SIMILAR PATTERNS OF AMINO ACIDS FOR 6AYC_A_1YNA502

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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1brl BACTERIAL LUCIFERASE

(Vibrio harveyi) 		PF00296
(Bac_luciferase) 		4 VAL A 301
LEU A  41
PHE A 246
LEU A   8
 None
 1.08A 6aycA-1brlA:
0.0		 6aycA-1brlA:
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.
1dl5 PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Thermotoga
maritima) 		PF01135
(PCMT) 		4 VAL A 147
PRO A 184
LEU A 177
PHE A  67
 None
 1.19A 6aycA-1dl5A:
undetectable		 6aycA-1dl5A:
15.05
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.
1ebv PROSTAGLANDIN H2
SYNTHASE

(Ovis aries) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		4 VAL A 568
LEU A 294
PHE A 292
PHE A 426
 None
 1.07A 6aycA-1ebvA:
0.0		 6aycA-1ebvA:
11.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1es6 MATRIX PROTEIN VP40

(Ebola virus sp.) 		PF07447
(VP40) 		4 VAL A  69
PRO A  97
LEU A  96
LEU A 288
 None
 1.03A 6aycA-1es6A:
undetectable		 6aycA-1es6A:
13.99
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.
1fft UBIQUINOL OXIDASE

(Escherichia
coli) 		PF00115
(COX1) 		4 VAL A 156
LEU A 252
PHE A 112
LEU A 246
 None
 1.19A 6aycA-1fftA:
0.7		 6aycA-1fftA:
9.25
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.
1gpm GMP SYNTHETASE

(Escherichia
coli) 		PF00117
(GATase)
PF00958
(GMP_synt_C)
PF02540
(NAD_synthase) 		4 VAL A 273
LEU A 423
PHE A 403
LEU A 408
 None
 1.04A 6aycA-1gpmA:
0.0		 6aycA-1gpmA:
11.48
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.
1gqp DOC1/APC10

(Saccharomyces
cerevisiae) 		PF03256
(ANAPC10) 		4 VAL A 205
PRO A  95
PHE A 172
LEU A  98
 None
 1.22A 6aycA-1gqpA:
undetectable		 6aycA-1gqpA:
17.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ioo SF11-RNASE

(Nicotiana alata) 		PF00445
(Ribonuclease_T2) 		4 VAL A 144
PHE A 134
PHE A  29
LEU A 163
 None
 1.18A 6aycA-1iooA:
0.0		 6aycA-1iooA:
16.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1itz TRANSKETOLASE

(Zea mays) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 VAL A  56
PRO A  42
PHE A  72
LEU A  82
 None
 1.07A 6aycA-1itzA:
0.6		 6aycA-1itzA:
8.29
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.
1j5x GLUCOSAMINE-6-PHOSPH
ATE DEAMINASE

(Thermotoga
maritima) 		PF01380
(SIS) 		4 VAL A 214
PRO A 182
PHE A 185
PHE A 297
 None
 1.09A 6aycA-1j5xA:
undetectable		 6aycA-1j5xA:
13.60
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.
1jg3 PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Pyrococcus
furiosus) 		PF01135
(PCMT) 		4 VAL A 201
PRO A 220
LEU A 194
PHE A 218
 None
 1.05A 6aycA-1jg3A:
undetectable		 6aycA-1jg3A:
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.
1kfu M-CALPAIN LARGE
SUBUNIT

(Homo sapiens) 		PF00648
(Peptidase_C2)
PF01067
(Calpain_III)
PF13833
(EF-hand_8) 		4 VAL L 152
PHE L 167
PHE L 207
LEU L 107
 None
 1.11A 6aycA-1kfuL:
2.0		 6aycA-1kfuL:
7.95
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.
1nmo HYPOTHETICAL PROTEIN
YBGI

(Escherichia
coli) 		PF01784
(NIF3) 		4 VAL A 238
PRO A  99
LEU A  98
LEU A  14
 None
 1.07A 6aycA-1nmoA:
undetectable		 6aycA-1nmoA:
13.36
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.
1nw1 CHOLINE KINASE (49.2
KD)

