SIMILAR PATTERNS OF AMINO ACIDS FOR 2Y05_A_RALA802

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.
1a88 CHLOROPEROXIDASE L

(Streptomyces
lividans) 		PF00561
(Abhydrolase_1) 		4 VAL A  78
TYR A 105
GLY A  94
VAL A  25
 None
 0.91A 2y05A-1a88A:
3.6
2y05B-1a88A:
3.6		 2y05A-1a88A:
22.94
2y05B-1a88A:
22.94
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.
1atj PEROXIDASE C1A

(Armoracia
rusticana) 		PF00141
(peroxidase) 		4 VAL A 263
TYR A 234
ASN A 236
GLY A 242
 None
 0.80A 2y05A-1atjA:
undetectable
2y05B-1atjA:
undetectable		 2y05A-1atjA:
21.90
2y05B-1atjA:
21.90
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.
1eh6 O6-ALKYLGUANINE-DNA
ALKYLTRANSFERASE

(Homo sapiens) 		PF01035
(DNA_binding_1)
PF02870
(Methyltransf_1N) 		4 ARG A 128
ASN A 157
GLY A 156
VAL A 148
 None
 0.93A 2y05A-1eh6A:
undetectable
2y05B-1eh6A:
undetectable		 2y05A-1eh6A:
21.91
2y05B-1eh6A:
21.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fhf SEED COAT PEROXIDASE

(Glycine max) 		PF00141
(peroxidase) 		4 VAL A 261
TYR A 233
ASN A 235
GLY A 241
 None
 0.69A 2y05A-1fhfA:
undetectable
2y05B-1fhfA:
undetectable		 2y05A-1fhfA:
23.90
2y05B-1fhfA:
23.90
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.
1guz MALATE DEHYDROGENASE

(Chlorobaculum
tepidum;
Prosthecochloris
vibrioformis) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 VAL A 116
ASN A  94
GLY A  96
VAL A 101
 None
NAD  A1306 ( 4.5A)
None
None
 0.94A 2y05A-1guzA:
5.5
2y05B-1guzA:
5.5		 2y05A-1guzA:
24.04
2y05B-1guzA:
24.04
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.
1jcn INOSINE
MONOPHOSPHATE
DEHYDROGENASE I

(Homo sapiens) 		PF00478
(IMPDH)
PF00571
(CBS) 		4 VAL A 350
ARG A 341
ASN A 303
GLY A 302
 None
None
CPR  A 631 ( 4.5A)
None
 0.92A 2y05A-1jcnA:
undetectable
2y05B-1jcnA:
undetectable		 2y05A-1jcnA:
21.76
2y05B-1jcnA:
21.76
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.
1je5 HELIX-DESTABILIZING
PROTEIN

(Escherichia
virus T7) 		no annotation 4 VAL A  37
ARG A  35
ASN A  26
GLY A  30
 None
 0.87A 2y05A-1je5A:
undetectable
2y05B-1je5A:
undetectable		 2y05A-1je5A:
22.19
2y05B-1je5A:
22.19
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.
1khd ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE

(Pectobacterium
carotovorum) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N) 		4 ARG A 123
GLY A  93
VAL A  90
ASP A  95
 None
 0.90A 2y05A-1khdA:
3.3
2y05B-1khdA:
3.5		 2y05A-1khdA:
22.40
2y05B-1khdA:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1koa TWITCHIN

(Caenorhabditis
elegans) 		PF00069
(Pkinase)
PF07679
(I-set) 		4 VAL A6351
TYR A6336
GLY A6322
ASP A6320
 None
 0.75A 2y05A-1koaA:
undetectable
2y05B-1koaA:
undetectable		 2y05A-1koaA:
19.44
2y05B-1koaA:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lrt INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Tritrichomonas
suis) 		PF00478
(IMPDH) 		4 VAL A 338
ARG A 329
ASN A 291
GLY A 290
 None
None
IMP  A 801 ( 4.6A)
None
 0.83A 2y05A-1lrtA:
undetectable
2y05B-1lrtA:
undetectable		 2y05A-1lrtA:
22.08
2y05B-1lrtA:
22.08
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.
1m93 SERINE PROTEINASE
INHIBITOR 2

(Cowpox virus) 		PF00079
(Serpin) 		4 VAL B 273
TYR B 265
ASN B 267
ASP B  75
 None
 0.96A 2y05A-1m93B:
undetectable
2y05B-1m93B:
undetectable		 2y05A-1m93B:
22.19
2y05B-1m93B:
22.19
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.
1mb1 MLU1-BOX BINDING
PROTEIN

