SIMILAR PATTERNS OF AMINO ACIDS FOR 5JLC_A_1YNA602_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.
1bs0 PROTEIN
(8-AMINO-7-OXONANOAT
E SYNTHASE)

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		5 ALA A 134
ILE A  58
GLY A  51
THR A 365
HIS A 207
 None
 1.36A 5jlcA-1bs0A:
0.3		 5jlcA-1bs0A:
21.79
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.
1d0n HORSE PLASMA
GELSOLIN

(Equus caballus) 		PF00626
(Gelsolin) 		5 TYR A 464
ILE A 448
PHE A 441
THR A 549
MET A 517
 None
 1.26A 5jlcA-1d0nA:
0.1		 5jlcA-1d0nA:
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.
1d1t ALCOHOL
DEHYDROGENASE CLASS
IV SIGMA CHAIN

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		6 ALA A 158
PHE A  21
ILE A  53
PHE A 146
THR A 370
THR A  70
 None
 1.38A 5jlcA-1d1tA:
undetectable		 5jlcA-1d1tA:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1i9z PHOSPHATIDYLINOSITOL
PHOSPHATE
PHOSPHATASE

(Schizosaccharomyces
pombe) 		PF03372
(Exo_endo_phos) 		5 PHE A 686
ILE A 660
TYR A 688
PHE A 695
HIS A 827
 None
 1.17A 5jlcA-1i9zA:
undetectable		 5jlcA-1i9zA:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jmz AMINE DEHYDROGENASE

(Pseudomonas
putida) 		no annotation 5 ALA B   9
PHE B  97
ILE B  67
GLY B  46
THR B  17
 None
 1.22A 5jlcA-1jmzB:
undetectable		 5jlcA-1jmzB:
19.89
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.
1lln ANTIVIRAL PROTEIN 3

(Phytolacca
americana) 		PF00161
(RIP) 		5 ALA A  62
GLY A 192
PHE A 162
THR A 171
MET A 169
 None
None
None
None
MLY  A 134 ( 4.8A)
 1.26A 5jlcA-1llnA:
undetectable		 5jlcA-1llnA:
19.58
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.
1mqq ALPHA-D-GLUCURONIDAS
E

(Geobacillus
stearothermophilus) 		PF03648
(Glyco_hydro_67N)
PF07477
(Glyco_hydro_67C)
PF07488
(Glyco_hydro_67M) 		5 ALA A 338
PHE A 663
ILE A 608
GLY A 550
PHE A 588
 None
 1.09A 5jlcA-1mqqA:
undetectable		 5jlcA-1mqqA:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pe9 PECTATE LYASE A

(Dickeya
chrysanthemi) 		PF00544
(Pec_lyase_C) 		5 ILE A 338
PHE A 253
GLY A  16
THR A 197
HIS A 159
 None
 1.12A 5jlcA-1pe9A:
undetectable		 5jlcA-1pe9A:
21.44
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.
1ps9 2,4-DIENOYL-COA
REDUCTASE

(Escherichia
coli) 		PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2) 		5 ALA A 415
PHE A 268
ILE A 249
PHE A 527
HIS A 579
 FAD  A 701 (-3.6A)
None
None
None
None
 1.16A 5jlcA-1ps9A:
undetectable		 5jlcA-1ps9A:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1puj CONSERVED
HYPOTHETICAL PROTEIN
YLQF

(Bacillus
subtilis) 		PF01926
(MMR_HSR1) 		5 ALA A 240
ILE A  35
GLY A 193
PHE A 272
THR A 259
 None
 1.01A 5jlcA-1pujA:
undetectable		 5jlcA-1pujA:
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.
1u8v GAMMA-AMINOBUTYRATE
METABOLISM
DEHYDRATASE/ISOMERAS
E

(Clostridium
aminobutyricum) 		PF03241
(HpaB)
PF11794
(HpaB_N) 		5 ILE A 443
TYR A 452
GLY A 309
HIS A 335
PHE A 376
 None
 1.30A 5jlcA-1u8vA:
undetectable		 5jlcA-1u8vA:
21.39
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.
1ve1 O-ACETYLSERINE
SULFHYDRYLASE

(Thermus
thermophilus) 		PF00291
(PALP) 		5 ALA A  78
PHE A 246
TYR A 301
GLY A 265
THR A  73
 None
 1.33A 5jlcA-1ve1A:
undetectable		 5jlcA-1ve1A:
21.51
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.
1zef ALKALINE PHOSPHATASE

(Homo sapiens) 		PF00245
(Alk_phosphatase) 		5 ALA A 157
PHE A  74
GLY A 342
PHE A 307
THR A 147
 None
 1.27A 5jlcA-1zefA:
undetectable		 5jlcA-1zefA:
23.18
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.
1zh8 OXIDOREDUCTASE

