SIMILAR PATTERNS OF AMINO ACIDS FOR 6AYB_A_KKKA508

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.
1czk FLAVODOXIN

(Synechococcus
elongatus) 		PF00258
(Flavodoxin_1) 		5 PHE A  78
ALA A 142
ALA A  88
THR A  14
ILE A  36
 None
None
FMN  A 170 (-3.8A)
FMN  A 170 (-3.5A)
None
 1.19A 6aybA-1czkA:
undetectable		 6aybA-1czkA:
16.52
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.
1ei5 D-AMINOPEPTIDASE

(Ochrobactrum
anthropi) 		PF00144
(Beta-lactamase)
PF07930
(DAP_B) 		5 TYR A 113
PHE A 145
ALA A 162
THR A  68
LEU A 103
 None
 1.12A 6aybA-1ei5A:
undetectable		 6aybA-1ei5A:
23.47
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.
1fta FRUCTOSE-1,6-BISPHOS
PHATASE

(Homo sapiens) 		PF00316
(FBPase) 		5 TYR A 244
PHE A 327
ALA A 250
LEU A 275
LEU A 318
 None
 1.17A 6aybA-1ftaA:
undetectable		 6aybA-1ftaA:
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.
1gud D-ALLOSE-BINDING
PERIPLASMIC PROTEIN

(Escherichia
coli) 		PF13407
(Peripla_BP_4) 		5 PHE A 124
ALA A 205
ALA A 209
THR A 218
LEU A 222
 None
 1.15A 6aybA-1gudA:
undetectable		 6aybA-1gudA:
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.
1jro XANTHINE
DEHYDROGENASE, CHAIN
A

(Rhodobacter
capsulatus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01799
(Fer2_2)
PF03450
(CO_deh_flav_C) 		5 PHE A 384
ALA A 439
ALA A 443
LEU A 401
ILE A 402
 None
 1.23A 6aybA-1jroA:
undetectable		 6aybA-1jroA:
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.
1lqa TAS PROTEIN

(Escherichia
coli) 		PF00248
(Aldo_ket_red) 		5 PHE A  23
TYR A  53
ALA A  85
LEU A 306
LEU A  18
 None
None
None
NDP  A1400 (-4.2A)
None
 1.23A 6aybA-1lqaA:
undetectable		 6aybA-1lqaA:
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.
1mb9 BETA-LACTAM
SYNTHETASE

(Streptomyces
clavuligerus) 		PF00733
(Asn_synthase)
PF13537
(GATase_7) 		5 ALA A 228
ALA A 224
LEU A 217
ILE A 216
LEU A 411
 None
 1.20A 6aybA-1mb9A:
undetectable		 6aybA-1mb9A:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mty METHANE
MONOOXYGENASE
HYDROXYLASE

(Methylococcus
capsulatus) 		PF02332
(Phenol_Hydrox) 		5 TYR D 137
PHE D  60
ALA B 167
ALA D 119
LEU D 204
 None
 1.04A 6aybA-1mtyD:
undetectable		 6aybA-1mtyD:
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.
1n21 (+)-BORNYL
DIPHOSPHATE SYNTHASE

(Salvia
officinalis) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 PHE A 152
ALA A 200
LEU A 130
ILE A 129
LEU A 107
 None
 1.19A 6aybA-1n21A:
undetectable		 6aybA-1n21A:
22.65
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.
1qi9 PROTEIN (VANADIUM
BROMOPEROXIDASE)

(Ascophyllum
nodosum) 		no annotation 5 ALA A 145
ALA A 147
THR A 161
LEU A 194
LEU A 168
 None
 1.12A 6aybA-1qi9A:
undetectable		 6aybA-1qi9A:
22.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rwr FILAMENTOUS
HEMAGGLUTININ

(Bordetella
pertussis) 		PF05860
(Haemagg_act) 		5 PHE A  39
ALA A  75
ALA A  99
ILE A  59
LEU A  92
 None
 1.19A 6aybA-1rwrA:
undetectable		 6aybA-1rwrA:
20.29
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.
1x7f OUTER SURFACE
PROTEIN

(Bacillus cereus) 		PF05913
(DUF871) 		5 ALA A 108
THR A 111
LEU A 143
ILE A 144
LEU A  98
 None
 1.22A 6aybA-1x7fA:
undetectable		 6aybA-1x7fA:
22.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1x8v CYTOCHROME P450 51

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		5 TYR A  76
PHE A  78
LEU A 321
ILE A 322
MET A 325
 ESL  A 471 ( 3.8A)
ESL  A 471 ( 4.9A)
HEM  A 470 (-4.1A)
None
None
 1.15A 6aybA-1x8vA:
41.6		 6aybA-1x8vA:
32.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1x8v CYTOCHROME P450 51