(Saccharomyces
cerevisiae) 		PF04383
(KilA-N) 		4 VAL A  13
ARG A   9
GLY A  69
VAL A  66
 None
 0.74A 2y05A-1mb1A:
undetectable
2y05B-1mb1A:
undetectable		 2y05A-1mb1A:
18.28
2y05B-1mb1A:
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.
1mew INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Tritrichomonas
suis) 		PF00478
(IMPDH)
PF00571
(CBS) 		4 VAL A 338
ARG A 329
ASN A 291
GLY A 290
 None
None
XMP  A 602 ( 4.4A)
None
 0.94A 2y05A-1mewA:
undetectable
2y05B-1mewA:
undetectable		 2y05A-1mewA:
24.31
2y05B-1mewA:
24.31
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.
1mlz 7,8-DIAMINO-PELARGON
IC ACID
AMINOTRANSFERASE

(Escherichia
coli) 		PF00202
(Aminotran_3) 		4 VAL A 367
GLY A 218
VAL A 214
ASP A 156
 None
 0.93A 2y05A-1mlzA:
3.9
2y05B-1mlzA:
undetectable		 2y05A-1mlzA:
20.95
2y05B-1mlzA:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mz5 SIALIDASE

(Trypanosoma
rangeli) 		PF13385
(Laminin_G_3)
PF13859
(BNR_3) 		4 VAL A 467
TYR A 476
ARG A 474
GLY A 269
 None
 0.82A 2y05A-1mz5A:
undetectable
2y05B-1mz5A:
undetectable		 2y05A-1mz5A:
21.45
2y05B-1mz5A:
21.45
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.
1n7g GDP-D-MANNOSE-4,6-DE
HYDRATASE

(Arabidopsis
thaliana) 		PF16363
(GDP_Man_Dehyd) 		4 ASN A 248
GLY A 247
VAL A 225
ASP A 309
 None
GDR  A 801 (-3.6A)
GDR  A 801 (-3.6A)
None
 0.89A 2y05A-1n7gA:
5.0
2y05B-1n7gA:
5.5		 2y05A-1n7gA:
22.28
2y05B-1n7gA:
22.28
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.
1oxx ABC TRANSPORTER, ATP
BINDING PROTEIN

(Sulfolobus
solfataricus) 		PF00005
(ABC_tran) 		4 VAL K  87
ARG K 153
VAL K 183
ASP K 129
 None
None
IOD  K1914 (-4.7A)
None
 0.70A 2y05A-1oxxK:
undetectable
2y05B-1oxxK:
undetectable		 2y05A-1oxxK:
22.51
2y05B-1oxxK:
22.51
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.
1qcx PECTIN LYASE B

(Aspergillus
niger) 		PF00544
(Pec_lyase_C) 		4 VAL A 223
ASN A 243
GLY A 242
VAL A 240
 None
 0.91A 2y05A-1qcxA:
undetectable
2y05B-1qcxA:
undetectable		 2y05A-1qcxA:
22.34
2y05B-1qcxA:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qnt METHYLATED-DNA--PROT
EIN-CYSTEINE
METHYLTRANSFERASE

(Homo sapiens) 		PF01035
(DNA_binding_1)
PF02870
(Methyltransf_1N) 		4 ARG A 128
ASN A 157
GLY A 156
VAL A 148
 None
 0.93A 2y05A-1qntA:
undetectable
2y05B-1qntA:
undetectable		 2y05A-1qntA:
21.23
2y05B-1qntA:
21.23
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.
1qsa PROTEIN (SOLUBLE
LYTIC
TRANSGLYCOSYLASE
SLT70)

(Escherichia
coli) 		PF01464
(SLT)
PF14718
(SLT_L) 		4 VAL A 559
ASN A 544
GLY A 542
VAL A 537
 None
 0.95A 2y05A-1qsaA:
undetectable
2y05B-1qsaA:
undetectable		 2y05A-1qsaA:
18.93
2y05B-1qsaA:
18.93
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.
1rpn GDP-MANNOSE
4,6-DEHYDRATASE

(Pseudomonas
aeruginosa) 		PF16363
(GDP_Man_Dehyd) 		4 ASN A 213
GLY A 212
VAL A 190
ASP A 274
 None
GDP  A1601 (-3.3A)
GDP  A1601 (-3.7A)
None
 0.90A 2y05A-1rpnA:
5.3
2y05B-1rpnA:
5.6		 2y05A-1rpnA:
21.98
2y05B-1rpnA:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rzm PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE

(Thermotoga
maritima) 		PF00793
(DAHP_synth_1) 		4 ARG A 276
ASN A 248
GLY A 238
ASP A 251
 None
 0.94A 2y05A-1rzmA:
2.2
2y05B-1rzmA:
2.2		 2y05A-1rzmA:
24.31
2y05B-1rzmA:
24.31
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.
1sch PEANUT PEROXIDASE,
MAJOR CATIONIC
ISOZYME

(Arachis
hypogaea) 		PF00141
(peroxidase) 		4 VAL A 252
TYR A 226
ASN A 228
GLY A 234
 None
 0.83A 2y05A-1schA:
undetectable
2y05B-1schA:
undetectable		 2y05A-1schA:
22.88
2y05B-1schA:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u37 AMYLOID BETA A4
PRECURSOR
PROTEIN-BINDING,
FAMILY A, MEMBER 1

(Homo sapiens) 		PF00595
(PDZ) 		4 VAL A  99
ARG A  98
GLY A  56
VAL A  33
 None
 0.94A 2y05A-1u37A:
undetectable
2y05B-1u37A:
undetectable		 2y05A-1u37A:
13.83
2y05B-1u37A:
13.83
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.
1vb3 THREONINE SYNTHASE

(Escherichia
coli) 		PF00291
(PALP)
PF14821
(Thr_synth_N) 		4 VAL A 312
ASN A 249
GLY A 248
VAL A 279
 None
KPA  A 500 ( 4.1A)
SO4  A 501 (-3.7A)
None
 0.81A 2y05A-1vb3A:
2.2
2y05B-1vb3A:
2.3		 2y05A-1vb3A:
22.71
2y05B-1vb3A:
22.71
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.
1vqv THIAMINE
MONOPHOSPHATE KINASE

(Aquifex
aeolicus) 		PF00586
(AIRS) 		4 VAL A 151
ASN A 203
GLY A 144
VAL A 225
 None
 0.80A 2y05A-1vqvA:
undetectable
2y05B-1vqvA:
undetectable		 2y05A-1vqvA:
21.74
2y05B-1vqvA:
21.74
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.
1w99 PESTICIDIAL CRYSTAL
PROTEIN CRY4BA

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		4 VAL A 324
ARG A 323
ASN A 375
VAL A 378
 None
 0.82A 2y05A-1w99A:
undetectable
2y05B-1w99A:
undetectable		 2y05A-1w99A:
18.82
2y05B-1w99A:
18.82
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.
1y9a NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Entamoeba
histolytica) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 VAL A 178
ASN A 264
GLY A 263
VAL A 172
ASP A 261
 None
 1.38A 2y05A-1y9aA:
25.1
2y05B-1y9aA:
25.2		 2y05A-1y9aA:
25.59
2y05B-1y9aA:
25.59
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.
1ynw RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00105
(zf-C4) 		4 VAL B 249
TYR B 250
GLY B 239
ASP B 280
 None
 0.86A 2y05A-1ynwB:
undetectable
2y05B-1ynwB:
undetectable		 2y05A-1ynwB:
14.67
2y05B-1ynwB:
14.67
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.
1yzy HYPOTHETICAL PROTEIN
HI1011

(Haemophilus
influenzae) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		4 VAL A 171
TYR A 168
ASN A 123
GLY A 124
 None
 0.89A 2y05A-1yzyA:
undetectable
2y05B-1yzyA:
undetectable		 2y05A-1yzyA:
22.25
2y05B-1yzyA:
22.25
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.
1zrt CYTOCHROME B

(Rhodobacter
capsulatus) 		PF00032
(Cytochrom_B_C)
PF00033
(Cytochrome_B) 		4 VAL C 186
GLY C 152
VAL C 148
ASP C 278
 None
 0.96A 2y05A-1zrtC:
undetectable
2y05B-1zrtC:
undetectable		 2y05A-1zrtC:
20.63
2y05B-1zrtC:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2av9 THIOESTERASE

(Pseudomonas
aeruginosa) 		PF03061
(4HBT) 		4 TYR A  98
ARG A  90
GLY A 114
ASP A  71
 None
 0.92A 2y05A-2av9A:
undetectable
2y05B-2av9A:
undetectable		 2y05A-2av9A:
16.57
2y05B-2av9A:
16.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bpa PROTEIN (SUBUNIT OF
BACTERIOPHAGE
PHIX174)