(Caenorhabditis
elegans) 		PF01633
(Choline_kinase) 		4 VAL A 389
PRO A 378
LEU A 377
LEU A 422
 None
 1.07A 6aycA-1nw1A:
undetectable		 6aycA-1nw1A:
11.95
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.
1qr0 4'-PHOSPHOPANTETHEIN
YL TRANSFERASE SFP

(Bacillus
subtilis) 		PF01648
(ACPS) 		4 VAL A 204
LEU A  45
PHE A  99
LEU A  50
 None
 1.06A 6aycA-1qr0A:
undetectable		 6aycA-1qr0A:
15.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qwk ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C1

(Caenorhabditis
elegans) 		PF00248
(Aldo_ket_red) 		4 VAL A 176
LEU A 168
PHE A 190
LEU A 164
 None
 1.21A 6aycA-1qwkA:
undetectable		 6aycA-1qwkA:
13.48
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.
1tkc TRANSKETOLASE

(Saccharomyces
cerevisiae) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 PRO A  34
LEU A  35
PHE A  63
LEU A  73
 None
 1.14A 6aycA-1tkcA:
undetectable		 6aycA-1tkcA:
8.50
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.
1uek 4-(CYTIDINE
5'-DIPHOSPHO)-2C-MET
HYL-D-ERYTHRITOL
KINASE

(Thermus
thermophilus) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		4 LEU A 147
PHE A  30
PHE A 116
LEU A 131
 None
 1.11A 6aycA-1uekA:
undetectable		 6aycA-1uekA:
14.07
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.
1vcw PROTEASE DEGS

(Escherichia
coli) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		4 PRO A 237
LEU A 240
PHE A 238
LEU A 190
 None
 1.18A 6aycA-1vcwA:
undetectable		 6aycA-1vcwA:
13.47
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.
1vzv VARICELLA-ZOSTER
VIRUS PROTEASE

(Human
alphaherpesvirus
3) 		PF00716
(Peptidase_S21) 		4 VAL A  77
PRO A  71
PHE A  72
LEU A  19
 None
 0.97A 6aycA-1vzvA:
undetectable		 6aycA-1vzvA:
17.07
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.
1wyt GLYCINE
DEHYDROGENASE
SUBUNIT 2
(P-PROTEIN)

(Thermus
thermophilus) 		PF02347
(GDC-P) 		4 VAL B 260
PRO B 295
MET B 109
LEU B 296
 None
 1.21A 6aycA-1wytB:
undetectable		 6aycA-1wytB:
9.92
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.
1wz9 MASPIN PRECURSOR

(Homo sapiens) 		PF00079
(Serpin) 		4 VAL A  57
LEU A  29
PHE A 369
LEU A  19
 None
None
None
CME  A  20 ( 4.2A)
 1.04A 6aycA-1wz9A:
undetectable		 6aycA-1wz9A:
13.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zk7 MERCURIC REDUCTASE

(Pseudomonas
aeruginosa) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 VAL A 380
PHE A 455
PHE A 439
LEU A 434
 None
 1.20A 6aycA-1zk7A:
undetectable		 6aycA-1zk7A:
11.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bra NEDD9 INTERACTING
PROTEIN WITH
CALPONIN HOMOLOGY
AND LIM DOMAINS

(Mus musculus) 		PF01494
(FAD_binding_3) 		4 LEU A 162
PHE A 143
PHE A 410
LEU A 164
 None
 1.02A 6aycA-2braA:
undetectable		 6aycA-2braA:
9.50
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.
2c3d 2-OXOPROPYL-COM
REDUCTASE

(Xanthobacter
autotrophicus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 VAL A 120
LEU A 310
PHE A  93
LEU A 205
 None
 1.18A 6aycA-2c3dA:
undetectable		 6aycA-2c3dA:
9.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d4x FLAGELLAR
HOOK-ASSOCIATED
PROTEIN 3