(Thermotoga
maritima) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 ALA A 147
PHE A 310
PHE A 226
THR A 251
MET A 154
 None
 1.33A 5jlcA-1zh8A:
undetectable		 5jlcA-1zh8A:
21.12
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.
1zsw GLYOXALASE FAMILY
PROTEIN

(Bacillus cereus) 		PF00903
(Glyoxalase) 		5 ALA A 234
TYR A 180
GLY A 158
PHE A 178
THR A 273
 None
 1.19A 5jlcA-1zswA:
undetectable		 5jlcA-1zswA:
20.50
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.
2b3x IRON-RESPONSIVE
ELEMENT BINDING
PROTEIN 1

(Homo sapiens) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		5 ALA A 794
ILE A 686
GLY A 710
HIS A 804
PHE A 724
 None
 1.01A 5jlcA-2b3xA:
undetectable		 5jlcA-2b3xA:
19.40
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.
2bfr HYPOTHETICAL PROTEIN
AF1521

(Archaeoglobus
fulgidus) 		PF01661
(Macro) 		5 ALA A 127
ILE A 144
TYR A 145
GLY A  40
THR A  59
 None
ADP  A1193 (-3.7A)
ADP  A1193 (-3.4A)
None
None
 0.98A 5jlcA-2bfrA:
undetectable		 5jlcA-2bfrA:
18.09
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.
2bwg GMP REDUCTASE I

(Homo sapiens) 		PF00478
(IMPDH) 		5 ALA A 206
TYR A 285
GLY A  59
THR A  74
MET A 240
 None
None
None
None
5GP  A1340 (-3.5A)
 1.32A 5jlcA-2bwgA:
undetectable		 5jlcA-2bwgA:
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.
2bwg GMP REDUCTASE I

(Homo sapiens) 		PF00478
(IMPDH) 		5 ALA A 209
TYR A 285
GLY A  59
THR A  74
MET A 240
 None
None
None
None
5GP  A1340 (-3.5A)
 1.34A 5jlcA-2bwgA:
undetectable		 5jlcA-2bwgA:
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.
2cwq HYPOTHETICAL PROTEIN
TTHA0727

(Thermus
thermophilus) 		PF02627
(CMD) 		5 ALA A  90
ILE A  24
GLY A  39
THR A  43
THR A  56
 None
 1.35A 5jlcA-2cwqA:
undetectable		 5jlcA-2cwqA:
14.86
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.
2dd7 GREEN FLUORESCENT
PROTEIN

(Chiridius
poppei) 		PF01353
(GFP) 		5 ALA A 155
TYR A  59
PHE A 182
ILE A  71
TYR A  72
 None
CR2  A  56 ( 4.4A)
None
None
None
 1.16A 5jlcA-2dd7A:
undetectable		 5jlcA-2dd7A:
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.
2f4o PEPTIDE N-GLYCANASE

(Mus musculus) 		PF01841
(Transglut_core) 		5 ALA A 319
PHE A 289
ILE A 245
PHE A 238
THR A 314
 None
 1.34A 5jlcA-2f4oA:
undetectable		 5jlcA-2f4oA:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hf0 BILE SALT HYDROLASE

(Bifidobacterium
longum) 		PF02275
(CBAH) 		5 ALA A 230
ILE A  29
PHE A 275
GLY A  57
THR A 171
 None
 1.32A 5jlcA-2hf0A:
undetectable		 5jlcA-2hf0A:
19.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2inc TOLUENE, O-XYLENE
MONOOXYGENASE
OXYGENASE SUBUNIT

(Pseudomonas
stutzeri) 		PF02332
(Phenol_Hydrox)
PF04945
(YHS) 		5 ILE A 244
GLY A 238
THR A 193
PHE A 117
THR A 182
 None
 1.32A 5jlcA-2incA:
undetectable		 5jlcA-2incA:
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.
2jtc STREPTOPAIN

(Streptococcus
pyogenes) 		PF01640
(Peptidase_C10) 		5 PHE A 151
ILE A  90
GLY A 124
THR A  45
THR A 103
 None
 1.21A 5jlcA-2jtcA:
undetectable		 5jlcA-2jtcA:
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.
2o3b NUCLEASE

(Nostoc sp. PCC
7120) 		PF01223
(Endonuclease_NS) 		5 ALA A 140
TYR A 254
GLY A 184
THR A 195
MET A 148
 None
 1.03A 5jlcA-2o3bA:
undetectable		 5jlcA-2o3bA:
17.69
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.
2o6x SECRETED CATHEPSIN L
1

