SIMILAR PATTERNS OF AMINO ACIDS FOR 6AYC_A_1YNA502_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.
1a59 CITRATE SYNTHASE

(Antarctic
bacterium
DS2-3R) 		PF00285
(Citrate_synt) 		5 PHE A 159
ALA A 343
PHE A 232
TYR A 302
MET A 282
 None
 1.08A 6aycA-1a59A:
undetectable		 6aycA-1a59A:
14.10
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.
1ci9 PROTEIN
(CARBOXYLESTERASE)

(Burkholderia
gladioli) 		PF00144
(Beta-lactamase) 		5 ALA A 329
MET A 277
PHE A 219
ALA A 201
ALA A 203
 None
 1.37A 6aycA-1ci9A:
undetectable		 6aycA-1ci9A:
11.37
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.
1dgm ADENOSINE KINASE

(Toxoplasma
gondii) 		PF00294
(PfkB) 		5 PHE A 354
ALA A 319
ALA A 182
THR A 217
LEU A 195
 None
 1.29A 6aycA-1dgmA:
undetectable		 6aycA-1dgmA:
13.50
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.
1ggv DIENELACTONE
HYDROLASE

(Pseudomonas
putida) 		PF01738
(DLH) 		5 PHE A  16
TYR A 122
TYR A 144
LEU A  51
MET A  44
 None
 1.18A 6aycA-1ggvA:
undetectable		 6aycA-1ggvA:
16.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h39 SQUALENE--HOPENE
CYCLASE

(Alicyclobacillus
acidocaldarius) 		PF13243
(SQHop_cyclase_C)
PF13249
(SQHop_cyclase_N) 		5 ALA A 317
ALA A 550
THR A 584
LEU A 581
MET A 561
 None
 1.29A 6aycA-1h39A:
undetectable		 6aycA-1h39A:
8.72
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.
1hm6 ANNEXIN 1

(Sus scrofa) 		PF00191
(Annexin) 		5 TYR A 240
ALA A 205
ALA A 209
THR A 216
LEU A 254
 None
 1.33A 6aycA-1hm6A:
undetectable		 6aycA-1hm6A:
13.29
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.
1hzf COMPLEMENT FACTOR
C4A

(Homo sapiens) 		PF07678
(A2M_comp)
PF10569
(Thiol-ester_cl) 		5 PHE A1062
ALA A1000
ALA A1268
THR A1271
LEU A1293
 None
 1.34A 6aycA-1hzfA:
undetectable		 6aycA-1hzfA:
14.24
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.
1nr6 CYTOCHROME P450 2C5

(Oryctolagus
cuniculus) 		PF00067
(p450) 		6 ALA A  47
PHE A 114
ALA A 113
ALA A 294
THR A 298
LEU A 359
 None
DIF  A 501 (-4.5A)
DIF  A 501 (-3.6A)
DIF  A 501 ( 3.3A)
HEM  A 500 ( 3.6A)
DIF  A 501 (-4.4A)
 1.45A 6aycA-1nr6A:
35.2		 6aycA-1nr6A:
11.66
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.
1p9o PHOSPHOPANTOTHENOYLC
YSTEINE SYNTHETASE

(Homo sapiens) 		PF04127
(DFP) 		5 TYR A 155
PHE A 149
ALA A 161
ALA A 163
LEU A 177
 None
 1.37A 6aycA-1p9oA:
undetectable		 6aycA-1p9oA:
12.50
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.
1qon ACETYLCHOLINESTERASE

(Drosophila
melanogaster) 		PF00135
(COesterase) 		5 ALA A 448
PHE A 178
ALA A 214
ALA A 212
THR A 253
 None
 1.04A 6aycA-1qonA:
undetectable		 6aycA-1qonA:
8.32
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.
1soi MUTT/NUDIX FAMILY
PROTEIN

(Deinococcus
radiodurans) 		PF00293
(NUDIX) 		5 ALA A 128
ALA A  62
ALA A  66
THR A  70
LEU A  28
 None
 1.32A 6aycA-1soiA:
undetectable		 6aycA-1soiA:
18.71
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.
1t3q QUINOLINE
2-OXIDOREDUCTASE
MEDIUM SUBUNIT