(Salmonella
enterica) 		PF00669
(Flagellin_N) 		4 VAL A 160
LEU A 244
PHE A 136
LEU A  80
 None
 1.02A 6aycA-2d4xA:
1.4		 6aycA-2d4xA:
16.12
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.
2dep THERMOSTABLE
CELLOXYLANASE

([Clostridium]
stercorarium) 		PF00331
(Glyco_hydro_10) 		4 VAL A 186
LEU A 135
PHE A 133
LEU A 158
 None
 1.20A 6aycA-2depA:
undetectable		 6aycA-2depA:
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.
2e6k TRANSKETOLASE

(Thermus
thermophilus) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 VAL A  48
PRO A  34
PHE A  64
LEU A  74
 None
 1.15A 6aycA-2e6kA:
undetectable		 6aycA-2e6kA:
8.37
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.
2j7c BETA-GLUCOSIDASE A

(Thermotoga
maritima) 		PF00232
(Glyco_hydro_1) 		4 VAL A  45
PRO A 125
LEU A 128
PHE A 126
 None
 0.98A 6aycA-2j7cA:
undetectable		 6aycA-2j7cA:
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.
2jhn 3-METHYLADENINE
DNA-GLYCOSYLASE

(Archaeoglobus
fulgidus) 		PF00730
(HhH-GPD) 		4 VAL A  20
LEU A 231
PHE A 282
LEU A 225
 None
 1.22A 6aycA-2jhnA:
undetectable		 6aycA-2jhnA:
14.14
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.
2o0x 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Mycobacterium
tuberculosis) 		PF00275
(EPSP_synthase) 		4 VAL A 212
PRO A 103
PHE A 101
PHE A 181
 None
None
SKP  A 501 (-4.9A)
None
 0.97A 6aycA-2o0xA:
undetectable		 6aycA-2o0xA:
11.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ogv MACROPHAGE
COLONY-STIMULATING
FACTOR 1 RECEPTOR
PRECURSOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 LEU A 752
PHE A 880
PHE A 674
LEU A 750
 None
 1.12A 6aycA-2ogvA:
undetectable		 6aycA-2ogvA:
13.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ohg GLUTAMATE RACEMASE

(Streptococcus
pyogenes) 		PF01177
(Asp_Glu_race) 		4 VAL A 173
PRO A 187
LEU A 188
LEU A 181
 None
 1.21A 6aycA-2ohgA:
undetectable		 6aycA-2ohgA:
14.51
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.
2pb0 ACETYLORNITHINE/SUCC
INYLDIAMINOPIMELATE
AMINOTRANSFERASE

(Salmonella
enterica) 		PF00202
(Aminotran_3) 		4 VAL A 171
PRO A 248
LEU A 251
LEU A 223
 None
 1.19A 6aycA-2pb0A:
undetectable		 6aycA-2pb0A:
11.41
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.
2rag DIPEPTIDASE

(Caulobacter
vibrioides) 		PF01244
(Peptidase_M19) 		4 VAL A  73
LEU A  50
PHE A 370
LEU A 376
 None
 1.20A 6aycA-2ragA:
undetectable		 6aycA-2ragA:
11.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v90 PDZ
DOMAIN-CONTAINING
PROTEIN 3

(Homo sapiens) 		PF00595
(PDZ) 		4 VAL A 305
PRO A 285
LEU A 284
LEU A 252
 None
 1.21A 6aycA-2v90A:
undetectable		 6aycA-2v90A:
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.
2wcy COMPLEMENT COMPONENT
C7

(Homo sapiens) 		no annotation 4 VAL A 806
PRO A 739
LEU A 738
LEU A 765
 None
 0.97A 6aycA-2wcyA:
undetectable		 6aycA-2wcyA:
17.12
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.
2wsu PUTATIVE FIBER
PROTEIN

(Porcine
mastadenovirus
B) 		PF00337
(Gal-bind_lectin) 		4 VAL A 438
LEU A 571
PHE A 394
LEU A 520
 None
NO3  A1687 (-4.0A)
None
None
 1.09A 6aycA-2wsuA:
undetectable		 6aycA-2wsuA:
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.
2xhs NUCLEAR HORMONE
RECEPTOR FTZ-F1