(Fasciola
hepatica) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		5 ALA A 231
TYR A 248
TYR A  56
GLY A  59
HIS A 260
 None
 1.18A 5jlcA-2o6xA:
undetectable		 5jlcA-2o6xA:
20.68
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.
2qm0 BES

(Bacillus cereus) 		PF00756
(Esterase) 		5 ALA A 249
PHE A 128
ILE A 132
GLY A  85
PHE A 178
 None
 1.16A 5jlcA-2qm0A:
undetectable		 5jlcA-2qm0A:
19.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qm0 BES

(Bacillus cereus) 		PF00756
(Esterase) 		5 PHE A 128
ILE A 132
PHE A 101
GLY A  85
PHE A 178
 None
 1.24A 5jlcA-2qm0A:
undetectable		 5jlcA-2qm0A:
19.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qqp LARGE CAPSID PROTEIN
SMALL CAPSID PROTEIN

(Providence
virus) 		PF03566
(Peptidase_A21) 		5 ALA A 491
ILE B 582
PHE A  85
GLY B 568
MET A  89
 None
 1.28A 5jlcA-2qqpA:
undetectable		 5jlcA-2qqpA:
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.
2r6f EXCINUCLEASE ABC
SUBUNIT A

(Geobacillus
stearothermophilus) 		PF00005
(ABC_tran) 		5 ALA A 482
ILE A 115
PHE A 441
GLY A 422
THR A 477
 None
 1.19A 5jlcA-2r6fA:
undetectable		 5jlcA-2r6fA:
20.22
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.
2vca ALPHA-N-ACETYLGLUCOS
AMINIDASE

(Clostridium
perfringens) 		PF00754
(F5_F8_type_C)
PF05089
(NAGLU)
PF12971
(NAGLU_N)
PF12972
(NAGLU_C) 		5 ALA A 602
PHE A 704
ILE A 644
THR A 654
MET A 572
 None
 1.21A 5jlcA-2vcaA:
undetectable		 5jlcA-2vcaA:
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.
2vca ALPHA-N-ACETYLGLUCOS
AMINIDASE

(Clostridium
perfringens) 		PF00754
(F5_F8_type_C)
PF05089
(NAGLU)
PF12971
(NAGLU_N)
PF12972
(NAGLU_C) 		5 PHE A 300
ILE A 333
TYR A 368
GLY A 477
THR A 487
 None
None
None
None
GOL  A1913 ( 4.4A)
 1.25A 5jlcA-2vcaA:
undetectable		 5jlcA-2vcaA:
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.
2vr2 DIHYDROPYRIMIDINASE

(Homo sapiens) 		PF01979
(Amidohydro_1) 		5 ALA A 113
ILE A 234
GLY A 270
HIS A  69
PHE A 161
 None
None
None
ZN  A1494 (-3.3A)
None
 1.16A 5jlcA-2vr2A:
undetectable		 5jlcA-2vr2A:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xrm INTRACELLULAR
SUBTILISIN PROTEASE

(Bacillus
clausii) 		PF00082
(Peptidase_S8) 		5 ALA A  60
PHE A 211
ILE A  27
GLY A 231
THR A  88
 None
 1.22A 5jlcA-2xrmA:
undetectable		 5jlcA-2xrmA:
19.34
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.
2y8n 4-HYDROXYPHENYLACETA
TE DECARBOXYLASE
LARGE SUBUNIT

(Clostridium
scatologenes) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 ALA A  51
PHE A 537
ILE A 750
PHE A 214
GLY A 532
 None
 1.14A 5jlcA-2y8nA:
undetectable		 5jlcA-2y8nA:
20.02
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.
2yoc PULLULANASE

(Klebsiella
oxytoca) 		PF02922
(CBM_48)
PF03714
(PUD)
PF11852
(DUF3372) 		5 ALA A 471
PHE A 691
ILE A 689
PHE A 664
THR A 596
 None
 1.33A 5jlcA-2yocA:
undetectable		 5jlcA-2yocA:
18.03
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.
2zsk 226AA LONG
HYPOTHETICAL
ASPARTATE RACEMASE

(Pyrococcus
horikoshii) 		PF01177
(Asp_Glu_race) 		5 ALA A 107
PHE A  48
ILE A  61
GLY A   9
THR A  15
 None
 1.13A 5jlcA-2zskA:
undetectable		 5jlcA-2zskA:
19.40
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.
3cgh SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF12741
(SusD-like) 		5 ALA A 149
PHE A 317
ILE A 302
GLY A 348
THR A  66
 None
 1.31A 5jlcA-3cghA:
undetectable		 5jlcA-3cghA:
20.65
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.
3hj4 MINOR
EDITOSOME-ASSOCIATED
TUTASE