(Escherichia
virus phiX174) 		PF02306
(Phage_G) 		4 VAL 2 146
GLY 2 157
VAL 2 159
ASP 2  45
 None
 0.91A 2y05A-2bpa2:
undetectable
2y05B-2bpa2:
undetectable		 2y05A-2bpa2:
24.76
2y05B-2bpa2:
24.76
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.
2cw2 SUPEROXIDE DISMUTASE
1

(Perkinsus
marinus) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 ASN A 149
GLY A 148
VAL A 142
ASP A 146
 None
 0.80A 2y05A-2cw2A:
undetectable
2y05B-2cw2A:
undetectable		 2y05A-2cw2A:
21.10
2y05B-2cw2A:
21.10
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.
2cy7 CYSTEINE PROTEASE
APG4B

(Homo sapiens) 		PF03416
(Peptidase_C54) 		4 TYR A 269
ARG A 307
VAL A 240
ASP A 314
 None
 0.92A 2y05A-2cy7A:
undetectable
2y05B-2cy7A:
undetectable		 2y05A-2cy7A:
19.70
2y05B-2cy7A:
19.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dmj POLY (ADP-RIBOSE)
POLYMERASE FAMILY,
MEMBER 1

(Homo sapiens) 		PF00645
(zf-PARP) 		4 TYR A  59
ARG A  41
VAL A  46
ASP A  13
 None
 0.85A 2y05A-2dmjA:
undetectable
2y05B-2dmjA:
undetectable		 2y05A-2dmjA:
15.72
2y05B-2dmjA:
15.72
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.
2egc SH3 AND PX
DOMAIN-CONTAINING
PROTEIN 2A

(Homo sapiens) 		PF07653
(SH3_2) 		4 TYR A  46
ASN A  40
GLY A  43
VAL A  60
 None
 0.91A 2y05A-2egcA:
undetectable
2y05B-2egcA:
undetectable		 2y05A-2egcA:
17.11
2y05B-2egcA:
17.11
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.
2fuv PHOSPHOGLUCOMUTASE

(Salmonella
enterica) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		4 ARG A 190
ASN A 105
GLY A 106
VAL A 109
 None
 0.84A 2y05A-2fuvA:
undetectable
2y05B-2fuvA:
3.5		 2y05A-2fuvA:
21.03
2y05B-2fuvA:
21.03
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.
2gqd 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Staphylococcus
aureus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 VAL A 148
GLY A  13
VAL A  87
ASP A  21
 None
 0.94A 2y05A-2gqdA:
undetectable
2y05B-2gqdA:
undetectable		 2y05A-2gqdA:
21.78
2y05B-2gqdA:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hzk TRAP-T FAMILY
SORBITOL/MANNITOL
TRANSPORTER,
PERIPLASMIC BINDING
PROTEIN, SMOM

(Rhodobacter
sphaeroides) 		PF03480
(DctP) 		4 VAL A 216
ASN A 152
GLY A 151
VAL A  97
 None
 0.96A 2y05A-2hzkA:
undetectable
2y05B-2hzkA:
undetectable		 2y05A-2hzkA:
23.83
2y05B-2hzkA:
23.83
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.
2iwa GLUTAMINE
CYCLOTRANSFERASE

(Carica papaya) 		PF05096
(Glu_cyclase_2) 		4 ARG A  27
ASN A 169
GLY A 170
VAL A 173
 None
 0.88A 2y05A-2iwaA:
undetectable
2y05B-2iwaA:
undetectable		 2y05A-2iwaA:
20.99
2y05B-2iwaA:
20.99
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.
2ixq PROTEIN AFAD

(Escherichia
coli) 		PF05775
(AfaD) 		4 VAL A 113
GLY A  68
VAL A  65
ASP A  70
 VAL  A 113 ( 0.5A)
GLY  A  68 ( 0.0A)
VAL  A  65 ( 0.5A)
ASP  A  70 ( 0.4A)
 0.85A 2y05A-2ixqA:
undetectable
2y05B-2ixqA:
undetectable		 2y05A-2ixqA:
17.59
2y05B-2ixqA:
17.59
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.
2ka7 GLYCINE CLEAVAGE
SYSTEM H PROTEIN

(Thermotoga
maritima) 		PF01597
(GCV_H) 		4 VAL A  65
GLY A  95
VAL A  22
ASP A  90
 None
 0.95A 2y05A-2ka7A:
undetectable
2y05B-2ka7A:
undetectable		 2y05A-2ka7A:
17.63
2y05B-2ka7A:
17.63
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.
2l6n UNCHARACTERIZED
PROTEIN
YP_001092504.1