(Drosophila
melanogaster) 		PF00104
(Hormone_recep) 		4 VAL A 962
PRO A 790
LEU A 791
LEU A 787
 None
 0.79A 6aycA-2xhsA:
2.0		 6aycA-2xhsA:
14.52
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.
2xyd ANGIOTENSIN-CONVERTI
NG ENZYME

(Homo sapiens) 		PF01401
(Peptidase_M2) 		4 VAL A  36
PHE A 313
MET A 363
LEU A 370
 None
 1.15A 6aycA-2xydA:
2.0		 6aycA-2xydA:
9.02
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.
2y3a PHOSPHATIDYLINOSITOL
-4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT BETA ISOFORM

(Mus musculus) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd)
PF02192
(PI3K_p85B) 		4 VAL A 950
PRO A 832
LEU A 831
LEU A 814
 None
 1.14A 6aycA-2y3aA:
undetectable		 6aycA-2y3aA:
5.40
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.
2yb4 AMIDOHYDROLASE

(Chromobacterium
violaceum) 		PF02811
(PHP) 		4 VAL A 188
PRO A  58
PHE A  59
LEU A  33
 None
 1.02A 6aycA-2yb4A:
undetectable		 6aycA-2yb4A:
15.79
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.
3c6g CYTOCHROME P450 2R1

(Homo sapiens) 		PF00067
(p450) 		4 VAL A  94
PRO A  62
LEU A  61
PHE A  77
 None
 0.73A 6aycA-3c6gA:
33.5		 6aycA-3c6gA:
9.87
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.
3eq1 PORPHOBILINOGEN
DEAMINASE

(Homo sapiens) 		PF01379
(Porphobil_deam)
PF03900
(Porphobil_deamC) 		4 VAL A 316
PRO A 264
LEU A 148
PHE A 253
 None
 1.05A 6aycA-3eq1A:
undetectable		 6aycA-3eq1A:
11.29
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.
3f3s LAMBDA-CRYSTALLIN
HOMOLOG

(Homo sapiens) 		PF00725
(3HCDH)
PF02737
(3HCDH_N) 		4 VAL A  95
LEU A  74
PHE A  25
MET A  89
 NAD  A 601 (-3.9A)
None
None
None
 1.13A 6aycA-3f3sA:
undetectable		 6aycA-3f3sA:
14.05
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.
3g6s PUTATIVE
ENDONUCLEASE/EXONUCL
EASE/PHOSPHATASE
FAMILY PROTEIN

(Bacteroides
vulgatus) 		PF03372
(Exo_endo_phos) 		4 VAL A 162
PRO A  80
PHE A 123
LEU A  81
 None
 0.70A 6aycA-3g6sA:
undetectable		 6aycA-3g6sA:
14.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g7u CYTOSINE-SPECIFIC
METHYLTRANSFERASE

(Escherichia
coli) 		PF00145
(DNA_methylase) 		4 VAL A 105
LEU A  15
PHE A 112
LEU A 358
 None
 0.97A 6aycA-3g7uA:
undetectable		 6aycA-3g7uA:
13.87
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.
3ggr CELL CYCLE
CHECKPOINT CONTROL
PROTEIN RAD9A

(Homo sapiens) 		PF04139
(Rad9) 		4 VAL A 261
LEU A 255
PHE A  53
PHE A 136
 None
 1.15A 6aycA-3ggrA:
undetectable		 6aycA-3ggrA:
16.54
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.
3ihw CENTG3

(Homo sapiens) 		PF00071
(Ras) 		4 VAL A 245
LEU A 151
PHE A 162
LEU A 182
 None
 1.05A 6aycA-3ihwA:
undetectable		 6aycA-3ihwA:
18.58
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.
3na8 PUTATIVE
DIHYDRODIPICOLINATE
SYNTHETASE

(Pseudomonas
aeruginosa) 		PF00701
(DHDPS) 		4 VAL A 245
LEU A 233
PHE A 257
LEU A 264
 None
 1.17A 6aycA-3na8A:
undetectable		 6aycA-3na8A:
13.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nnm CURA

