 135
ASP A 127
TYR A 128
HIS A  21
 None
FE  A 400 ( 2.7A)
None
FE  A 400 ( 3.3A)
 1.23A 4paeA-2o08A:
undetectable		 4paeA-2o08A:
14.31
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.
2p87 PRE-MRNA-SPLICING
FACTOR PRP8

(Caenorhabditis
elegans) 		PF01398
(JAB)
PF08084
(PROCT) 		4 ASP A2185
TYR A2221
HIS A2172
THR A2173
 None
 1.39A 4paeA-2p87A:
undetectable		 4paeA-2p87A:
16.80
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.
2pvp D-ALANINE-D-ALANINE
LIGASE

(Helicobacter
pylori) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		4 PHE A  44
ASP A  99
LEU A 108
HIS A  42
 None
 1.38A 4paeA-2pvpA:
undetectable		 4paeA-2pvpA:
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.
2rjb UNCHARACTERIZED
PROTEIN

(Shigella
flexneri) 		PF07063
(DUF1338) 		4 PHE A 388
TYR A 385
LEU A 262
THR A 226
 None
None
None
ZN  A 501 ( 4.9A)
 0.96A 4paeA-2rjbA:
undetectable		 4paeA-2rjbA:
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.
2vp1 PERIPLASMIC
IRON-BINDING PROTEIN

(Synechocystis
sp. PCC 6803) 		PF13343
(SBP_bac_6) 		4 PHE A  84
TYR A  51
LEU A  50
THR A 127
 None
 1.23A 4paeA-2vp1A:
undetectable		 4paeA-2vp1A:
22.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wyh ALPHA-MANNOSIDASE

(Streptococcus
pyogenes) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		4 PHE A 667
ASP A 566
LEU A 646
HIS A 674
 None
 1.36A 4paeA-2wyhA:
undetectable		 4paeA-2wyhA:
21.96
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.
2x98 ALKALINE PHOSPHATASE

(Halobacterium
salinarum) 		PF00245
(Alk_phosphatase) 		4 PHE A 122
ASP A  56
HIS A 347
THR A 113
 None
ZN  A1476 (-2.2A)
ZN  A1476 ( 3.1A)
None
 1.28A 4paeA-2x98A:
undetectable		 4paeA-2x98A:
22.54
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.
2z00 DIHYDROOROTASE

(Thermus
thermophilus) 		PF01979
(Amidohydro_1) 		4 ASP A  83
TYR A  81
LEU A  84
HIS A 116
 None
 1.25A 4paeA-2z00A:
undetectable		 4paeA-2z00A:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c26 PUTATIVE
ACETYLTRANSFERASE
TA0821

(Thermoplasma
acidophilum) 		PF00583
(Acetyltransf_1) 		4 PHE A 217
TYR A 145
LEU A 258
THR A  43
 None
 1.25A 4paeA-3c26A:
undetectable		 4paeA-3c26A:
16.57
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.
3dxq CHOLINE/ETHANOLAMINE
KINASE FAMILY
PROTEIN

(Mesorhizobium
loti) 		PF01633
(Choline_kinase) 		4 ASP A 207
TYR A 245
LEU A 205
HIS A 117
 None
 1.15A 4paeA-3dxqA:
undetectable		 4paeA-3dxqA:
17.34
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.
3fdh SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF12771
(SusD-like_2) 		4 PHE A 218
TYR A 208
LEU A 207
THR A  53
 None
 1.38A 4paeA-3fdhA:
undetectable		 4paeA-3fdhA:
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.
3fxb TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Ruegeria
pomeroyi) 		PF03480
(DctP) 		4 PHE A 277
ASP A 137
LEU A 138
THR A 202
 None
 1.20A 4paeA-3fxbA:
undetectable		 4paeA-3fxbA:
19.26
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.
3g77 CYTOSINE DEAMINASE

(Escherichia
coli) 		PF07969
(Amidohydro_3) 		4 ASP A 313
LEU A 282
HIS A 246
THR A 248
 FE  A 502 (-3.2A)
None
FE  A 502 ( 4.8A)
None
 1.37A 4paeA-3g77A:
undetectable		 4paeA-3g77A:
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.
3g77 CYTOSINE DEAMINASE