(Pseudomonas
putida) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		5 ALA C 148
ALA C 240
ALA C 244
THR C 248
LEU C 213
 None
 1.07A 6aycA-1t3qC:
undetectable		 6aycA-1t3qC:
15.15
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.
1ub7 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
SYNTHASE

(Thermus
thermophilus) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 ALA A  44
PHE A 306
ALA A 218
THR A  36
LEU A 154
 None
 1.25A 6aycA-1ub7A:
undetectable		 6aycA-1ub7A:
12.54
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.
1urj MAJOR DNA-BINDING
PROTEIN

(Human
alphaherpesvirus
1) 		PF00747
(Viral_DNA_bp) 		5 PHE A 963
ALA A 919
PHE A 467
ALA A  47
ALA A  49
 HG  A2132 (-2.6A)
None
None
None
None
 1.35A 6aycA-1urjA:
undetectable		 6aycA-1urjA:
4.93
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.
1uuo DIHYDROOROTATE
DEHYDROGENASE

(Rattus rattus) 		PF01180
(DHO_dh) 		5 MET A  43
ALA A  55
ALA A  59
THR A  63
LEU A 111
 BRF  A1397 (-4.1A)
BRF  A1397 (-3.2A)
BRF  A1397 (-3.5A)
BRF  A1397 ( 4.7A)
None
 1.07A 6aycA-1uuoA:
undetectable		 6aycA-1uuoA:
16.36
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.
1w07 ACYL-COA OXIDASE

(Arabidopsis
thaliana) 		PF01756
(ACOX)
PF02770
(Acyl-CoA_dh_M)
PF14749
(Acyl-CoA_ox_N) 		5 ALA A 290
PHE A  16
ALA A  14
THR A 304
LEU A 338
 None
 1.05A 6aycA-1w07A:
undetectable		 6aycA-1w07A:
8.73
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.
1wc8 TRAFFICKING PROTEIN
PARTICLE COMPLEX
SUBUNIT3

(Mus musculus) 		PF04051
(TRAPP) 		5 MET A 165
PHE A 103
ALA A  75
ALA A  79
LEU A 107
 None
 1.13A 6aycA-1wc8A:
undetectable		 6aycA-1wc8A:
20.54
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.
1wkm METHIONINE
AMINOPEPTIDASE

(Pyrococcus
furiosus) 		PF00557
(Peptidase_M24) 		5 ALA A 110
PHE A  50
ALA A  49
ALA A  92
THR A 294
 None
MET  A1298 (-3.8A)
None
None
None
 1.21A 6aycA-1wkmA:
undetectable		 6aycA-1wkmA:
16.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x8v CYTOCHROME P450 51

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		6 TYR A  76
MET A  79
ALA A 256
THR A 260
LEU A 321
MET A 325
 ESL  A 471 ( 3.8A)
ESL  A 471 ( 4.4A)
ESL  A 471 ( 3.4A)
HEM  A 470 (-3.6A)
HEM  A 470 (-4.1A)
None
 0.97A 6aycA-1x8vA:
42.0		 6aycA-1x8vA:
9.09
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.
1x8v CYTOCHROME P450 51

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		5 TYR A  76
MET A  79
PHE A  83
ALA A 256
THR A 260
 ESL  A 471 ( 3.8A)
ESL  A 471 ( 4.4A)
None
ESL  A 471 ( 3.4A)
HEM  A 470 (-3.6A)
 0.94A 6aycA-1x8vA:
42.0		 6aycA-1x8vA:
9.09
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.
1x8v CYTOCHROME P450 51

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		5 TYR A  76
PHE A  78
MET A  79
LEU A 321
MET A 325
 ESL  A 471 ( 3.8A)
ESL  A 471 ( 4.9A)
ESL  A 471 ( 4.4A)
HEM  A 470 (-4.1A)
None
 1.07A 6aycA-1x8vA:
42.0		 6aycA-1x8vA:
9.09
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.
1x9n DNA LIGASE I

(Homo sapiens) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		5 ALA A 304
TYR A 289
ALA A 439
ALA A 443
LEU A 450
 None
 1.33A 6aycA-1x9nA:
undetectable		 6aycA-1x9nA:
8.46
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.
2afb 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Thermotoga
maritima) 		PF00294
(PfkB) 		5 TYR A  31
PHE A 317
ALA A  40
THR A  53
LEU A  55
 None
 1.35A 6aycA-2afbA:
undetectable		 6aycA-2afbA:
12.89
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.
2akz GAMMA ENOLASE