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		5 TYR A  76
THR A 260
LEU A 321
ILE A 322
MET A 325
 ESL  A 471 ( 3.8A)
HEM  A 470 (-3.6A)
HEM  A 470 (-4.1A)
None
None
 0.88A 6aybA-1x8vA:
41.6		 6aybA-1x8vA:
32.43
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.
2abk ENDONUCLEASE III

(Escherichia
coli) 		PF00633
(HHH)
PF00730
(HhH-GPD)
PF10576
(EndIII_4Fe-2S) 		5 PHE A 130
ALA A  35
THR A  92
LEU A  96
LEU A 111
 None
 1.18A 6aybA-2abkA:
undetectable		 6aybA-2abkA:
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.
2ae8 IMIDAZOLEGLYCEROL-PH
OSPHATE DEHYDRATASE

(Staphylococcus
aureus) 		PF00475
(IGPD) 		5 PHE A 135
PHE A 168
ALA A  53
ILE A  18
LEU A  38
 None
 1.08A 6aybA-2ae8A:
undetectable		 6aybA-2ae8A:
18.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2afb 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Thermotoga
maritima) 		PF00294
(PfkB) 		5 TYR A  31
PHE A 317
PHE A  89
ALA A  40
THR A  53
 None
 1.10A 6aybA-2afbA:
undetectable		 6aybA-2afbA:
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.
2cb1 O-ACETYL HOMOSERINE
SULFHYDRYLASE

(Thermus
thermophilus) 		PF01053
(Cys_Met_Meta_PP) 		5 TYR A 308
ALA A 316
ALA A 320
LEU A 185
MET A 286
 None
 1.23A 6aybA-2cb1A:
undetectable		 6aybA-2cb1A:
23.05
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.
2gaf POLY(A) POLYMERASE
CATALYTIC SUBUNIT

(Vaccinia virus) 		PF03296
(Pox_polyA_pol)
PF12629
(Pox_polyA_pol_C)
PF12630
(Pox_polyA_pol_N) 		5 TYR D 351
PHE D 352
ALA D 417
LEU D 442
LEU D 425
 None
 1.15A 6aybA-2gafD:
undetectable		 6aybA-2gafD:
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.
2huf ALANINE GLYOXYLATE
AMINOTRANSFERASE

(Aedes aegypti) 		PF00266
(Aminotran_5) 		5 TYR A  63
ALA A 272
LEU A 284
ILE A 285
LEU A 185
 None
 1.12A 6aybA-2hufA:
undetectable		 6aybA-2hufA:
23.60
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.
2iht CARBOXYETHYLARGININE
SYNTHASE

(Streptomyces
clavuligerus) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 PHE A 342
ALA A 206
ALA A 210
LEU A 243
LEU A 221
 None
 1.08A 6aybA-2ihtA:
undetectable		 6aybA-2ihtA:
23.00
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.
2iv2 FORMATE
DEHYDROGENASE H

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 TYR X 285
PHE X 244
ALA X 229
THR X 308
LEU X 312
 None
 1.25A 6aybA-2iv2X:
undetectable		 6aybA-2iv2X:
20.42
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.
2q8n GLUCOSE-6-PHOSPHATE
ISOMERASE

(Thermotoga
maritima) 		PF00342
(PGI) 		5 PHE A 199
ALA A 241
ALA A 245
LEU A 283
LEU A 278
 None
 1.21A 6aybA-2q8nA:
undetectable		 6aybA-2q8nA:
21.78
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.
2va8 SKI2-TYPE HELICASE

(Sulfolobus
solfataricus) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 PHE A 388
ALA A 262
ALA A 266
LEU A 274
LEU A 242
 None
 0.89A 6aybA-2va8A:
undetectable		 6aybA-2va8A:
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.
2vmd DISCOIDIN-2

(Dictyostelium
discoideum) 		PF00754
(F5_F8_type_C)
PF09458
(H_lectin) 		5 PHE A  73
TYR A 152
ALA A  12
ILE A  63
LEU A  16
 None
 1.22A 6aybA-2vmdA:
undetectable		 6aybA-2vmdA:
21.71
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.
2yev CAA3-TYPE CYTOCHROME
OXIDASE SUBUNIT IV
CYTOCHROME C OXIDASE
POLYPEPTIDE I+III

(Thermus
thermophilus) 		PF00115
(COX1)
PF00510
(COX3)
no annotation 		5 PHE A 244
PHE A 247
ALA A 727
ILE C  46
LEU A 635
 None
 1.24A 6aybA-2yevA:
undetectable		 6aybA-2yevA:
20.10
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.
3aak PROGRAMMED CELL
DEATH PROTEIN 6