(Escherichia
coli) 		PF07969
(Amidohydro_3) 		4 ASP A 313
TYR A 320
HIS A 246
THR A 248
 FE  A 502 (-3.2A)
None
FE  A 502 ( 4.8A)
None
 0.97A 4paeA-3g77A:
undetectable		 4paeA-3g77A:
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.
3guy SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Vibrio
parahaemolyticus) 		PF00106
(adh_short) 		4 PHE A  64
TYR A 116
LEU A 112
THR A   5
 None
 1.21A 4paeA-3guyA:
undetectable		 4paeA-3guyA:
15.83
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.
3gwb PEPTIDASE M16
INACTIVE DOMAIN
FAMILY PROTEIN

(Pseudomonas
protegens) 		PF05193
(Peptidase_M16_C) 		4 PHE A 303
ASP A 263
TYR A 266
HIS A 407
 None
 0.97A 4paeA-3gwbA:
0.1		 4paeA-3gwbA:
22.04
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.
3hvy CYSTATHIONINE
BETA-LYASE FAMILY
PROTEIN, YNBB
B.SUBTILIS ORTHOLOG

(Clostridium
acetobutylicum) 		PF06838
(Met_gamma_lyase) 		4 ASP A  79
TYR A  82
LEU A  78
THR A 282
 None
 1.11A 4paeA-3hvyA:
undetectable		 4paeA-3hvyA:
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.
3i16 ALUMINUM RESISTANCE
PROTEIN

(Clostridium
novyi) 		PF06838
(Met_gamma_lyase) 		4 ASP A  78
TYR A  81
LEU A  77
THR A 282
 None
 1.09A 4paeA-3i16A:
undetectable		 4paeA-3i16A:
20.95
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.
3jb9 PRE-MRNA-SPLICING
FACTOR PRP5

(Schizosaccharomyces
pombe) 		PF00400
(WD40) 		4 PHE K 221
ASP K 260
LEU K 255
HIS K 217
 None
 1.34A 4paeA-3jb9K:
undetectable		 4paeA-3jb9K:
15.68
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.
3lfv CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF01590
(GAF) 		4 PHE A 361
ASP A 335
LEU A 336
HIS A  93
 None
 1.32A 4paeA-3lfvA:
undetectable		 4paeA-3lfvA:
19.43
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.
3lnb N-ACETYLTRANSFERASE
FAMILY PROTEIN

(Bacillus
anthracis) 		PF00797
(Acetyltransf_2) 		4 PHE A  38
ASP A 123
LEU A  72
HIS A 108
 COA  A1001 (-4.4A)
None
None
COA  A1001 ( 4.1A)
 1.25A 4paeA-3lnbA:
undetectable		 4paeA-3lnbA:
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.
3lq0 PROASTACIN

(Astacus astacus) 		PF01400
(Astacin) 		4 ASP A  21
TYR A  12
HIS A 102
THR A 105
 ZN  A 999 (-1.8A)
None
ZN  A 999 (-3.3A)
None
 1.17A 4paeA-3lq0A:
undetectable		 4paeA-3lq0A:
16.79
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.
3nrh UNCHARACTERIZED
PROTEIN BF1032

(Bacteroides
fragilis) 		PF16702
(DUF5063) 		4 PHE A  38
ASP A  91
LEU A  83
THR A 160
 None
 1.36A 4paeA-3nrhA:
undetectable		 4paeA-3nrhA:
12.92
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.
3p54 ENVELOPE
GLYCOPROTEIN

(Japanese
encephalitis
virus) 		PF00869
(Flavi_glycoprot)
PF02832
(Flavi_glycop_C) 		4 ASP A  42
LEU A   4
HIS A 144
THR A 356
 None
 1.15A 4paeA-3p54A:
undetectable		 4paeA-3p54A:
18.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q4i PHOSPHOHYDROLASE
(MUTT/NUDIX FAMILY
PROTEIN)

(Bacillus cereus) 		PF00293
(NUDIX)
PF12535
(Nudix_N) 		4 PHE A 148
ASP A 205
HIS A 135
THR A 184
 None
 1.25A 4paeA-3q4iA:
undetectable		 4paeA-3q4iA:
13.14
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.
3top MALTASE-GLUCOAMYLASE
, INTESTINAL