(Homo sapiens) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 ALA A 308
MET A 243
PHE A 167
ALA A 222
LEU A 278
 None
 1.24A 6aycA-2akzA:
undetectable		 6aycA-2akzA:
12.20
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.
2bkl PROLYL ENDOPEPTIDASE

(Myxococcus
xanthus) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 ALA A 641
ALA A 481
ALA A 479
THR A 448
LEU A 527
 None
 1.31A 6aycA-2bklA:
undetectable		 6aycA-2bklA:
8.40
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.
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
 1.20A 6aycA-2cb1A:
undetectable		 6aycA-2cb1A:
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.
2fon PEROXISOMAL ACYL-COA
OXIDASE 1A

(Solanum
lycopersicum) 		PF01756
(ACOX)
PF02770
(Acyl-CoA_dh_M)
PF14749
(Acyl-CoA_ox_N) 		5 ALA A 290
PHE A  16
ALA A  14
THR A 304
LEU A 338
 None
 1.04A 6aycA-2fonA:
undetectable		 6aycA-2fonA:
7.94
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.
2hi9 PLASMA SERINE
PROTEASE INHIBITOR

(Homo sapiens) 		PF00079
(Serpin) 		5 PHE A 115
ALA A 113
ALA A  40
ALA A  36
LEU A 299
 None
 1.34A 6aycA-2hi9A:
undetectable		 6aycA-2hi9A:
13.51
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.
2jl4 MALEYLPYRUVATE
ISOMERASE

(Ralstonia sp.
U2) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		5 ALA A  80
TYR A  26
MET A   1
ALA A  54
LEU A  15
 None
 1.23A 6aycA-2jl4A:
undetectable		 6aycA-2jl4A:
17.68
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.
2ovl PUTATIVE RACEMASE

(Streptomyces
coelicolor) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A 235
PHE A 257
PHE A 282
ALA A 308
THR A 316
 None
 1.32A 6aycA-2ovlA:
undetectable		 6aycA-2ovlA:
13.37
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.
2pyw UNCHARACTERIZED
PROTEIN

(Arabidopsis
thaliana) 		PF01636
(APH) 		5 PHE A 186
ALA A 361
MET A 147
ALA A 140
LEU A 275
 None
 1.26A 6aycA-2pywA:
undetectable		 6aycA-2pywA:
11.60
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.
2q27 OXALYL-COA
DECARBOXYLASE

(Escherichia
coli) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ALA A 508
TYR A  27
ALA A  63
ALA A 433
LEU A 465
 None
 1.25A 6aycA-2q27A:
undetectable		 6aycA-2q27A:
9.94
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.
2q88 PUTATIVE ABC
TRANSPORTER AMINO
ACID-BINDING PROTEIN

(Sinorhizobium
meliloti) 		PF00497
(SBP_bac_3) 		5 ALA A  88
PHE A 230
ALA A 241
ALA A 243
LEU A 252
 None
 1.36A 6aycA-2q88A:
undetectable		 6aycA-2q88A:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vhd CYTOCHROME C551
PEROXIDASE

(Pseudomonas
aeruginosa) 		PF00034
(Cytochrom_C)
PF03150
(CCP_MauG) 		5 ALA A 210
PHE A 192
ALA A 254
THR A 256
MET A 275
 None
None
None
CA  A 403 (-4.7A)
HEC  A 402 (-2.3A)
 1.33A 6aycA-2vhdA:
undetectable		 6aycA-2vhdA:
13.08
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.
2vos FOLYLPOLYGLUTAMATE
SYNTHASE PROTEIN
FOLC

(Mycobacterium
tuberculosis) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 ALA A 334
ALA A 359
ALA A 363
THR A 367
LEU A 341
 GOL  A1497 (-4.6A)
ADP  A1490 ( 4.6A)
ADP  A1490 (-3.5A)
None
None
 1.37A 6aycA-2vosA:
undetectable		 6aycA-2vosA:
8.45
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.
2vxo GMP SYNTHASE
[GLUTAMINE-HYDROLYZI
NG]