(Lyngbya
majuscula) 		PF05721
(PhyH) 		4 VAL A 226
PHE A 221
MET A  98
LEU A  95
 None
 1.19A 6aycA-3nnmA:
undetectable		 6aycA-3nnmA:
14.02
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.
3pie 5'->3'
EXORIBONUCLEASE
(XRN1)

(Kluyveromyces
lactis) 		PF03159
(XRN_N) 		4 LEU A  20
PHE A 245
PHE A  29
LEU A 247
 None
 1.00A 6aycA-3pieA:
undetectable		 6aycA-3pieA:
5.28
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.
3q8x ANTIDOTE OF
EPSILON-ZETA
POSTSEGREGATIONAL
KILLING SYSTEM
ZETA-TOXIN

(Streptococcus
pyogenes) 		PF06414
(Zeta_toxin)
PF08998
(Epsilon_antitox) 		4 VAL A   3
LEU B 113
PHE B  36
LEU B  38
 None
 1.09A 6aycA-3q8xA:
undetectable		 6aycA-3q8xA:
15.56
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.
3r0v ALPHA/BETA HYDROLASE
FOLD PROTEIN

(Sphaerobacter
thermophilus) 		PF12697
(Abhydrolase_6) 		4 VAL A 188
PHE A  89
MET A 209
LEU A 111
 None
 1.10A 6aycA-3r0vA:
undetectable		 6aycA-3r0vA:
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.
3t1p ALPHA-1-ANTITRYPSIN

(Homo sapiens) 		PF00079
(Serpin) 		4 VAL A 145
PRO A 326
PHE A 182
LEU A 327
 None
 0.97A 6aycA-3t1pA:
undetectable		 6aycA-3t1pA:
14.15
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.
3vti HYDROGENASE
MATURATION FACTOR

(Caldanaerobacter
subterraneus) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		4 VAL C 149
PRO C  78
PHE C 118
LEU C  79
 None
 1.21A 6aycA-3vtiC:
undetectable		 6aycA-3vtiC:
14.06
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.
3vys HYDROGENASE
EXPRESSION/FORMATION
PROTEIN HYPD

(Thermococcus
kodakarensis) 		PF01924
(HypD) 		4 VAL B  61
PRO B 339
LEU B 340
PHE B 341
 None
None
SF4  B 501 ( 4.3A)
None
 1.22A 6aycA-3vysB:
undetectable		 6aycA-3vysB:
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.
3waj TRANSMEMBRANE
OLIGOSACCHARYL
TRANSFERASE

(Archaeoglobus
fulgidus) 		PF02516
(STT3) 		4 VAL A  36
PRO A 148
LEU A 488
LEU A 152
 None
 1.12A 6aycA-3wajA:
undetectable		 6aycA-3wajA:
6.85
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.
3wwe OXIDIZED POLYVINYL
ALCOHOL HYDROLASE

(Pseudomonas sp.
VM15C) 		no annotation 4 LEU A 168
PHE A 167
PHE A 308
LEU A 193
 None
 1.21A 6aycA-3wweA:
undetectable		 6aycA-3wweA:
13.65
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.
4ce4 MRPL20
MRPL21

(Sus scrofa) 		PF00453
(Ribosomal_L20)
PF00829
(Ribosomal_L21p) 		4 VAL V 137
PRO U 110
PHE U 113
PHE V 100
 None
 1.09A 6aycA-4ce4V:
undetectable		 6aycA-4ce4V:
20.60
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.
4d3r DUAL SPECIFICITY
PROTEIN PHOSPHATASE
19

(Homo sapiens) 		PF00782
(DSPc) 		4 VAL A 148
PHE A 177
PHE A 129
LEU A 197
 None
 1.01A 6aycA-4d3rA:
undetectable		 6aycA-4d3rA:
18.31
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.
4e8d GLYCOSYL HYDROLASE,
FAMILY 35

(Streptococcus
pneumoniae) 		PF01301
(Glyco_hydro_35) 		4 VAL A 355
LEU A 412
PHE A 569
LEU A 446
 None
 1.16A 6aycA-4e8dA:
undetectable		 6aycA-4e8dA:
9.25
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.
4eg2 CYTIDINE DEAMINASE