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		4 ASP A1684
TYR A1685
LEU A1709
HIS A1706
 None
 1.17A 4paeA-3topA:
undetectable		 4paeA-3topA:
21.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ut2 CATALASE-PEROXIDASE
2

(Magnaporthe
oryzae) 		PF00141
(peroxidase) 		5 ASP A 127
TYR A 131
LEU A 134
HIS A 320
THR A 358
 None
None
HEM  A1500 (-4.2A)
HEM  A1500 (-3.7A)
HEM  A1500 (-3.3A)
 0.31A 4paeA-3ut2A:
59.4		 4paeA-3ut2A:
51.18
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.
3utn THIOSULFATE
SULFURTRANSFERASE
TUM1

(Saccharomyces
cerevisiae) 		PF00581
(Rhodanese) 		4 PHE X 102
LEU X  33
HIS X  70
THR X 261
 None
 1.16A 4paeA-3utnX:
undetectable		 4paeA-3utnX:
18.26
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.
3wiq KOJIBIOSE
PHOSPHORYLASE

(Caldicellulosiruptor
saccharolyticus) 		PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N) 		4 PHE A 309
LEU A 679
HIS A 333
THR A  23
 None
 1.26A 4paeA-3wiqA:
undetectable		 4paeA-3wiqA:
20.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wxo CATALASE-PEROXIDASE

(Synechococcus
elongatus) 		PF00141
(peroxidase) 		5 ASP A  81
TYR A  85
LEU A  88
HIS A 269
THR A 307
 None
None
HEM  A 801 (-4.2A)
HEM  A 801 (-3.6A)
HEM  A 801 ( 3.3A)
 0.28A 4paeA-3wxoA:
66.9		 4paeA-3wxoA:
98.47
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.
4aah METHANOL
DEHYDROGENASE

(Methylophilus
methylotrophus) 		PF13360
(PQQ_2) 		4 PHE A 449
ASP A 345
LEU A 404
THR A 459
 None
 1.30A 4paeA-4aahA:
undetectable		 4paeA-4aahA:
22.42
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.
4c22 L-FUCOSE ISOMERASE

(Streptococcus
pneumoniae) 		PF02952
(Fucose_iso_C)
PF07881
(Fucose_iso_N1)
PF07882
(Fucose_iso_N2) 		4 PHE A 385
LEU A 480
HIS A 375
THR A 373
 None
 1.19A 4paeA-4c22A:
undetectable		 4paeA-4c22A:
22.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4c51 CATALASE-PEROXIDASE

(Mycobacterium
tuberculosis) 		PF00141
(peroxidase) 		5 ASP A  94
TYR A  98
LEU A 101
HIS A 276
THR A 314
 HEM  A1741 ( 4.9A)
None
HEM  A1741 ( 3.9A)
HEM  A1741 (-3.9A)
HEM  A1741 (-3.5A)
 0.30A 4paeA-4c51A:
60.5		 4paeA-4c51A:
54.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dq8 ACETATE KINASE

(Mycobacterium
marinum) 		PF00871
(Acetate_kinase) 		4 PHE A 293
ASP A 324
LEU A 198
THR A 331
 None
 1.30A 4paeA-4dq8A:
undetectable		 4paeA-4dq8A:
21.29
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.
4fcy TRANSPOSASE

(Escherichia
virus Mu) 		PF02316
(HTH_Tnp_Mu_1)
PF02914
(DDE_2)
PF09039
(HTH_Tnp_Mu_2)
PF09299
(Mu-transpos_C) 		4 ASP A 405
LEU A 400
HIS A 273
THR A 289
 None
 1.19A 4paeA-4fcyA:
undetectable		 4paeA-4fcyA:
23.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fys AMINOPEPTIDASE N

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		4 ASP A 473
TYR A 477
HIS A 453
THR A 457
 None
 1.29A 4paeA-4fysA:
undetectable		 4paeA-4fysA:
22.96
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.
4gri GLUTAMATE--TRNA
LIGASE