(Homo sapiens) 		PF00117
(GATase)
PF00958
(GMP_synt_C)
PF02540
(NAD_synthase) 		5 ALA A 299
PHE A 438
ALA A 595
ALA A 591
THR A 587
 None
 1.02A 6aycA-2vxoA:
undetectable		 6aycA-2vxoA:
8.47
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.
3c3j PUTATIVE
TAGATOSE-6-PHOSPHATE
KETOSE/ALDOSE
ISOMERASE

(Escherichia
coli) 		PF01380
(SIS) 		5 ALA A 222
ALA A   8
ALA A  10
THR A  12
LEU A 351
 None
 1.35A 6aycA-3c3jA:
undetectable		 6aycA-3c3jA:
12.84
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.
3gyu NUCLEAR HORMONE
RECEPTOR OF THE
STEROID/THYROID
HORMONE RECEPTORS
SUPERFAMILY

(Strongyloides
stercoralis) 		PF00104
(Hormone_recep) 		5 ALA A 542
MET A 625
ALA A 735
THR A 738
LEU A 556
 None
DL7  A 200 ( 4.7A)
None
None
None
 1.31A 6aycA-3gyuA:
undetectable		 6aycA-3gyuA:
19.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hd6 AMMONIUM TRANSPORTER
RH TYPE C

(Homo sapiens) 		PF00909
(Ammonium_transp) 		5 ALA A 288
PHE A  80
PHE A 430
TYR A  84
THR A 196
 None
 1.29A 6aycA-3hd6A:
undetectable		 6aycA-3hd6A:
10.85
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.
3iz3 VIRAL STRUCTURAL
PROTEIN 5

(Cypovirus 1) 		no annotation 5 PHE D  90
ALA D  71
ALA D 237
ALA D 263
THR D 268
 None
 1.33A 6aycA-3iz3D:
undetectable		 6aycA-3iz3D:
14.71
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.
3jzl PUTATIVE
CYSTATHIONINE
BETA-LYASE INVOLVED
IN ALUMINUM
RESISTANCE

(Listeria
monocytogenes) 		PF06838
(Met_gamma_lyase) 		5 PHE A 206
ALA A 279
ALA A 262
ALA A 264
LEU A 269
 None
 1.33A 6aycA-3jzlA:
undetectable		 6aycA-3jzlA:
10.92
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.
3ksw STEROL 14-ALPHA
DEMETHYLASE

(Trypanosoma
cruzi) 		PF00067
(p450) 		5 TYR A 103
MET A 106
ALA A 291
LEU A 356
MET A 360
 None
VNF  A 490 ( 3.8A)
VNF  A 490 ( 4.0A)
None
None
 1.15A 6aycA-3kswA:
38.2		 6aycA-3kswA:
11.36
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.
3ksw STEROL 14-ALPHA
DEMETHYLASE

(Trypanosoma
cruzi) 		PF00067
(p450) 		5 TYR A 103
MET A 106
ALA A 291
THR A 295
MET A 360
 None
VNF  A 490 ( 3.8A)
VNF  A 490 ( 4.0A)
VNF  A 490 ( 4.0A)
None
 1.06A 6aycA-3kswA:
38.2		 6aycA-3kswA:
11.36
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.
3ksw STEROL 14-ALPHA
DEMETHYLASE

(Trypanosoma
cruzi) 		PF00067
(p450) 		6 TYR A 103
MET A 106
PHE A 110
ALA A 287
ALA A 291
THR A 295
 None
VNF  A 490 ( 3.8A)
None
VNF  A 490 ( 3.9A)
VNF  A 490 ( 4.0A)
VNF  A 490 ( 4.0A)
 1.02A 6aycA-3kswA:
38.2		 6aycA-3kswA:
11.36
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.
3l4d STEROL 14-ALPHA
DEMETHYLASE

(Leishmania
infantum) 		PF00067
(p450) 		5 ALA A 130
PHE A 109
MET A 105
PHE A 104
LEU A 355
 None
TPF  A 490 (-4.5A)
TPF  A 490 ( 4.0A)
None
TPF  A 490 (-4.4A)
 1.27A 6aycA-3l4dA:
46.8		 6aycA-3l4dA:
10.60
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.
3l4d STEROL 14-ALPHA
DEMETHYLASE