(Trypanosoma
brucei) 		no annotation 5 ALA A  18
PHE A 358
ILE A 354
PHE A 251
THR A 187
 None
 1.12A 5jlcA-3hj4A:
undetectable		 5jlcA-3hj4A:
22.68
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.
3hp0 PUTATIVE POLYKETIDE
BIOSYNTHESIS
ENOYL-COA HYDRATASE
HOMOLOG PKSH

(Bacillus
subtilis) 		PF00378
(ECH_1) 		5 ALA A 226
PHE A  22
ILE A   9
PHE A 118
THR A 103
 None
 1.33A 5jlcA-3hp0A:
undetectable		 5jlcA-3hp0A:
18.57
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.
3i45 TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
PROTEIN

(Rhodospirillum
rubrum) 		PF13458
(Peripla_BP_6) 		5 ALA A 248
PHE A 270
TYR A 274
GLY A 289
THR A 235
 None
 1.17A 5jlcA-3i45A:
undetectable		 5jlcA-3i45A:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ig4 XAA-PRO
AMINOPEPTIDASE

(Bacillus
anthracis) 		PF00557
(Peptidase_M24)
PF05195
(AMP_N) 		5 ALA A 209
ILE A 285
GLY A 371
PHE A 272
THR A 227
 None
 1.35A 5jlcA-3ig4A:
1.8		 5jlcA-3ig4A:
22.50
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.
3jq3 LOMBRICINE KINASE

(Urechis caupo) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		5 ALA A 201
ILE A 118
PHE A 212
GLY A 241
THR A 146
 None
 1.23A 5jlcA-3jq3A:
undetectable		 5jlcA-3jq3A:
21.15
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.
3led 3-OXOACYL-ACYL
CARRIER PROTEIN
SYNTHASE III

(Rhodopseudomonas
palustris) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 ALA A 338
PHE A  57
PHE A 199
HIS A 296
THR A 330
 None
 1.33A 5jlcA-3ledA:
undetectable		 5jlcA-3ledA:
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.
3mvu TENA FAMILY
TRANSCRIPTIONAL
REGULATOR

(Ruegeria sp.
TM1040) 		PF03070
(TENA_THI-4) 		5 ALA A 112
ILE A 164
GLY A  35
HIS A  44
THR A 224
 EDO  A 236 (-3.2A)
None
None
CL  A 239 (-4.0A)
None
 1.35A 5jlcA-3mvuA:
undetectable		 5jlcA-3mvuA:
19.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n23 SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1
SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT BETA-1

(Sus scrofa) 		PF00122
(E1-E2_ATPase)
PF00287
(Na_K-ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF13246
(Cation_ATPase) 		6 PHE B  50
ILE B  54
GLY A 857
THR A 918
HIS A 912
THR A 797
 None
None
None
None
None
OBN  A   1 (-2.8A)
 1.43A 5jlcA-3n23B:
undetectable		 5jlcA-3n23B:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nlc UNCHARACTERIZED
PROTEIN VP0956

(Vibrio
parahaemolyticus) 		no annotation 5 ALA A 511
ILE A 299
TYR A 318
GLY A 338
PHE A 333
 None
 0.96A 5jlcA-3nlcA:
undetectable		 5jlcA-3nlcA:
21.69
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.
3nmb PUTATIVE SUGAR
HYDROLASE

(Bacteroides
ovatus) 		PF06439
(DUF1080) 		5 ALA A 241
PHE A 119
ILE A 268
GLY A 266
THR A 236
 None
 1.33A 5jlcA-3nmbA:
undetectable		 5jlcA-3nmbA:
20.20
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.
3nra ASPARTATE
AMINOTRANSFERASE

(Rhodobacter
sphaeroides) 		PF00155
(Aminotran_1_2) 		5 ALA A 179
PHE A   7
ILE A   3
PHE A 144
THR A 121
 None
 1.27A 5jlcA-3nraA:
undetectable		 5jlcA-3nraA:
22.62
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.
3oqq PUTATIVE LIPOPROTEIN

(Bacteroides
ovatus) 		PF16129
(DUF4841)
PF16130
(DUF4842) 		5 ALA A 231
ILE A 453
TYR A 455
GLY A 207
THR A 291
 None
None
None
CA  A 457 (-3.7A)
PGE  A 462 (-3.4A)
 1.36A 5jlcA-3oqqA:
undetectable		 5jlcA-3oqqA:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tqo CYSTEINYL-TRNA
SYNTHETASE