(Borreliella
burgdorferi) 		PF00749
(tRNA-synt_1c) 		4 TYR A 229
LEU A 228
HIS A 197
THR A 195
 None
 1.39A 4paeA-4griA:
undetectable		 4paeA-4griA:
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.
4h7u PYRANOSE
DEHYDROGENASE

(Leucoagaricus
meleagris) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 PHE A 367
LEU A 428
HIS A 556
THR A 109
 None
None
FED  A 801 (-3.6A)
None
 1.33A 4paeA-4h7uA:
undetectable		 4paeA-4h7uA:
21.16
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.
4hf7 PUTATIVE
ACYLHYDROLASE

(Bacteroides
thetaiotaomicron) 		PF13472
(Lipase_GDSL_2) 		4 ASP A 222
TYR A 209
HIS A  71
THR A  70
 None
 1.35A 4paeA-4hf7A:
undetectable		 4paeA-4hf7A:
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.
4j3b M1 FAMILY
AMINOPEPTIDASE

(Plasmodium
falciparum) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		4 PHE A 603
ASP A 436
TYR A 439
THR A 503
 None
 1.35A 4paeA-4j3bA:
undetectable		 4paeA-4j3bA:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kr5 GLUTAMINE ABC
TRANSPORTER PERMEASE
AND SUBSTRATE
BINDING PROTEIN
PROTEIN

(Lactococcus
lactis) 		PF00497
(SBP_bac_3) 		4 ASP A 364
TYR A 389
LEU A 365
THR A 352
 None
 1.36A 4paeA-4kr5A:
undetectable		 4paeA-4kr5A:
14.81
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.
4le6 ORGANOPHOSPHORUS
HYDROLASE

(Pseudomonas
pseudoalcaligenes) 		PF00753
(Lactamase_B) 		4 PHE A 263
ASP A 247
HIS A 294
THR A  87
 None
ZN  A 406 ( 2.3A)
ZN  A 406 (-3.2A)
None
 1.28A 4paeA-4le6A:
undetectable		 4paeA-4le6A:
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.
4mtl PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21C

(Homo sapiens) 		PF10294
(Methyltransf_16) 		4 PHE A 180
TYR A 211
LEU A 212
THR A 138
 None
UNX  A1009 ( 4.9A)
None
None
 1.28A 4paeA-4mtlA:
undetectable		 4paeA-4mtlA:
16.08
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.
4o2x MALTOSE-BINDING
PERIPLASMIC PROTEIN,
ATP-DEPENDENT CLP
PROTEASE ADAPTOR
PROTEIN CLPS
CONTAINING PROTEIN
CHIMERIC CONSTRUCT

(Escherichia
coli;
Plasmodium
falciparum) 		PF02617
(ClpS)
PF13416
(SBP_bac_8) 		4 ASP A 416
LEU A 475
HIS A 448
THR A 444
 None
 1.23A 4paeA-4o2xA:
undetectable		 4paeA-4o2xA:
21.95
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.
4o8m TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Actinobacillus
succinogenes) 		PF03480
(DctP) 		4 ASP A  91
LEU A 176
HIS A 235
THR A 233
 2Q2  A 403 (-4.2A)
None
2Q2  A 403 (-3.9A)
None
 1.28A 4paeA-4o8mA:
undetectable		 4paeA-4o8mA:
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.
4o9r SMOOTHENED
HOMOLOG/SOLUBLE
CYTOCHROME B562
CHIMERIC PROTEIN

(Escherichia
coli;
Homo sapiens) 		PF01534
(Frizzled)
PF07361
(Cytochrom_B562) 		4 TYR A 322
LEU A 325
HIS A 470
THR A 466
 None
 1.08A 4paeA-4o9rA:
undetectable		 4paeA-4o9rA:
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.
4p1e TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Escherichia
fergusonii) 		PF03480
(DctP) 		4 PHE A 300
ASP A 165
LEU A 166
THR A 230
 None
 1.29A 4paeA-4p1eA:
undetectable		 4paeA-4p1eA:
19.09
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.
4p8b TRAP-TYPE
TRANSPORTER,
PERIPLASMIC
COMPONENT