(Vibrio cholerae) 		PF00383
(dCMP_cyt_deam_1)
PF08211
(dCMP_cyt_deam_2) 		4 VAL A  77
PRO A 240
LEU A 241
PHE A 135
 None
 1.13A 6aycA-4eg2A:
undetectable		 6aycA-4eg2A:
14.92
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.
4i4n INTRACELLULAR
PROTEASE/AMIDASE

(Vibrio cholerae) 		no annotation 4 VAL A 104
LEU A 266
PHE A 153
LEU A 187
 None
 0.94A 6aycA-4i4nA:
undetectable		 6aycA-4i4nA:
17.76
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.
4jso OLIGOPEPTIDE ABC
TRANSPORTER,
PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF00496
(SBP_bac_5) 		4 VAL A 115
PRO A  39
LEU A  38
PHE A 122
 None
 1.02A 6aycA-4jsoA:
0.6		 6aycA-4jsoA:
11.04
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.
4opm LIPASE

(Acinetobacter
baumannii) 		PF12697
(Abhydrolase_6) 		4 VAL A 118
LEU A 262
PHE A 250
LEU A 280
 None
 1.20A 6aycA-4opmA:
undetectable		 6aycA-4opmA:
14.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p53 CYCLASE

(Streptomyces
hygroscopicus) 		PF01761
(DHQ_synthase) 		4 VAL A 358
PRO A 370
LEU A 219
LEU A 369
 None
 1.12A 6aycA-4p53A:
undetectable		 6aycA-4p53A:
11.67
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.
4rih GLYCOSYL TRANSFERASE
HOMOLOG,GLYCOSYL
TRANSFERASE

(Streptomyces
cyanogenus;
Streptomyces
fradiae) 		PF06722
(DUF1205) 		4 VAL A 373
PRO A 362
LEU A 361
LEU A  20
 None
 0.90A 6aycA-4rihA:
undetectable		 6aycA-4rihA:
12.93
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.
4tsd HP1029

(Helicobacter
pylori) 		no annotation 4 VAL B  85
PHE B   4
PHE B  14
LEU B  10
 None
 1.21A 6aycA-4tsdB:
undetectable		 6aycA-4tsdB:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4txk PROTEIN-METHIONINE
SULFOXIDE OXIDASE
MICAL1

(Mus musculus) 		PF00307
(CH)
PF01494
(FAD_binding_3) 		4 VAL A 546
PRO A 596
LEU A 597
PHE A 532
 None
 1.14A 6aycA-4txkA:
undetectable		 6aycA-4txkA:
7.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ug4 CHOLINE SULFATASE

(Sinorhizobium
meliloti) 		PF00884
(Sulfatase)
PF12411
(Choline_sulf_C) 		4 VAL A  13
LEU A 306
PHE A 308
LEU A 301
 None
 1.06A 6aycA-4ug4A:
undetectable		 6aycA-4ug4A:
9.59
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.
4um2 TELOMERASE-BINDING
PROTEIN EST1A

(Homo sapiens) 		PF10373
(EST1_DNA_bind)
PF10374
(EST1) 		4 PHE A 923
PHE A 912
MET A 943
LEU A 974
 None
 1.21A 6aycA-4um2A:
2.2		 6aycA-4um2A:
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.
4wqm TOLUENE-4-MONOOXYGEN
ASE ELECTRON
TRANSFER COMPONENT

(Pseudomonas
mendocina) 		PF00111
(Fer2)
PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		4 LEU A  74
PHE A  73
PHE A  13
LEU A  21
 FES  A 401 ( 4.1A)
None
None
None
 0.97A 6aycA-4wqmA:
undetectable		 6aycA-4wqmA:
12.69
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.
4xoh DIVISION MAL FOUTUE
1 PROTEIN

(Schizosaccharomyces
pombe) 		no annotation 4 LEU C 176
PHE C 141
PHE C  70
LEU C 173
 None
 1.20A 6aycA-4xohC:
undetectable		 6aycA-4xohC:
13.56
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.
4zxz LEVOGLUCOSAN KINASE