(Coxiella
burnetii) 		PF01406
(tRNA-synt_1e)
PF09190
(DALR_2) 		5 PHE A  48
ILE A  47
TYR A 299
GLY A 228
HIS A 158
 None
 1.15A 5jlcA-3tqoA:
undetectable		 5jlcA-3tqoA:
21.08
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.
3w9h ACRIFLAVINE
RESISTANCE PROTEIN B

(Escherichia
coli) 		PF00873
(ACR_tran) 		5 ALA A 654
PHE A 178
ILE A 277
PHE A 628
THR A 648
 None
 1.25A 5jlcA-3w9hA:
undetectable		 5jlcA-3w9hA:
19.65
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.
3wrf NON-REDUCING END
BETA-L-ARABINOFURANO
SIDASE

(Bifidobacterium
longum) 		PF07944
(Glyco_hydro_127) 		5 TYR A 385
ILE A 377
GLY A 372
THR A 312
THR A 318
 None
 1.26A 5jlcA-3wrfA:
undetectable		 5jlcA-3wrfA:
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.
3wvj BETA-GLUCANASE

(Ruminiclostridium
thermocellum) 		PF00722
(Glyco_hydro_16) 		5 TYR A 103
PHE A 180
ILE A 187
THR A 126
THR A  31
 None
 1.35A 5jlcA-3wvjA:
undetectable		 5jlcA-3wvjA:
17.03
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.
4ain GLYCINE BETAINE
TRANSPORTER BETP

(Corynebacterium
glutamicum) 		PF02028
(BCCT) 		5 PHE A 380
TYR A 197
GLY A 249
THR A 522
PHE A 110
 None
 1.26A 5jlcA-4ainA:
2.0		 5jlcA-4ainA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c2t DNA HELICASE II

(Deinococcus
radiodurans) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 ALA A 244
ILE A 260
TYR A 261
GLY A 575
PHE A  92
 None
None
None
ANP  A1664 (-3.4A)
None
 1.17A 5jlcA-4c2tA:
undetectable		 5jlcA-4c2tA:
21.46
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.
4c30 DNA HELICASE II

(Deinococcus
radiodurans) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 ALA A 244
ILE A 260
TYR A 261
GLY A 575
PHE A  92
 None
None
None
ANP  A1662 ( 3.7A)
None
 1.29A 5jlcA-4c30A:
undetectable		 5jlcA-4c30A:
21.83
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.
4d72 GLYCOSIDE HYDROLASE

(Streptococcus
pneumoniae) 		PF08306
(Glyco_hydro_98M)
PF08307
(Glyco_hydro_98C) 		5 TYR A 494
ILE A 541
GLY A 553
PHE A 493
THR A 460
 None
 1.03A 5jlcA-4d72A:
undetectable		 5jlcA-4d72A:
21.85
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.
4g9i HYDROGENASE
MATURATION PROTEIN
HYPF

(Thermococcus
kodakarensis) 		PF00708
(Acylphosphatase)
PF00814
(Peptidase_M22)
PF01300
(Sua5_yciO_yrdC)
PF07503
(zf-HYPF) 		5 ALA A 710
PHE A 666
ILE A 560
TYR A 541
THR A 722
 None
 1.23A 5jlcA-4g9iA:
undetectable		 5jlcA-4g9iA:
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.
4hxc PUTATIVE GLYCOSYL
HYDROLASE

(Bacteroides
uniformis) 		PF06439
(DUF1080) 		5 ALA A 244
PHE A 122
ILE A 271
GLY A 269
THR A 239
 None
 1.35A 5jlcA-4hxcA:
undetectable		 5jlcA-4hxcA:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l35 CRUXRHODOPSIN-3

(Haloarcula
vallismortis) 		PF01036
(Bac_rhodopsin) 		5 ALA A 101
TYR A  41
ILE A  26
GLY A  21
PHE A  40
 None
 1.36A 5jlcA-4l35A:
1.0		 5jlcA-4l35A:
20.94
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.
4lmb CYSTEINE SYNTHASE

(Microcystis
aeruginosa) 		PF00291
(PALP) 		5 ALA A 132
ILE A 240
GLY A 178
PHE A 230
THR A  74
 None
None
None
None
CYS  A 401 (-3.6A)
 1.13A 5jlcA-4lmbA:
undetectable		 5jlcA-4lmbA:
21.31
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.
4mni TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT

(Polaromonas sp.
JS666) 		PF03480
(DctP) 		5 ALA A 182
GLY A 271
THR A 275
PHE A 228
THR A 153
 None
 1.35A 5jlcA-4mniA:
undetectable		 5jlcA-4mniA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n7t PHOSPHOPENTOMUTASE