(Homo sapiens) 		PF13202
(EF-hand_5)
PF13499
(EF-hand_7) 		5 ALA A 122
ALA A 118
LEU A 134
ILE A 133
LEU A 126
 None
 1.15A 6aybA-3aakA:
undetectable		 6aybA-3aakA:
15.45
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.
3aib GLUCOSYLTRANSFERASE-
SI

(Streptococcus
mutans) 		PF02324
(Glyco_hydro_70) 		5 TYR A 272
ALA A 257
THR A1078
LEU A1080
LEU A 266
 None
 1.12A 6aybA-3aibA:
undetectable		 6aybA-3aibA:
19.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3axi OLIGO-1,6-GLUCOSIDAS
E IMA1

(Saccharomyces
cerevisiae) 		PF00128
(Alpha-amylase) 		5 PHE A 543
ALA A 329
ALA A 331
ILE A 585
LEU A 378
 None
 1.21A 6aybA-3axiA:
undetectable		 6aybA-3axiA:
22.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c4n UNCHARACTERIZED
PROTEIN DR_0571

(Deinococcus
radiodurans) 		PF01266
(DAO) 		5 TYR A 285
ALA A 330
ALA A 150
LEU A 142
LEU A 126
 None
 1.16A 6aybA-3c4nA:
undetectable		 6aybA-3c4nA:
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.
3czq PUTATIVE
POLYPHOSPHATE KINASE
2

(Sinorhizobium
meliloti) 		PF03976
(PPK2) 		5 TYR A 134
PHE A 144
ALA A 176
THR A 244
LEU A 190
 None
 1.08A 6aybA-3czqA:
undetectable		 6aybA-3czqA:
20.77
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.
3ddn D-3-PHOSPHOGLYCERATE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF00389
(2-Hacid_dh)
PF01842
(ACT)
PF02826
(2-Hacid_dh_C) 		5 PHE A 308
ALA A 389
ALA A 391
ILE A 400
LEU A 367
 None
 1.23A 6aybA-3ddnA:
undetectable		 6aybA-3ddnA:
21.72
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.
3e03 SHORT CHAIN
DEHYDROGENASE

(Xanthomonas
campestris) 		PF13561
(adh_short_C2) 		5 PHE A 236
ALA A 123
THR A  13
LEU A  95
ILE A  94
 None
 1.23A 6aybA-3e03A:
undetectable		 6aybA-3e03A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gn3 PUTATIVE
PROTEIN-DISULFIDE
ISOMERASE

(Pseudomonas
syringae group
genomosp. 3) 		PF13462
(Thioredoxin_4) 		5 TYR A 143
ALA A   5
THR A  46
LEU A  14
ILE A 157
 None
 1.00A 6aybA-3gn3A:
undetectable		 6aybA-3gn3A:
17.85
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.
3hbn UDP-SUGAR HYDROLASE

(Campylobacter
jejuni) 		no annotation 5 TYR A 117
ALA A 260
ALA A 233
ILE A 142
LEU A 241
 None
 1.11A 6aybA-3hbnA:
undetectable		 6aybA-3hbnA:
21.14
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.
3hhd FATTY ACID SYNTHASE

(Homo sapiens) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 ALA A 339
THR A 325
LEU A  26
ILE A  27
LEU A 346
 None
 1.14A 6aybA-3hhdA:
undetectable		 6aybA-3hhdA:
19.10
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.
3izk CHAPERONIN

(Methanococcus
maripaludis) 		PF00118
(Cpn60_TCP1) 		5 ALA A 470
ALA A 474
THR A 478
LEU A  98
LEU A  72
 None
 1.18A 6aybA-3izkA:
undetectable		 6aybA-3izkA:
22.56
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.
3k0s DNA MISMATCH REPAIR
PROTEIN MUTS

(Escherichia
coli) 		PF00488
(MutS_V)
PF01624
(MutS_I)
PF05188
(MutS_II)
PF05190
(MutS_IV)
PF05192
(MutS_III) 		5 TYR A  37
ALA A  69
ALA A  47
ILE A 113
LEU A  29
 None
 1.23A 6aybA-3k0sA:
undetectable		 6aybA-3k0sA:
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.
3kbh ANGIOTENSIN-CONVERTI
NG ENZYME 2

(Homo sapiens) 		PF01401
(Peptidase_M2) 		5 TYR A 237
PHE A 523
ALA A 242
THR A 282
LEU A 444
 None
 1.20A 6aybA-3kbhA:
2.4		 6aybA-3kbhA:
21.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ksw STEROL 14-ALPHA
DEMETHYLASE