(Cupriavidus
necator) 		PF03480
(DctP) 		4 PHE A 312
ASP A 169
LEU A 170
THR A 235
 None
 1.29A 4paeA-4p8bA:
undetectable		 4paeA-4p8bA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ppy PUTATIVE
ACYLHYDROLASE

(Bacteroides
fragilis) 		PF13472
(Lipase_GDSL_2) 		4 ASP A 220
TYR A 207
HIS A  69
THR A  68
 None
 1.33A 4paeA-4ppyA:
undetectable		 4paeA-4ppyA:
13.85
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.
4r84 SIALYLTRANSFERASE
0160

(Photobacterium
damselae) 		PF11477
(PM0188) 		4 ASP A 285
TYR A 286
LEU A 226
HIS A 223
 None
 1.11A 4paeA-4r84A:
undetectable		 4paeA-4r84A:
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.
4v16 SVP1-LIKE PROTEIN 2

(Kluyveromyces
lactis) 		no annotation 4 PHE A 121
LEU A 103
HIS A  63
THR A  65
 None
 1.17A 4paeA-4v16A:
undetectable		 4paeA-4v16A:
17.34
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.
4yf1 LMO0812 PROTEIN

(Listeria
monocytogenes) 		PF13328
(HD_4) 		4 ASP A 113
TYR A 170
HIS A  28
THR A  21
 None
 1.11A 4paeA-4yf1A:
undetectable		 4paeA-4yf1A:
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.
5aa5 NIFE-HYDROGENASE
LARGE SUBUNIT, HOFG

(Cupriavidus
necator) 		PF00374
(NiFeSe_Hases) 		4 PHE C 182
TYR C 165
LEU C 244
THR C 453
 None
 1.34A 4paeA-5aa5C:
0.0		 4paeA-5aa5C:
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.
5chc DMSO REDUCTASE
FAMILY TYPE II
ENZYME,
MOLYBDOPTERIN
SUBUNIT

(Azospira oryzae) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		4 PHE A 737
TYR A 865
LEU A 868
THR A 173
 None
 1.37A 4paeA-5chcA:
undetectable		 4paeA-5chcA:
21.21
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.
5fb3 GLYCEROL-1-PHOSPHATE
DEHYDROGENASE
[NAD(P)+]

(Pyrobaculum
calidifontis) 		PF13685
(Fe-ADH_2) 		4 ASP A 167
TYR A 316
LEU A 170
HIS A 271
 None
 1.11A 4paeA-5fb3A:
undetectable		 4paeA-5fb3A:
16.92
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.
5hif RECONSTRUCTED
LACTONASE ANCESTOR,
ANC1-MPH

(synthetic
construct) 		PF00753
(Lactamase_B) 		4 PHE A 239
ASP A 221
HIS A 268
THR A  62
 PEG  A 403 ( 3.8A)
ZN  A 401 ( 2.4A)
ZN  A 401 ( 3.2A)
None
 1.31A 4paeA-5hifA:
undetectable		 4paeA-5hifA:
18.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5im3 RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE

(Pseudomonas
aeruginosa) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF03477
(ATP-cone) 		4 ASP A 514
TYR A 516
HIS A 582
THR A 594
 None
 1.33A 4paeA-5im3A:
0.0		 4paeA-5im3A:
21.66
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.
5iuf BIFUNCTIONAL
OLIGORIBONUCLEASE
AND PAP PHOSPHATASE
NRNA

(Bacillus
subtilis) 		PF01368
(DHH)
PF02272
(DHHA1) 		4 ASP A  24
TYR A  28
HIS A  20
THR A  81
 None
 1.39A 4paeA-5iufA:
undetectable		 4paeA-5iufA:
18.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5kqi CATALASE-PEROXIDASE

(Burkholderia
pseudomallei) 		PF00141
(peroxidase) 		5 ASP A  98
TYR A 102
LEU A 105
HIS A 285
THR A 323
 None
None
HEM  A 801 (-4.1A)
HEM  A 801 (-3.7A)
HEM  A 801 (-3.4A)
 0.28A 4paeA-5kqiA:
62.4		 4paeA-5kqiA:
61.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l7d SMOOTHENED
HOMOLOG,SOLUBLE
CYTOCHROME
B562,SMOOTHENED
HOMOLOG