(Streptococcus
mutans) 		PF01676
(Metalloenzyme) 		5 ALA A 299
ILE A 383
PHE A 254
GLY A 101
HIS A 340
 None
None
None
None
MN  A 501 (-3.2A)
 1.03A 5jlcA-4n7tA:
1.0		 5jlcA-4n7tA:
20.83
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.
4phs PUTATIVE
GLYCOSYLTRANSFERASE
(GALT1)

(Streptococcus
parasanguinis) 		PF08759
(GT-D) 		5 ALA A 191
ILE A  42
TYR A  44
GLY A  30
THR A 112
 None
None
UDP  A 301 (-3.5A)
None
None
 1.01A 5jlcA-4phsA:
undetectable		 5jlcA-4phsA:
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.
4pju COHESIN SUBUNIT SA-2

(Homo sapiens) 		PF08514
(STAG) 		5 ALA A 857
PHE A 768
ILE A 771
TYR A 775
THR A 695
 None
 1.27A 5jlcA-4pjuA:
undetectable		 5jlcA-4pjuA:
19.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r3u 2-HYDROXYISOBUTYRYL-
COA MUTASE LARGE
SUBUNIT

(Aquincola
tertiaricarbonis) 		PF01642
(MM_CoA_mutase) 		5 ALA A 152
ILE A 201
PHE A 166
THR A 146
MET A 542
 None
 1.23A 5jlcA-4r3uA:
undetectable		 5jlcA-4r3uA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rv2 MAOC FAMILY PROTEIN
UPF0336 PROTEIN
MSMEG_1340/MSMEI_130
2

(Mycolicibacterium
smegmatis) 		PF01575
(MaoC_dehydratas)
PF13452
(MaoC_dehydrat_N) 		6 PHE B 104
ILE B  20
PHE B 132
GLY B  67
THR A  58
THR A 141
 None
 1.23A 5jlcA-4rv2B:
undetectable		 5jlcA-4rv2B:
13.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uhi STEROL 14-ALPHA
DEMETHYLASE

(Homo sapiens) 		PF00067
(p450) 		5 ALA A  74
TYR A 131
PHE A 139
TYR A 145
PHE A 234
 VFV  A 600 ( 4.9A)
VFV  A 580 (-4.1A)
VFV  A 580 (-4.2A)
HEM  A 540 (-4.5A)
VFV  A 580 (-3.5A)
 1.00A 5jlcA-4uhiA:
44.2		 5jlcA-4uhiA:
38.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uhi STEROL 14-ALPHA
DEMETHYLASE

(Homo sapiens) 		PF00067
(p450) 		5 ALA A  74
TYR A 131
PHE A 139
TYR A 145
THR A 315
 VFV  A 600 ( 4.9A)
VFV  A 580 (-4.1A)
VFV  A 580 (-4.2A)
HEM  A 540 (-4.5A)
HEM  A 540 (-3.6A)
 0.74A 5jlcA-4uhiA:
44.2		 5jlcA-4uhiA:
38.64
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.
4y5r METHYLAMINE
UTILIZATION PROTEIN
MAUG

(Paracoccus
denitrificans) 		PF03150
(CCP_MauG) 		5 ALA A  73
PHE A 185
PHE A 345
PHE A 171
THR A 219
 HEC  A 402 ( 4.6A)
None
None
None
None
 1.30A 5jlcA-4y5rA:
undetectable		 5jlcA-4y5rA:
21.13
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.
4y9s EPOXIDE HYDROLASE

(Solanum
tuberosum) 		PF00561
(Abhydrolase_1) 		5 ALA A 298
TYR A 154
PHE A 168
ILE A 164
HIS A 104
 None
 1.30A 5jlcA-4y9sA:
undetectable		 5jlcA-4y9sA:
19.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yw5 NEURAMINIDASE C

(Streptococcus
pneumoniae) 		PF02012
(BNR)
PF02973
(Sialidase)
PF13088
(BNR_2) 		5 TYR A 608
ILE A 638
TYR A 598
PHE A 626
GLY A 670
 None
 1.03A 5jlcA-4yw5A:
undetectable		 5jlcA-4yw5A:
23.42
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.
4z4l CELLOBIOSE
2-EPIMERASE

(Caldicellulosiruptor
saccharolyticus) 		PF07221
(GlcNAc_2-epim) 		5 ALA A 258
ILE A 293
TYR A 245
PHE A 317
PHE A 228
 None
 1.35A 5jlcA-4z4lA:
undetectable		 5jlcA-4z4lA:
20.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zmh UNCHARACTERIZED
PROTEIN