(Trypanosoma
cruzi) 		PF00067
(p450) 		5 TYR A 103
PHE A 110
ALA A 287
ALA A 291
THR A 295
 None
None
VNF  A 490 ( 3.9A)
VNF  A 490 ( 4.0A)
VNF  A 490 ( 4.0A)
 0.84A 6aybA-3kswA:
32.2		 6aybA-3kswA:
36.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3l4d STEROL 14-ALPHA
DEMETHYLASE

(Leishmania
infantum) 		PF00067
(p450) 		5 PHE A 109
TYR A 115
ALA A 286
ALA A 290
LEU A 207
 TPF  A 490 (-4.5A)
HEM  A 481 ( 4.9A)
TPF  A 490 (-3.4A)
TPF  A 490 ( 3.4A)
None
 1.04A 6aybA-3l4dA:
46.5		 6aybA-3l4dA:
36.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3l4d STEROL 14-ALPHA
DEMETHYLASE

(Leishmania
infantum) 		PF00067
(p450) 		9 TYR A 102
PHE A 104
PHE A 109
TYR A 115
ALA A 286
ALA A 290
THR A 294
LEU A 355
MET A 359
 HEM  A 481 (-4.7A)
None
TPF  A 490 (-4.5A)
HEM  A 481 ( 4.9A)
TPF  A 490 (-3.4A)
TPF  A 490 ( 3.4A)
TPF  A 490 ( 3.5A)
TPF  A 490 (-4.4A)
None
 0.81A 6aybA-3l4dA:
46.5		 6aybA-3l4dA:
36.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3l4d STEROL 14-ALPHA
DEMETHYLASE

(Leishmania
infantum) 		PF00067
(p450) 		9 TYR A 102
PHE A 104
PHE A 109
TYR A 115
PHE A 213
ALA A 286
ALA A 290
THR A 294
LEU A 355
 HEM  A 481 (-4.7A)
None
TPF  A 490 (-4.5A)
HEM  A 481 ( 4.9A)
None
TPF  A 490 (-3.4A)
TPF  A 490 ( 3.4A)
TPF  A 490 ( 3.5A)
TPF  A 490 (-4.4A)
 1.06A 6aybA-3l4dA:
46.5		 6aybA-3l4dA:
36.02
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.
3lm4 CATECHOL
2,3-DIOXYGENASE

(Rhodococcus
jostii) 		PF00903
(Glyoxalase) 		5 PHE A 309
ALA A 165
THR A 178
ILE A 251
MET A 289
 HPX  A 406 (-4.7A)
None
None
HPX  A 406 ( 3.9A)
HPX  A 406 ( 4.6A)
 1.15A 6aybA-3lm4A:
undetectable		 6aybA-3lm4A:
22.77
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.
3lmd GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE

(Corynebacterium
glutamicum) 		PF00348
(polyprenyl_synt) 		5 PHE A 234
ALA A 205
ALA A  83
MET A 319
LEU A 341
 None
 1.22A 6aybA-3lmdA:
undetectable		 6aybA-3lmdA:
22.18
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.
3mcp GLUCOKINASE

(Parabacteroides
distasonis) 		PF00480
(ROK) 		5 PHE A  71
PHE A  20
ALA A  39
ALA A  41
LEU A  99
 None
 1.08A 6aybA-3mcpA:
undetectable		 6aybA-3mcpA:
21.11
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.
3o4o INTERLEUKIN-1
RECEPTOR ACCESSORY
PROTEIN

(Homo sapiens) 		PF13927
(Ig_3) 		5 TYR B 101
ALA B  44
ALA B  41
LEU B  29
LEU B  48
 NAG  B 340 (-4.0A)
None
None
None
None
 1.03A 6aybA-3o4oB:
undetectable		 6aybA-3o4oB:
18.99
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.
3oby PROTEIN PELOTA
HOMOLOG

(Archaeoglobus
fulgidus) 		PF03463
(eRF1_1)
PF03464
(eRF1_2)
PF03465
(eRF1_3) 		5 PHE A 155
PHE A 172
PHE A 183
ALA A 196
ILE A 189
 None
 1.20A 6aybA-3obyA:
undetectable		 6aybA-3obyA:
23.40
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.
3olm E3 UBIQUITIN-PROTEIN
LIGASE RSP5

(Saccharomyces
cerevisiae) 		PF00397
(WW)
PF00632
(HECT) 		5 PHE A 465
TYR A 469
ALA A 662
ILE A 537
LEU A 518
 None
 1.23A 6aybA-3olmA:
undetectable		 6aybA-3olmA:
21.58
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.
3ooq AMIDOHYDROLASE

(Thermotoga
maritima) 		PF01979
(Amidohydro_1) 		5 TYR A 182
ALA A 236
ALA A 240
LEU A 217
MET A 210
 None
 1.21A 6aybA-3ooqA:
undetectable		 6aybA-3ooqA:
24.71
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.
3sr6 XANTHINE
DEHYDROGENASE/OXIDAS
E