(Escherichia
coli;
Homo sapiens) 		PF01392
(Fz)
PF01534
(Frizzled)
PF07361
(Cytochrom_B562) 		4 TYR A 322
LEU A 325
HIS A 470
THR A 466
 None
 1.17A 4paeA-5l7dA:
undetectable		 4paeA-5l7dA:
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.
5lq3 CMEB

(Campylobacter
jejuni) 		PF00873
(ACR_tran) 		4 PHE A 798
TYR A 733
LEU A 735
THR A 743
 None
 1.34A 4paeA-5lq3A:
undetectable		 4paeA-5lq3A:
20.62
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.
5mjs TUBULIN ALPHA-1
CHAIN

(Schizosaccharomyces
pombe) 		no annotation 4 PHE E 271
TYR E 436
LEU E 432
THR E 195
 None
 1.05A 4paeA-5mjsE:
undetectable		 4paeA-5mjsE:
7.50
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.
5no8 BACCELL_00875

(Bacteroides
cellulosilyticus) 		no annotation 4 ASP A 331
TYR A 265
HIS A 329
THR A 328
 None
 1.29A 4paeA-5no8A:
undetectable		 4paeA-5no8A:
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.
5swi SUGAR HYDROLASE

(Streptococcus
pneumoniae) 		no annotation 4 PHE B 276
ASP B 349
TYR B  74
LEU B 177
 None
 1.36A 4paeA-5swiB:
undetectable		 4paeA-5swiB:
21.42
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.
5v57 SMOOTHENED
HOMOLOG,FLAVODOXIN,S
MOOTHENED HOMOLOG

(Desulfovibrio
vulgaris;
Homo sapiens) 		PF00258
(Flavodoxin_1)
PF01392
(Fz)
PF01534
(Frizzled) 		4 TYR A 322
LEU A 325
HIS A 470
THR A 466
 None
None
836  A1201 ( 4.9A)
None
 1.15A 4paeA-5v57A:
undetectable		 4paeA-5v57A:
21.62
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.
5whs CATALASE-PEROXIDASE

(Neurospora
crassa) 		no annotation 5 ASP A  77
TYR A  81
LEU A  84
HIS A 285
THR A 323
 None
None
HEM  A 800 (-4.2A)
HEM  A 800 (-3.9A)
HEM  A 800 (-3.6A)
 0.31A 4paeA-5whsA:
60.7		 4paeA-5whsA:
6.34
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.
5x18 CASEIN KINASE I
HOMOLOG 1

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		4 PHE A 212
TYR A 186
LEU A 179
THR A 122
 None
 1.07A 4paeA-5x18A:
undetectable		 4paeA-5x18A:
16.69
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.
6ayh TETR FAMILY
TRANSCRIPTIONAL
REGULATOR

(Salmonella
enterica) 		no annotation 4 PHE A  76
TYR A  88
LEU A  89
THR A 165
 C3G  A 302 (-4.7A)
None
C3G  A 302 ( 4.9A)
C3G  A 302 (-3.3A)
 1.30A 4paeA-6ayhA:
undetectable		 4paeA-6ayhA:
6.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bv2 AMINOPEPTIDASE N

(Sus scrofa) 		no annotation 4 PHE A 390
TYR A 327
LEU A 499
THR A 507
 None
 1.34A 4paeA-6bv2A:
undetectable		 4paeA-6bv2A:
7.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eyu BACTERIORHODOPSIN

(Candidatus
Nanosalina sp.
J07AB43) 		no annotation 4 PHE A  93
ASP A 102
TYR A 101
LEU A 104
 None
MUN  A 311 ( 4.4A)
MUN  A 310 (-4.6A)
None
 1.35A 4paeA-6eyuA:
undetectable		 4paeA-6eyuA:
7.09
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.
6g2j NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
9, MITOCHONDRIAL

(Mus musculus) 		no annotation 4 PHE P 182
LEU P 193
HIS P 288
THR P 200
 None
 1.06A 4paeA-6g2jP:
undetectable		 4paeA-6g2jP:
8.40