(Saccharophagus
degradans) 		PF15979
(Glyco_hydro_115) 		5 ALA A 925
GLY A 934
THR A 932
HIS A 929
THR A 872
 None
 1.24A 5jlcA-4zmhA:
1.0		 5jlcA-4zmhA:
19.15
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.
5ahk ACETOLACTATE
SYNTHASE II, LARGE
SUBUNIT

(Pseudomonas
protegens) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 TYR A 257
PHE A 227
GLY A 218
HIS A 414
THR A  62
 None
None
FAD  A 701 (-3.1A)
None
None
 1.07A 5jlcA-5ahkA:
undetectable		 5jlcA-5ahkA:
23.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fsa CYP51 VARIANT1

(Candida
albicans) 		PF00067
(p450) 		6 ALA A  61
PHE A 228
GLY A 308
THR A 311
HIS A 377
MET A 508
 X2N  A 590 (-3.5A)
X2N  A 590 (-4.9A)
HEM  A 580 (-3.6A)
HEM  A 580 (-3.6A)
X2N  A 590 (-4.3A)
X2N  A 590 (-4.8A)
 1.00A 5jlcA-5fsaA:
54.7		 5jlcA-5fsaA:
62.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fsa CYP51 VARIANT1

(Candida
albicans) 		PF00067
(p450) 		11 ALA A  61
TYR A 118
PHE A 126
ILE A 131
TYR A 132
PHE A 228
GLY A 307
THR A 311
HIS A 377
PHE A 380
MET A 508
 X2N  A 590 (-3.5A)
X2N  A 590 ( 4.0A)
X2N  A 590 (-4.8A)
X2N  A 590 (-4.2A)
HEM  A 580 (-4.1A)
X2N  A 590 (-4.9A)
X2N  A 590 (-3.5A)
HEM  A 580 (-3.6A)
X2N  A 590 (-4.3A)
X2N  A 590 ( 4.8A)
X2N  A 590 (-4.8A)
 0.53A 5jlcA-5fsaA:
54.7		 5jlcA-5fsaA:
62.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fsa CYP51 VARIANT1

(Candida
albicans) 		PF00067
(p450) 		5 TYR A 132
PHE A 126
PHE A 228
GLY A 307
THR A 311
 HEM  A 580 (-4.1A)
X2N  A 590 (-4.8A)
X2N  A 590 (-4.9A)
X2N  A 590 (-3.5A)
HEM  A 580 (-3.6A)
 1.18A 5jlcA-5fsaA:
54.7		 5jlcA-5fsaA:
62.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g5z ABC TRANSPORTER,
SUBSTRATE-BINDING
PROTEIN

(Streptococcus
pneumoniae) 		PF01547
(SBP_bac_1) 		5 ALA A  90
ILE A 142
TYR A 374
PHE A 349
THR A 154
 None
 1.30A 5jlcA-5g5zA:
undetectable		 5jlcA-5g5zA:
23.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hs1 LANOSTEROL 14-ALPHA
DEMETHYLASE

(Saccharomyces
cerevisiae) 		PF00067
(p450) 		5 ALA A  69
GLY A 315
THR A 318
HIS A 381
THR A 507
 None
HEM  A 601 (-3.5A)
HEM  A 601 (-3.4A)
None
None
 0.93A 5jlcA-5hs1A:
57.8		 5jlcA-5hs1A:
84.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hs1 LANOSTEROL 14-ALPHA
DEMETHYLASE

(Saccharomyces
cerevisiae) 		PF00067
(p450) 		11 ALA A  69
TYR A 126
PHE A 134
ILE A 139
TYR A 140
PHE A 236
GLY A 314
THR A 318
HIS A 381
PHE A 384
THR A 507
 None
VOR  A 602 ( 3.8A)
VOR  A 602 (-4.7A)
VOR  A 602 (-4.3A)
HEM  A 601 (-4.3A)
VOR  A 602 (-4.4A)
VOR  A 602 (-3.0A)
HEM  A 601 (-3.4A)
None
None
None
 0.66A 5jlcA-5hs1A:
57.8		 5jlcA-5hs1A:
84.08
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.
5mqm GLYCOSYL HYDROLASES
FAMILY 2, SUGAR
BINDING DOMAIN

(Bacteroides
thetaiotaomicron) 		PF17132
(Glyco_hydro_106) 		5 ALA A1017
PHE A 562
ILE A 621
TYR A 617
PHE A 595
 None
 1.11A 5jlcA-5mqmA:
undetectable		 5jlcA-5mqmA:
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.
5uao TRYPTOPHANE-5-HALOGE
NASE