(Leishmania
infantum) 		PF00067
(p450) 		10 TYR A 102
PHE A 104
MET A 105
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 ( 4.0A)
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
 0.85A 6aycA-3l4dA:
46.8		 6aycA-3l4dA:
10.60
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.
3lkd TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLTRANSFERASE
SUBUNIT

(Streptococcus
thermophilus) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		5 ALA A  19
PHE A 136
TYR A 132
ALA A  94
MET A 266
 None
 1.32A 6aycA-3lkdA:
undetectable		 6aycA-3lkdA:
9.68
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.
3nvn PLEXIN-C1

(Homo sapiens) 		PF01437
(PSI) 		5 ALA B 350
TYR B 248
ALA B 163
ALA B 181
LEU B 225
 None
 1.25A 6aycA-3nvnB:
undetectable		 6aycA-3nvnB:
11.73
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.
3oms PHNB PROTEIN

(Bacillus cereus) 		PF06983
(3-dmu-9_3-mt) 		5 PHE A 118
PHE A  14
ALA A  18
THR A  26
LEU A  58
 None
 1.15A 6aycA-3omsA:
undetectable		 6aycA-3omsA:
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.
3ooq AMIDOHYDROLASE

(Thermotoga
maritima) 		PF01979
(Amidohydro_1) 		5 TYR A 182
ALA A 236
ALA A 240
LEU A 217
MET A 210
 None
 1.20A 6aycA-3ooqA:
undetectable		 6aycA-3ooqA:
14.94
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.
3pas TETR FAMILY
TRANSCRIPTION
REGULATOR

(Marinobacter
hydrocarbonoclasticus) 		PF00440
(TetR_N)
PF16295
(TetR_C_10) 		5 PHE A 155
MET A 154
ALA A 187
ALA A 189
LEU A  80
 None
 1.16A 6aycA-3pasA:
undetectable		 6aycA-3pasA:
18.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qy7 TYROSINE-PROTEIN
PHOSPHATASE YWQE

(Bacillus
subtilis) 		no annotation 5 PHE A 203
ALA A  28
ALA A  26
LEU A  62
MET A  12
 None
 1.36A 6aycA-3qy7A:
undetectable		 6aycA-3qy7A:
15.38
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.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT L

(Escherichia
coli) 		no annotation 5 ALA L 404
ALA L 343
ALA L 256
THR L 260
LEU L 335
 None
 1.36A 6aycA-3rkoL:
undetectable		 6aycA-3rkoL:
8.16
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.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT L

(Escherichia
coli) 		no annotation 5 ALA L 406
ALA L 343
ALA L 256
THR L 260
LEU L 335
 None
 1.13A 6aycA-3rkoL:
undetectable		 6aycA-3rkoL:
8.16
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.
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
 1.12A 6aycA-3sr6C:
undetectable		 6aycA-3sr6C:
8.45
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.
3t9p MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Roseovarius sp.
TM1035) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A 124
PHE A  65
ALA A  70
ALA A  73
THR A  84
 None
 1.35A 6aycA-3t9pA:
undetectable		 6aycA-3t9pA:
9.95
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.
3u7v BETA-GALACTOSIDASE

(Caulobacter
vibrioides) 		PF02449
(Glyco_hydro_42) 		5 PHE A 260
TYR A 272
ALA A 187
LEU A 124
MET A 276
 None
None
ACY  A 550 (-4.6A)
None
None
 1.34A 6aycA-3u7vA:
undetectable		 6aycA-3u7vA:
10.78
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.
3zyt ESTERASE A

(Paenarthrobacter
nitroguajacolicus) 		PF00144
(Beta-lactamase) 		5 ALA A 372
PHE A  10
ALA A 255
ALA A 259
THR A 263
 None
 1.01A 6aycA-3zytA:
undetectable		 6aycA-3zytA:
12.57
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.
4auk RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M

(Escherichia
coli) 		PF01728
(FtsJ) 		5 PHE A 151
ALA A 108
PHE A  61
THR A 349
LEU A 341
 None
 1.32A 6aycA-4aukA:
undetectable		 6aycA-4aukA:
12.36
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.
4ex9 ALNA

(Streptomyces
sp. CM020) 		PF04227
(Indigoidine_A) 		5 ALA A 194
ALA A 213
ALA A 211
THR A 152
LEU A 225
 None
 1.34A 6aycA-4ex9A:
undetectable		 6aycA-4ex9A:
13.95
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.
4fq7 MALEATE CIS-TRANS
ISOMERASE