(Bos taurus) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 PHE C1013
PHE C1009
ALA C1079
THR C 803
LEU C 648
 None
None
RMO  C1317 ( 3.6A)
None
None
 1.21A 6aybA-3sr6C:
undetectable		 6aybA-3sr6C:
20.29
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.
3u27 MICROCOMPARTMENTS
PROTEIN

(Leptotrichia
buccalis) 		no annotation 5 PHE C  68
ALA C 101
LEU C  87
ILE C  86
LEU C  39
 None
 1.10A 6aybA-3u27C:
undetectable		 6aybA-3u27C:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ub9 CHEMORECEPTOR TLPB

(Helicobacter
pylori) 		PF17200
(sCache_2) 		5 TYR A 169
PHE A 167
TYR A 150
PHE A  90
ILE A  65
 None
 1.22A 6aybA-3ub9A:
undetectable		 6aybA-3ub9A:
17.66
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.
3zdu CYCLIN-DEPENDENT
KINASE-LIKE 3

(Homo sapiens) 		PF00069
(Pkinase) 		5 PHE A 286
PHE A 295
ALA A 265
ILE A 131
LEU A 110
 None
 1.00A 6aybA-3zduA:
undetectable		 6aybA-3zduA:
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.
4b8a POLY(A) RIBONUCLEASE
POP2

(Saccharomyces
cerevisiae) 		PF04857
(CAF1) 		5 PHE B  28
ALA B  88
ILE B  43
MET B 151
LEU B  85
 None
 1.21A 6aybA-4b8aB:
undetectable		 6aybA-4b8aB:
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.
4cgr PUTATIVE TETR-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N) 		5 TYR A  84
ALA A  38
ALA A  41
THR A  53
LEU A  50
 None
 1.13A 6aybA-4cgrA:
undetectable		 6aybA-4cgrA:
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.
4e04 BACTERIOPHYTOCHROME
(LIGHT-REGULATED
SIGNAL TRANSDUCTION
HISTIDINE KINASE),
PHYB1

(Rhodopseudomonas
palustris) 		PF01590
(GAF)
PF08446
(PAS_2) 		5 PHE A  95
ALA A  58
THR A 231
ILE A  26
LEU A  33
 None
 0.93A 6aybA-4e04A:
undetectable		 6aybA-4e04A:
21.38
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.
4e4y SHORT CHAIN
DEHYDROGENASE FAMILY
PROTEIN

(Francisella
tularensis) 		PF13561
(adh_short_C2) 		5 TYR A 137
ALA A 143
ALA A 145
THR A 164
ILE A  13
 GOL  A 306 (-4.8A)
None
None
None
None
 1.22A 6aybA-4e4yA:
undetectable		 6aybA-4e4yA:
20.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g3j STEROL
14-ALPHA-DEMETHYLASE

(Trypanosoma
brucei) 		PF00067
(p450) 		8 PHE A 105
PHE A 110
TYR A 116
ALA A 287
ALA A 291
THR A 295
LEU A 356
MET A 360
 VNT  A 502 (-4.8A)
VNT  A 502 (-4.4A)
HEM  A 501 ( 4.5A)
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
VNT  A 502 (-4.5A)
 0.88A 6aybA-4g3jA:
46.3		 6aybA-4g3jA:
36.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g3j STEROL
14-ALPHA-DEMETHYLASE

(Trypanosoma
brucei) 		PF00067
(p450) 		8 PHE A 105
PHE A 110
TYR A 116
PHE A 214
ALA A 287
ALA A 291
THR A 295
LEU A 356
 VNT  A 502 (-4.8A)
VNT  A 502 (-4.4A)
HEM  A 501 ( 4.5A)
None
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
 1.18A 6aybA-4g3jA:
46.3		 6aybA-4g3jA:
36.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g3j STEROL
14-ALPHA-DEMETHYLASE

(Trypanosoma
brucei) 		PF00067
(p450) 		6 PHE A 110
TYR A 103
ALA A 287
ALA A 291
THR A 295
LEU A 356
 VNT  A 502 (-4.4A)
VNT  A 502 ( 4.8A)
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
 1.04A 6aybA-4g3jA:
46.3		 6aybA-4g3jA:
36.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g3j STEROL
14-ALPHA-DEMETHYLASE

(Trypanosoma
brucei) 		PF00067
(p450) 		5 PHE A 110
TYR A 116
ALA A 287
ALA A 291
LEU A 208
 VNT  A 502 (-4.4A)
HEM  A 501 ( 4.5A)
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
None
 1.16A 6aybA-4g3jA:
46.3		 6aybA-4g3jA:
36.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g3j STEROL
14-ALPHA-DEMETHYLASE