(Lipomyces
starkeyi) 		PF03702
(AnmK) 		4 VAL A 422
LEU A  19
PHE A 366
PHE A  46
 None
 1.03A 6aycA-4zxzA:
undetectable		 6aycA-4zxzA:
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.
5ahn INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00478
(IMPDH)
PF00571
(CBS) 		4 VAL A  86
PRO A  43
LEU A  30
MET A 359
 None
 0.91A 6aycA-5ahnA:
undetectable		 6aycA-5ahnA:
9.98
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.
5bo6 SIA-ALPHA-2,3-GAL-BE
TA-1,4-GLCNAC-R:ALPH
A
2,8-SIALYLTRANSFERAS
E

(Homo sapiens) 		PF00777
(Glyco_transf_29) 		4 VAL A 265
PRO A 246
PHE A 210
PHE A 144
 None
 0.87A 6aycA-5bo6A:
undetectable		 6aycA-5bo6A:
13.31
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.
5gza PROTEIN O-MANNOSE
KINASE

(Danio rerio) 		PF07714
(Pkinase_Tyr) 		4 VAL A 155
LEU A 121
PHE A 186
LEU A 226
 None
 1.19A 6aycA-5gzaA:
undetectable		 6aycA-5gzaA:
13.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5idi 1,4-BETA-D-GLUCAN
GLUCOHYDROLASE

(Thermotoga
neapolitana) 		PF00232
(Glyco_hydro_1) 		4 VAL A  43
PRO A 123
LEU A 126
PHE A 124
 None
 0.98A 6aycA-5idiA:
undetectable		 6aycA-5idiA:
8.43
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.
5jod PROPLASMEPSIN IV

(Plasmodium
falciparum) 		PF00026
(Asp) 		4 VAL A 320
PRO A 159
PHE A 177
LEU A 158
 None
 1.19A 6aycA-5jodA:
undetectable		 6aycA-5jodA:
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.
5k0u CAPSID PROTEIN VP3

(Rhinovirus C) 		PF00073
(Rhv) 		4 VAL B  72
PRO B  85
PHE B 116
LEU B  84
 None
 1.16A 6aycA-5k0uB:
undetectable		 6aycA-5k0uB:
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.
5ko8 NITROREDUCTASE

(Haliscomenobacter
hydrossis) 		PF00881
(Nitroreductase) 		4 VAL A 151
PRO A 176
PHE A 129
LEU A 180
 None
 1.11A 6aycA-5ko8A:
undetectable		 6aycA-5ko8A:
15.89
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.
5l0v PROTEIN
O-GLUCOSYLTRANSFERAS
E 1

(Homo sapiens) 		PF05686
(Glyco_transf_90) 		4 VAL A 328
PRO A 220
LEU A 223
LEU A 318
 None
None
MPD  A1006 ( 4.4A)
MPD  A1006 ( 4.6A)
 1.09A 6aycA-5l0vA:
undetectable		 6aycA-5l0vA:
12.99
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.
5oqp CONDENSIN COMPLEX
SUBUNIT 3

(Saccharomyces
cerevisiae) 		no annotation 4 VAL A 835
LEU A 724
PHE A 725
LEU A 730
 None
 1.19A 6aycA-5oqpA:
undetectable		 6aycA-5oqpA:
6.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tii 3-OXOACYL-ACP
REDUCTASE

(uncultured
bacterium) 		PF13561
(adh_short_C2) 		4 VAL A  26
LEU A 124
PHE A  37
LEU A  77
 None
 1.00A 6aycA-5tiiA:
undetectable		 6aycA-5tiiA:
15.67
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.
5tz6 CURJ

(Moorea
producens) 		PF14765
(PS-DH) 		4 VAL A 984
LEU A1150
PHE A 967
LEU A 948
 None
 1.03A 6aycA-5tz6A:
undetectable		 6aycA-5tz6A:
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.
5u7z ACID CERAMIDASE