(Pseudomonas
putida) 		no annotation 5 ALA A 194
TYR A 139
ALA A 171
ALA A 173
THR A  19
 None
 1.29A 6aycA-4fq7A:
undetectable		 6aycA-4fq7A:
13.77
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.
4g3j STEROL
14-ALPHA-DEMETHYLASE

(Trypanosoma
brucei) 		PF00067
(p450) 		9 PHE A 105
MET A 106
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 ( 3.9A)
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)
 0.86A 6aycA-4g3jA:
46.8		 6aycA-4g3jA:
10.87
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.
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)
 1.05A 6aycA-4g3jA:
46.8		 6aycA-4g3jA:
10.87
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.
4g3j STEROL
14-ALPHA-DEMETHYLASE

(Trypanosoma
brucei) 		PF00067
(p450) 		5 TYR A 103
PHE A 105
TYR A 116
THR A 295
LEU A 356
 VNT  A 502 ( 4.8A)
VNT  A 502 (-4.8A)
HEM  A 501 ( 4.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
 1.15A 6aycA-4g3jA:
46.8		 6aycA-4g3jA:
10.87
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.
4kf7 NUP188

(Thermothelomyces
thermophila) 		PF10487
(Nup188) 		5 PHE A 302
ALA A 526
ALA A 486
ALA A 490
THR A 494
 None
 1.33A 6aycA-4kf7A:
undetectable		 6aycA-4kf7A:
4.74
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.
4ngu TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Desulfovibrio
alaskensis) 		PF03480
(DctP) 		5 PHE A  57
ALA A 269
TYR A 243
ALA A 338
ALA A 341
 None
 1.24A 6aycA-4nguA:
undetectable		 6aycA-4nguA:
13.66
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.
4ope NRPS/PKS

(Streptomyces
albus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 PHE A4297
ALA A4569
ALA A4576
THR A4579
LEU A4241
 None
 1.33A 6aycA-4opeA:
undetectable		 6aycA-4opeA:
9.63
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.
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)
 0.72A 6aycA-4uhiA:
48.4		 6aycA-4uhiA:
13.03
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.
4us4 TRANSPORTER

(Bacillus
halodurans) 		PF00209
(SNF) 		5 PHE A 156
ALA A 112
ALA A 256
ALA A 260
THR A 264
 None
 1.12A 6aycA-4us4A:
undetectable		 6aycA-4us4A:
10.57
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.
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)
 0.69A 6aycA-4uymA:
44.1		 6aycA-4uymA:
10.64
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.
4wui N-(5'-PHOSPHORIBOSYL
)ANTHRANILATE
ISOMERASE

(Jonesia
denitrificans) 		PF00697
(PRAI) 		5 PHE A  97
ALA A  71
ALA A  19
ALA A  16
LEU A   8
 None
 1.23A 6aycA-4wuiA:
undetectable		 6aycA-4wuiA:
14.71
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.
4xhb SIALIDASE B

(Streptococcus
pneumoniae) 		PF02012
(BNR)
PF02973
(Sialidase)
PF13088
(BNR_2) 		5 ALA A 595
PHE A 506
ALA A 295
THR A 279
LEU A 258
 None
 1.27A 6aycA-4xhbA:
undetectable		 6aycA-4xhbA:
9.42
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.
4y5f BACTERIOPHYTOCHROME

(Deinococcus
radiodurans) 		PF01590
(GAF)
PF08446
(PAS_2) 		5 ALA A 251
ALA A 143
ALA A 139
THR A 135
LEU A 301
 None
 1.31A 6aycA-4y5fA:
undetectable		 6aycA-4y5fA:
10.22
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.
4ypw TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Haemophilus
influenzae) 		PF01746
(tRNA_m1G_MT) 		5 PHE A  13
ALA A 145
THR A 125
LEU A 122
MET A  62
 None
 1.27A 6aycA-4ypwA:
undetectable		 6aycA-4ypwA:
17.32
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.
5ax0 RHODOPSIN I