(Trypanosoma
brucei) 		PF00067
(p450) 		6 TYR A 103
PHE A 105
TYR A 116
PHE A 214
THR A 295
LEU A 356
 VNT  A 502 ( 4.8A)
VNT  A 502 (-4.8A)
HEM  A 501 ( 4.5A)
None
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
 1.39A 6aybA-4g3jA:
46.3		 6aybA-4g3jA:
36.32
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.
4gi5 QUINONE REDUCTASE

(Klebsiella
pneumoniae) 		PF02525
(Flavodoxin_2) 		5 PHE A 186
ALA A 211
ALA A 213
LEU A  27
LEU A 219
 None
 1.08A 6aybA-4gi5A:
undetectable		 6aybA-4gi5A:
22.69
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.
4gvl TRKA DOMAIN PROTEIN

(Geobacter
sulfurreducens) 		PF02080
(TrkA_C)
PF02254
(TrkA_N) 		5 PHE A 557
ALA A 499
LEU A 496
ILE A 521
LEU A 510
 None
 1.17A 6aybA-4gvlA:
undetectable		 6aybA-4gvlA:
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.
4hea NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 13

(Thermus
thermophilus) 		PF00361
(Proton_antipo_M) 		5 PHE M 118
ALA M 227
ALA M 229
THR M  81
LEU M 106
 None
 1.22A 6aybA-4heaM:
undetectable		 6aybA-4heaM:
21.38
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.
4hn9 IRON COMPLEX
TRANSPORT SYSTEM
SUBSTRATE-BINDING
PROTEIN

([Eubacterium]
eligens) 		PF01497
(Peripla_BP_2) 		5 TYR A 349
ALA A 190
ALA A 188
LEU A  85
ILE A  81
 None
 1.18A 6aybA-4hn9A:
undetectable		 6aybA-4hn9A:
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.
4ib4 CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 2B AND E.
COLI SOLUBLE
CYTOCHROME B562

(Escherichia
coli;
Homo sapiens) 		PF00001
(7tm_1)
PF07361
(Cytochrom_B562) 		5 ALA A1100
THR A1097
LEU A1068
ILE A1072
LEU A1010
 None
 1.19A 6aybA-4ib4A:
undetectable		 6aybA-4ib4A:
21.98
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.
4kuj PROTEIN KINASE,
PUTATIVE

(Entamoeba
histolytica) 		PF02816
(Alpha_kinase) 		5 PHE A  51
ALA A 154
THR A  94
LEU A 146
ILE A  46
 None
 1.14A 6aybA-4kujA:
undetectable		 6aybA-4kujA:
19.31
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.
4l7z HPCH/HPAI ALDOLASE

(Chloroflexus
aurantiacus) 		PF03328
(HpcH_HpaI) 		5 PHE A  34
PHE A  33
ALA A  81
ILE A 119
LEU A  89
 None
 1.10A 6aybA-4l7zA:
undetectable		 6aybA-4l7zA:
20.41
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.
4ljx AT-RICH INTERACTIVE
DOMAIN-CONTAINING
PROTEIN 3A

(Homo sapiens) 		PF01388
(ARID) 		5 PHE A 249
PHE A 244
LEU A 270
ILE A 264
LEU A 232
 None
 1.00A 6aybA-4ljxA:
undetectable		 6aybA-4ljxA:
15.59
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.
4nfu EDS1

(Arabidopsis
thaliana) 		PF01764
(Lipase_3) 		5 PHE A 275
ALA A 270
THR A 193
ILE A 188
LEU A 294
 None
 1.20A 6aybA-4nfuA:
2.6		 6aybA-4nfuA:
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.
4nru RNA DEPENDENT RNA
POLYMERASE

(Norwalk virus) 		PF00680
(RdRP_1) 		5 PHE A 338
ALA A 253
LEU A  83
ILE A  82
LEU A 316
 None
 1.23A 6aybA-4nruA:
undetectable		 6aybA-4nruA:
23.02
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.
4q6x PHOSPHOLIPASE D
STSICTOX-BETAIC1

(Sicarius
terrosus) 		no annotation 5 PHE A 141
ALA A 105
ALA A  42
LEU A  67
ILE A  70
 None
 1.14A 6aybA-4q6xA:
undetectable		 6aybA-4q6xA:
20.63
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.
4r1p L-ARABINOSE
ISOMERASE

(Geobacillus
kaustophilus) 		PF02610
(Arabinose_Isome)
PF11762
(Arabinose_Iso_C) 		5 PHE A 203
ALA A 454
ALA A 389
ILE A 404
LEU A 460
 None
 1.03A 6aybA-4r1pA:
undetectable		 6aybA-4r1pA:
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.
4re2 BETA-MANNOSIDASE/BET
A-GLUCOSIDASE