(Shewanella
loihica) 		PF06155
(DUF971) 		4 VAL A  11
ASN A  74
GLY A  73
VAL A  77
 None
 0.94A 2y05A-2l6nA:
undetectable
2y05B-2l6nA:
undetectable		 2y05A-2l6nA:
16.77
2y05B-2l6nA:
16.77
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.
2q66 POLY(A) POLYMERASE

(Saccharomyces
cerevisiae) 		PF01909
(NTP_transf_2)
PF04926
(PAP_RNA-bind)
PF04928
(PAP_central) 		4 VAL A 521
GLY A 467
VAL A 512
ASP A 469
 None
 0.92A 2y05A-2q66A:
undetectable
2y05B-2q66A:
undetectable		 2y05A-2q66A:
20.96
2y05B-2q66A:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qjp CYTOCHROME B

(Rhodobacter
sphaeroides) 		PF00032
(Cytochrom_B_C)
PF00033
(Cytochrome_B) 		4 VAL A 186
GLY A 152
VAL A 148
ASP A 278
 None
 0.95A 2y05A-2qjpA:
undetectable
2y05B-2qjpA:
undetectable		 2y05A-2qjpA:
21.70
2y05B-2qjpA:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rhq PHENYLALANYL-TRNA
SYNTHETASE ALPHA
CHAIN

(Staphylococcus
haemolyticus) 		PF01409
(tRNA-synt_2d) 		4 ASN A 185
GLY A 186
VAL A 190
ASP A 303
 None
 0.87A 2y05A-2rhqA:
undetectable
2y05B-2rhqA:
undetectable		 2y05A-2rhqA:
23.29
2y05B-2rhqA:
23.29
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.
3anx SPERMIDINE SYNTHASE

(Thermus
thermophilus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 VAL A  24
ARG A  23
GLY A   4
ASP A   2
 None
 0.96A 2y05A-3anxA:
6.0
2y05B-3anxA:
4.8		 2y05A-3anxA:
23.14
2y05B-3anxA:
23.14
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.
3buu UNCHARACTERIZED LOLA
SUPERFAMILY PROTEIN
NE2245

(Nitrosomonas
europaea) 		PF17131
(LolA_like) 		4 VAL A  58
TYR A  74
GLY A 132
VAL A 129
 None
 0.84A 2y05A-3buuA:
undetectable
2y05B-3buuA:
undetectable		 2y05A-3buuA:
22.32
2y05B-3buuA:
22.32
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.
3d3m EUKARYOTIC
TRANSLATION
INITIATION FACTOR 4
GAMMA 2

(Homo sapiens) 		PF02020
(W2) 		4 VAL A 828
TYR A 832
ASN A 770
GLY A 767
 None
 0.89A 2y05A-3d3mA:
undetectable
2y05B-3d3mA:
undetectable		 2y05A-3d3mA:
18.01
2y05B-3d3mA:
18.01
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.
3e6e ALANINE RACEMASE

(Enterococcus
faecalis) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		4 VAL A 334
ARG A 248
GLY A  45
VAL A 358
 None
 0.82A 2y05A-3e6eA:
2.4
2y05B-3e6eA:
2.2		 2y05A-3e6eA:
22.53
2y05B-3e6eA:
22.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fot 15-O-ACETYLTRANSFERA
SE

(Fusarium
sporotrichioides) 		PF07428
(Tri3) 		4 VAL A 462
ARG A 484
ASN A 442
VAL A 198
 None
 0.92A 2y05A-3fotA:
undetectable
2y05B-3fotA:
undetectable		 2y05A-3fotA:
20.97
2y05B-3fotA:
20.97
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.
3fpc NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Entamoeba
histolytica;
Thermoanaerobacter
brockii) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 VAL A 178
ASN A 264
GLY A 263
VAL A 172
ASP A 261
 None
 1.41A 2y05A-3fpcA:
25.2
2y05B-3fpcA:
25.2		 2y05A-3fpcA:
26.81
2y05B-3fpcA:
26.81
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.
3gr3 NITROREDUCTASE

(Bartonella
henselae) 		PF00881
(Nitroreductase) 		4 TYR A 201
ARG A 202
GLY A 129
VAL A 132
 None
 0.96A 2y05A-3gr3A:
undetectable
2y05B-3gr3A:
undetectable		 2y05A-3gr3A:
19.39
2y05B-3gr3A:
19.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3htv D-ALLOSE KINASE