(Acetabularia
acetabulum) 		PF01036
(Bac_rhodopsin) 		5 ALA A  50
MET A 122
ALA A 149
ALA A 152
LEU A 181
 D10  A 309 ( 3.8A)
RET  A 301 (-3.7A)
R16  A 308 ( 3.8A)
None
None
 1.35A 6aycA-5ax0A:
undetectable		 6aycA-5ax0A:
13.62
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.
5b16 RIBONUCLEASE
3,DROSHA,RIBONUCLEAS
E
3,DROSHA,RIBONUCLEAS
E 3

(Homo sapiens) 		PF00035
(dsrm)
PF00636
(Ribonuclease_3)
PF14622
(Ribonucleas_3_3) 		5 PHE A 906
ALA A 913
PHE A 604
PHE A 685
THR A 850
 None
 1.09A 6aycA-5b16A:
undetectable		 6aycA-5b16A:
5.38
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.
5fsa CYP51 VARIANT1

(Candida
albicans) 		PF00067
(p450) 		5 ALA A  61
TYR A 118
PHE A 126
TYR A 132
LEU A 376
 X2N  A 590 (-3.5A)
X2N  A 590 ( 4.0A)
X2N  A 590 (-4.8A)
HEM  A 580 (-4.1A)
X2N  A 590 (-4.3A)
 0.92A 6aycA-5fsaA:
43.8		 6aycA-5fsaA:
9.78
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.
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)
 0.78A 6aycA-5fsaA:
43.8		 6aycA-5fsaA:
9.78
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.
5fzp DISPASE
AUTOLYSIS-INDUCING
PROTEIN

(Streptomyces
mobaraensis) 		no annotation 5 PHE A 163
ALA A 192
ALA A  95
ALA A  90
LEU A 179
 None
 1.27A 6aycA-5fzpA:
undetectable		 6aycA-5fzpA:
12.54
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.
5hs1 LANOSTEROL 14-ALPHA
DEMETHYLASE

(Saccharomyces
cerevisiae) 		PF00067
(p450) 		5 ALA A  69
TYR A 126
PHE A 134
TYR A 140
LEU A 380
 None
VOR  A 602 ( 3.8A)
VOR  A 602 (-4.7A)
HEM  A 601 (-4.3A)
VOR  A 602 (-4.0A)
 1.08A 6aycA-5hs1A:
43.1		 6aycA-5hs1A:
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.
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)
 0.51A 6aycA-5hs1A:
43.1		 6aycA-5hs1A:
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.
5hx9 BETA-LACTAMASE

(Burkholderia
vietnamiensis) 		PF13354
(Beta-lactamase2) 		5 ALA A 213
TYR A  72
ALA A 150
ALA A 152
THR A 189
 None
EDO  A 303 (-4.8A)
None
None
None
 1.36A 6aycA-5hx9A:
undetectable		 6aycA-5hx9A:
13.38
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.
5ic7 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		no annotation 5 ALA A 276
ALA A 307
ALA A 305
THR A 266
LEU A 613
 None
 1.22A 6aycA-5ic7A:
undetectable		 6aycA-5ic7A:
11.14
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.
5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)

(Parageobacillus
thermoglucosidasius) 		PF00171
(Aldedh) 		5 ALA A 229
PHE A 149
PHE A  98
ALA A 431
THR A 395
 None
None
GOL  A1008 (-4.4A)
GOL  A1007 (-2.9A)
None
 1.37A 6aycA-5j78A:
undetectable		 6aycA-5j78A:
10.04
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.
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)
 0.50A 6aycA-5jlcA:
42.5		 6aycA-5jlcA:
12.37
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.
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
 1.09A 6aycA-5ldfA:
undetectable		 6aycA-5ldfA:
10.41
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.
5udb DNA REPLICATION
LICENSING FACTOR
MCM6

(Saccharomyces
cerevisiae) 		PF00493
(MCM)
PF14551
(MCM_N)
PF17207
(MCM_OB) 		5 ALA 6 664
PHE 6 641
ALA 6 680
THR 6 676
LEU 6 628
 None
 1.31A 6aycA-5udb6:
2.6		 6aycA-5udb6:
6.09
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.
5wab PUTATIVE
BETA-GLUCOSIDASE

(Bifidobacterium
adolescentis) 		no annotation 5 PHE A 551
ALA A 549
PHE A 544
ALA A 457
ALA A 460
 None
 1.17A 6aycA-5wabA:
undetectable		 6aycA-5wabA:
24.18
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.
5xbc NSP1 PROTEIN