(Oryza sativa) 		PF00232
(Glyco_hydro_1) 		5 TYR A 318
ALA A 435
ALA A  27
LEU A 244
ILE A 243
 MVL  A 501 (-3.8A)
None
None
None
None
 1.17A 6aybA-4re2A:
undetectable		 6aybA-4re2A:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tkt AT-LESS POLYKETIDE
SYNTHASE

(Streptomyces
platensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 PHE A3214
ALA A3344
ALA A3342
LEU A3250
LEU A3307
 None
 1.11A 6aybA-4tktA:
undetectable		 6aybA-4tktA:
22.24
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 TYR A 131
PHE A 139
TYR A 145
ALA A 311
MET A 381
 VFV  A 580 (-4.1A)
VFV  A 580 (-4.2A)
HEM  A 540 (-4.5A)
HEM  A 540 ( 3.4A)
VFV  A 600 (-3.8A)
 0.79A 6aybA-4uhiA:
48.4		 6aybA-4uhiA:
39.74
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 TYR A 131
PHE A 139
TYR A 145
ALA A 311
THR A 315
 VFV  A 580 (-4.1A)
VFV  A 580 (-4.2A)
HEM  A 540 (-4.5A)
HEM  A 540 ( 3.4A)
HEM  A 540 (-3.6A)
 0.60A 6aybA-4uhiA:
48.4		 6aybA-4uhiA:
39.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uym 14-ALPHA STEROL
DEMETHYLASE

(Aspergillus
fumigatus) 		PF00067
(p450) 		5 PHE A 130
TYR A 136
ALA A 303
ALA A 307
LEU A 503
 VOR  A 590 (-4.6A)
HEM  A 580 (-4.6A)
VOR  A 590 ( 4.4A)
VOR  A 590 ( 4.0A)
VOR  A 590 (-3.5A)
 0.93A 6aybA-4uymA:
39.1		 6aybA-4uymA:
35.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uym 14-ALPHA STEROL
DEMETHYLASE

(Aspergillus
fumigatus) 		PF00067
(p450) 		5 TYR A 122
PHE A 130
TYR A 136
ALA A 303
ALA A 307
 VOR  A 590 (-3.8A)
VOR  A 590 (-4.6A)
HEM  A 580 (-4.6A)
VOR  A 590 ( 4.4A)
VOR  A 590 ( 4.0A)
 0.71A 6aybA-4uymA:
39.1		 6aybA-4uymA:
35.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y7p ALKALINE D-PEPTIDASE

(Bacillus cereus) 		PF00144
(Beta-lactamase) 		5 TYR A 132
PHE A 163
ALA A 149
THR A  80
LEU A 122
 None
 1.22A 6aybA-4y7pA:
undetectable		 6aybA-4y7pA:
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.
4yai C
ALPHA-DEHYDROGENASE

(Sphingobium sp.
SYK-6) 		PF00106
(adh_short) 		5 ALA A  72
ALA A 125
THR A 127
LEU A  88
ILE A  87
 None
 1.24A 6aybA-4yaiA:
undetectable		 6aybA-4yaiA:
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.
5cu1 DMSP LYASE

(Ruegeria
pomeroyi) 		PF16867
(DMSP_lyase) 		6 TYR A  98
ALA A  71
ALA A  68
LEU A 139
ILE A 138
LEU A  57
 None
 1.45A 6aybA-5cu1A:
undetectable		 6aybA-5cu1A:
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.
5dbj FADH2-DEPENDENT
HALOGENASE PLTA

(Pseudomonas
protegens) 		no annotation 5 TYR E 378
PHE E 374
ALA E 387
ALA E 101
LEU E 402
 None
 1.22A 6aybA-5dbjE:
undetectable		 6aybA-5dbjE:
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.
5fdn PHOSPHOENOLPYRUVATE
CARBOXYLASE 3

(Arabidopsis
thaliana) 		PF00311
(PEPcase) 		5 PHE A 735
PHE A 730
ALA A 838
ILE A 775
LEU A 785
 None
 1.21A 6aybA-5fdnA:
2.6		 6aybA-5fdnA:
19.64
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 118
PHE A 126
TYR A 132
THR A 311
LEU A 376
 X2N  A 590 ( 4.0A)
X2N  A 590 (-4.8A)
HEM  A 580 (-4.1A)
HEM  A 580 (-3.6A)
X2N  A 590 (-4.3A)
 0.84A 6aybA-5fsaA:
43.4		 6aybA-5fsaA:
36.91
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.
5hgc SERPIN