(Homo sapiens) 		no annotation 4 VAL B 147
LEU B 189
PHE B 219
LEU B 257
 None
 0.93A 6aycA-5u7zB:
undetectable		 6aycA-5u7zB:
22.11
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.
5uze INOSINE-5'-MONOPHOSP
HATE
DEHYDROGENASE,INOSIN
E-5'-MONOPHOSPHATE
DEHYDROGENASE

(Clostridium
perfringens) 		PF00478
(IMPDH) 		4 VAL A  86
PRO A  43
LEU A  30
MET A 358
 None
 0.87A 6aycA-5uzeA:
undetectable		 6aycA-5uzeA:
10.74
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.
5vni PROTEIN TRANSPORT
PROTEIN SEC23A

(Homo sapiens) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		4 PRO A  72
LEU A  73
PHE A  94
LEU A 110
 None
 1.12A 6aycA-5vniA:
undetectable		 6aycA-5vniA:
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.
5x8g 2-SUCCINYLBENZOATE--
COA LIGASE

(Bacillus
subtilis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 VAL A 213
LEU A  83
PHE A 195
PHE A 204
 None
 0.97A 6aycA-5x8gA:
undetectable		 6aycA-5x8gA:
9.57
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.
5z7r SHORT-CHAIN-ENOYL-CO
A HYDRATASE

(Clostridium
acetobutylicum) 		no annotation 4 VAL A 100
LEU A  25
PHE A  90
LEU A  28
 None
 0.93A 6aycA-5z7rA:
undetectable		 6aycA-5z7rA:
21.43
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 6 VAL A 119
PRO A 213
LEU A 214
PHE A 216
PHE A 292
LEU A 467
 None
None
None
None
TPF  A 506 ( 4.0A)
EDO  A 503 (-4.2A)
 0.28A 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 6 VAL A 119
PRO A 213
LEU A 214
PHE A 292
MET A 360
LEU A 467
 None
None
None
TPF  A 506 ( 4.0A)
None
EDO  A 503 (-4.2A)
 0.43A 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.
6az1 RIBOSOMAL PROTEIN
S7E

(Leishmania
donovani) 		no annotation 4 VAL I  77
LEU I   5
PHE I  28
PHE I  70
 None
None
None
G  1 991 ( 4.7A)
 1.21A 6aycA-6az1I:
undetectable		 6aycA-6az1I:
19.78
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.
6co9 PROBABLE
COA-TRANSFERASE
ALPHA SUBUNIT
PROBABLE
COA-TRANSFERASE BETA
SUBUNIT

(Rhodococcus
jostii) 		no annotation 4 VAL B 159
PRO A 123
LEU A 122
LEU A 157
 None
 1.06A 6aycA-6co9B:
undetectable		 6aycA-6co9B:
15.29
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.
6erc PEROXINECTIN A

(Dictyostelium
discoideum) 		no annotation 4 VAL A 209
PRO A 238
PHE A 352
LEU A 241
 None
 1.15A 6aycA-6ercA:
undetectable		 6aycA-6ercA:
25.00
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.
6erc PEROXINECTIN A

(Dictyostelium
discoideum) 		no annotation 4 VAL A 212
PRO A 238
PHE A 352
LEU A 241
 None
 1.21A 6aycA-6ercA:
undetectable		 6aycA-6ercA:
25.00
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.
6ewi CENTROSOMAL PROTEIN
120

(Oreochromis
niloticus) 		no annotation 4 VAL A 195
PRO A 330
PHE A 222
LEU A 311
 None
 1.13A 6aycA-6ewiA:
undetectable		 6aycA-6ewiA:
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.
6f49 -

(-) 		no annotation 4 PRO A 229
LEU A 230
MET A  63
LEU A 226
 None
 1.21A 6aycA-6f49A:
undetectable		 6aycA-6f49A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fwf NITRIC-OXIDE
REDUCTASE

(Neisseria
meningitidis) 		no annotation 4 VAL A 488
LEU A 433
PHE A 496
LEU A 348
 None
 1.20A 6aycA-6fwfA:
0.4		 6aycA-6fwfA:
21.69