(Porcine
epidemic
diarrhea virus) 		no annotation 5 PHE A 104
ALA A  72
ALA A  13
THR A  51
LEU A  48
 None
 1.32A 6aycA-5xbcA:
undetectable		 6aycA-5xbcA:
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.
5xgv PYRE3

(Streptomyces
rugosporus) 		no annotation 5 ALA A  45
TYR A 265
ALA A 324
ALA A 327
LEU A 280
 None
 1.23A 6aycA-5xgvA:
undetectable		 6aycA-5xgvA:
14.46
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.
5xxo PERIPLASMIC
BETA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		no annotation 5 ALA A 500
PHE A 555
PHE A 390
ALA A 387
LEU A 451
 None
 1.31A 6aycA-5xxoA:
undetectable		 6aycA-5xxoA:
22.99
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.
5yrp SENSORY BOX/RESPONSE
REGULATOR

(Mycolicibacterium
smegmatis) 		no annotation 5 PHE A 556
ALA A 555
ALA A 534
ALA A 570
THR A 573
 None
 1.24A 6aycA-5yrpA:
undetectable		 6aycA-5yrpA:
17.05
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.
6ay1 NUCLEOSIDE
DIPHOSPHATE KINASE

(Helicobacter
pylori) 		PF00334
(NDK) 		5 ALA A 129
MET A  66
PHE A  65
ALA A 112
ALA A 114
 None
 1.05A 6aycA-6ay1A:
undetectable		 6aycA-6ay1A:
20.14
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 11 PHE A  50
ALA A  54
TYR A 107
PHE A 109
MET A 110
PHE A 114
ALA A 289
ALA A 293
THR A 297
LEU A 358
MET A 362
 None
None
TPF  A 506 (-4.2A)
None
TPF  A 506 (-4.6A)
TPF  A 506 (-4.4A)
TPF  A 506 (-3.5A)
TPF  A 506 ( 3.2A)
HEM  A 501 (-3.4A)
TPF  A 506 ( 4.4A)
None
 0.65A 6aycA-6ay4A:
63.2		 6aycA-6ay4A:
100.00
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 11 PHE A  50
ALA A  54
TYR A 107
PHE A 109
PHE A 114
TYR A 120
ALA A 289
ALA A 293
THR A 297
LEU A 358
MET A 362
 None
None
TPF  A 506 (-4.2A)
None
TPF  A 506 (-4.4A)
None
TPF  A 506 (-3.5A)
TPF  A 506 ( 3.2A)
HEM  A 501 (-3.4A)
TPF  A 506 ( 4.4A)
None
 0.67A 6aycA-6ay4A:
63.2		 6aycA-6ay4A:
100.00
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 PHE A  83
PHE A 114
ALA A 289
ALA A 293
THR A 297
 None
TPF  A 506 (-4.4A)
TPF  A 506 (-3.5A)
TPF  A 506 ( 3.2A)
HEM  A 501 (-3.4A)
 1.22A 6aycA-6ay4A:
63.2		 6aycA-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.
6ehn CARBOHYDRATE
ESTERASE MZ0003

(unidentified
prokaryotic
organism) 		no annotation 5 ALA A 166
PHE A 226
ALA A 216
THR A 248
LEU A 115
 None
 1.33A 6aycA-6ehnA:
undetectable		 6aycA-6ehnA:
25.81
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.
6ez8 HUNTINGTIN

(Homo sapiens) 		no annotation 5 PHE A1799
ALA A1795
TYR A1351
ALA A1357
THR A1363
 None
 1.30A 6aycA-6ez8A:
undetectable		 6aycA-6ez8A:
15.22
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.
6fth EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, FAMILY 1

(Bifidobacterium
longum) 		no annotation 5 PHE A  82
ALA A 328
ALA A  34
ALA A  39
LEU A 350
 None
 1.26A 6aycA-6fthA:
undetectable		 6aycA-6fthA:
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.
6g0c UBIQUITINATING/DEUBI
QUITINATING ENZYME
SDEA

(Legionella
pneumophila) 		no annotation 5 ALA A 296
PHE A 232
ALA A 242
ALA A 244
THR A 282
 None
EDO  A1004 (-4.8A)
None
None
None
 1.34A 6aycA-6g0cA:
undetectable		 6aycA-6g0cA:
26.83