(Taeniopygia
guttata) 		PF00079
(Serpin) 		5 TYR A 143
PHE A 135
ALA A  73
ILE A  62
LEU A 189
 None
 1.24A 6aybA-5hgcA:
undetectable		 6aybA-5hgcA:
22.85
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 TYR A 126
PHE A 134
TYR A 140
THR A 318
LEU A 380
 VOR  A 602 ( 3.8A)
VOR  A 602 (-4.7A)
HEM  A 601 (-4.3A)
HEM  A 601 (-3.4A)
VOR  A 602 (-4.0A)
 0.54A 6aybA-5hs1A:
42.8		 6aybA-5hs1A:
32.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jlc LANOSTEROL 14-ALPHA
DEMETHYLASE

([Candida]
glabrata) 		PF00067
(p450) 		5 TYR A 127
PHE A 135
TYR A 141
THR A 319
LEU A 381
 1YN  A 602 ( 3.8A)
1YN  A 602 ( 4.6A)
HEM  A 601 (-4.2A)
HEM  A 601 ( 3.5A)
1YN  A 602 ( 4.7A)
 0.53A 6aybA-5jlcA:
40.9		 6aybA-5jlcA:
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.
5l6s GLUCOSE-1-PHOSPHATE
ADENYLYLTRANSFERASE

(Escherichia
coli) 		PF00483
(NTP_transferase) 		5 TYR A 131
PHE A  91
ALA A 220
LEU A  23
ILE A  24
 None
 1.23A 6aybA-5l6sA:
undetectable		 6aybA-5l6sA:
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.
5ldf GLUTAMINE SYNTHETASE

(Salmonella
enterica) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		5 PHE A 126
ALA A 275
ALA A 121
THR A 118
LEU A 379
 None
 1.16A 6aybA-5ldfA:
undetectable		 6aybA-5ldfA:
22.20
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.
5nhx OUTER MEMBRANE
PROTEIN A

(Klebsiella
pneumoniae) 		no annotation 5 PHE A  16
PHE A   8
ALA A  21
ILE A  83
LEU A  31
 None
 1.17A 6aybA-5nhxA:
undetectable		 6aybA-5nhxA:
12.64
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.
5o3m PROTOCATECHUATE
DECARBOXYLASE

(Klebsiella
pneumoniae) 		PF01977
(UbiD) 		5 TYR A 217
ALA A  82
LEU A  72
ILE A  71
MET A 210
 None
 1.13A 6aybA-5o3mA:
undetectable		 6aybA-5o3mA:
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.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Synechocystis
sp. PCC 6803) 		no annotation 5 PHE b 472
ALA b 604
THR b 611
LEU b 452
ILE b 453
 None
None
None
None
C7Z  b1858 ( 4.9A)
 1.15A 6aybA-5oy0b:
undetectable		 6aybA-5oy0b:
10.96
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.
5w7p OXAC

(Penicillium
oxalicum) 		no annotation 6 TYR A 130
ALA A  85
THR A 102
LEU A 109
ILE A 108
LEU A  77
 None
 1.31A 6aybA-5w7pA:
undetectable		 6aybA-5w7pA:
11.68
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.
5y81 ACTIN-RELATED
PROTEIN 4

(Saccharomyces
cerevisiae) 		no annotation 5 PHE F 293
ALA F 186
LEU F 410
ILE F 439
LEU F 420
 None
 1.18A 6aybA-5y81F:
undetectable		 6aybA-5y81F:
9.95
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 12 TYR A 107
PHE A 109
PHE A 114
TYR A 120
PHE A 217
ALA A 289
ALA A 293
THR A 297
LEU A 358
ILE A 359
MET A 362
LEU A 467
 TPF  A 506 (-4.2A)
None
TPF  A 506 (-4.4A)
None
None
TPF  A 506 (-3.5A)
TPF  A 506 ( 3.2A)
HEM  A 501 (-3.4A)
TPF  A 506 ( 4.4A)
None
None
EDO  A 503 (-4.2A)
 0.64A 6aybA-6ay4A:
62.6		 6aybA-6ay4A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bq9 DNA TOPOISOMERASE 4
SUBUNIT A

(Pseudomonas
putida) 		no annotation 5 TYR A 135
ALA A  97
THR A 177
ILE A 171
LEU A  45
 None
 1.24A 6aybA-6bq9A:
undetectable		 6aybA-6bq9A:
13.43
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.
6ekg CHEMOTAXIS PROTEIN
CHEY

(Methanococcus
maripaludis) 		no annotation 5 PHE Y 118
PHE Y 109
PHE Y 122
ILE Y  33
LEU Y  24
 None
 1.19A 6aybA-6ekgY:
undetectable		 6aybA-6ekgY:
10.55