(Microbispora
sp. ATCC
PTA-5024) 		PF04820
(Trp_halogenase) 		5 ALA A 456
PHE A 234
ILE A  68
THR A 256
HIS A 404
 None
None
FAD  A 601 (-3.8A)
None
None
 1.34A 5jlcA-5uaoA:
undetectable		 5jlcA-5uaoA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v4a GLYCOSYLTRANSFERASE
(DUF1792)

(Streptococcus
sanguinis) 		PF08759
(GT-D) 		5 ALA A 191
ILE A  41
TYR A  43
GLY A  29
THR A 112
 None
None
UDP  A 301 (-3.4A)
None
None
 1.01A 5jlcA-5v4aA:
undetectable		 5jlcA-5v4aA:
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.
5vkv CYTOCHROME C-TYPE
BIOGENESIS PROTEIN
CCDA

(Thermus
thermophilus) 		no annotation 5 ALA A 166
PHE A  54
TYR A 151
PHE A  50
PHE A  16
 None
 1.23A 5jlcA-5vkvA:
undetectable		 5jlcA-5vkvA:
9.32
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.
5vkv CYTOCHROME C-TYPE
BIOGENESIS PROTEIN
CCDA

(Thermus
thermophilus) 		no annotation 5 PHE A  54
TYR A 151
PHE A  50
THR A 125
PHE A  16
 None
 1.30A 5jlcA-5vkvA:
undetectable		 5jlcA-5vkvA:
9.32
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.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 ALA A 350
ILE A 114
TYR A 110
GLY A 133
THR A 159
 None
 1.21A 5jlcA-5w4bA:
undetectable		 5jlcA-5w4bA:
20.04
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.
5wl7 ENGINEERED CHALCONE
ISOMERASE ANCCHI*

(unidentified) 		no annotation 5 ALA A 129
PHE A  13
ILE A  11
GLY A  32
MET A 189
 None
None
None
None
CL  A 302 ( 4.1A)
 1.34A 5jlcA-5wl7A:
undetectable		 5jlcA-5wl7A:
9.73
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.
5x6x MRNA CAPPING ENZYME
P5

(Rice dwarf
virus) 		no annotation 5 ALA C 109
ILE C 208
TYR C 215
PHE C 181
MET C 577
 None
None
EDO  C 902 (-4.3A)
None
None
 1.32A 5jlcA-5x6xC:
undetectable		 5jlcA-5x6xC:
10.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE

(Naegleria
fowleri) 		no annotation 5 ALA A  54
TYR A 107
PHE A 114
TYR A 120
THR A 465
 None
TPF  A 506 (-4.2A)
TPF  A 506 (-4.4A)
None
None
 0.98A 5jlcA-6ay4A:
42.3		 5jlcA-6ay4A:
32.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE

(Naegleria
fowleri) 		no annotation 5 TYR A 107
PHE A 114
TYR A 120
THR A 297
THR A 465
 TPF  A 506 (-4.2A)
TPF  A 506 (-4.4A)
None
HEM  A 501 (-3.4A)
None
 0.65A 5jlcA-6ay4A:
42.3		 5jlcA-6ay4A:
32.26
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.
6b4h NUCLEOPORIN GLE1

(Chaetomium
thermophilum) 		no annotation 5 ALA A 266
PHE A 375
PHE A 333
GLY A 421
THR A 261
 None
 1.27A 5jlcA-6b4hA:
undetectable		 5jlcA-6b4hA:
14.25
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.
6bnp UNCONVENTIONAL
MYOSIN-VI

(Sus scrofa) 		no annotation 5 ALA I 422
PHE I 577
ILE I 579
PHE I 543
PHE I 647
 None
 1.17A 5jlcA-6bnpI:
undetectable		 5jlcA-6bnpI:
11.51
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.
6c49 ALCOHOL
DEHYDROGENASE

(Acinetobacter
baumannii) 		no annotation 5 ALA A 136
ILE A 322
THR A  57
HIS A 121
THR A  92
 None
 1.18A 5jlcA-6c49A:
undetectable		 5jlcA-6c49A:
8.09
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.
6f0k ACTF
POLYSULPHIDE
REDUCTASE NRFD

(Rhodothermus
marinus) 		no annotation 5 ALA C 330
PHE F 281
TYR F 284
THR C 315
PHE C 267
 None
 1.13A 5jlcA-6f0kC:
1.1		 5jlcA-6f0kC:
9.60
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.
6f74 ALCOHOL OXIDASE

(Thermothelomyces
thermophila) 		no annotation 5 ALA A 129
ILE A 434
GLY A 546
THR A 580
THR A 154
 None
None
None
None
FAD  A 601 (-4.2A)
 1.13A 5jlcA-6f74A:
undetectable		 5jlcA-6f74A:
11.09