(Escherichia
coli) 		PF00480
(ROK) 		4 VAL A 125
ASN A 287
GLY A 288
ASP A 115
 None
 0.95A 2y05A-3htvA:
undetectable
2y05B-3htvA:
undetectable		 2y05A-3htvA:
22.70
2y05B-3htvA:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i0w 8-OXOGUANINE-DNA-GLY
COSYLASE

(Clostridium
acetobutylicum) 		PF00730
(HhH-GPD)
PF07934
(OGG_N) 		4 ARG A  83
ASN A  20
GLY A 107
VAL A 102
 None
 0.95A 2y05A-3i0wA:
undetectable
2y05B-3i0wA:
undetectable		 2y05A-3i0wA:
21.04
2y05B-3i0wA:
21.04
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.
3i3l ALKYLHALIDASE CMLS

(Streptomyces
venezuelae) 		PF04820
(Trp_halogenase) 		4 TYR A 358
ARG A 375
GLY A  79
ASP A  81
 None
 0.71A 2y05A-3i3lA:
3.6
2y05B-3i3lA:
3.7		 2y05A-3i3lA:
19.97
2y05B-3i3lA:
19.97
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.
3is5 CALCIUM-DEPENDENT
PROTEIN KINASE

(Toxoplasma
gondii) 		PF00069
(Pkinase) 		4 VAL A 308
GLY A 283
VAL A 257
ASP A 281
 None
None
None
MG  A 399 ( 3.0A)
 0.83A 2y05A-3is5A:
undetectable
2y05B-3is5A:
undetectable		 2y05A-3is5A:
20.66
2y05B-3is5A:
20.66
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.
3jux PROTEIN TRANSLOCASE
SUBUNIT SECA

(Thermotoga
maritima) 		PF00271
(Helicase_C)
PF01043
(SecA_PP_bind)
PF07516
(SecA_SW)
PF07517
(SecA_DEAD) 		4 TYR A 409
ARG A 407
GLY A 414
VAL A 122
 None
 0.73A 2y05A-3juxA:
2.2
2y05B-3juxA:
undetectable		 2y05A-3juxA:
18.97
2y05B-3juxA:
18.97
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.
3l6a EUKARYOTIC
TRANSLATION
INITIATION FACTOR 4
GAMMA 2

(Homo sapiens) 		PF02020
(W2)
PF02847
(MA3) 		4 VAL A 291
TYR A 295
ASN A 233
GLY A 230
 None
 0.87A 2y05A-3l6aA:
undetectable
2y05B-3l6aA:
undetectable		 2y05A-3l6aA:
21.75
2y05B-3l6aA:
21.75
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.
3n9u CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
SUBUNIT 7

(Homo sapiens) 		PF00076
(RRM_1) 		4 VAL C 101
ASN C 151
GLY C 152
VAL C 155
 None
 0.82A 2y05A-3n9uC:
undetectable
2y05B-3n9uC:
undetectable		 2y05A-3n9uC:
18.99
2y05B-3n9uC:
18.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nqn UNCHARACTERIZED
PROTEIN

(Deinococcus
radiodurans) 		PF12723
(DUF3809) 		4 VAL A 142
GLY A  49
VAL A  92
ASP A  41
 None
 0.93A 2y05A-3nqnA:
undetectable
2y05B-3nqnA:
undetectable		 2y05A-3nqnA:
20.91
2y05B-3nqnA:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nvq SEMAPHORIN-7A

(Homo sapiens) 		PF01403
(Sema)
PF01437
(PSI)
PF13895
(Ig_2) 		4 VAL A 160
ASN A 128
GLY A  93
VAL A  95
 None
 0.77A 2y05A-3nvqA:
undetectable
2y05B-3nvqA:
undetectable		 2y05A-3nvqA:
19.42
2y05B-3nvqA:
19.42
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.
3nyi FAT ACID-BINDING
PROTEIN

(Eubacterium
ventriosum) 		PF02645
(DegV) 		4 VAL A 165
ARG A 210
GLY A 205
VAL A 180
 None
 0.93A 2y05A-3nyiA:
undetectable
2y05B-3nyiA:
undetectable		 2y05A-3nyiA:
22.38
2y05B-3nyiA:
22.38
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.
3pfn NAD KINASE

(Homo sapiens) 		PF01513
(NAD_kinase) 		4 VAL A 242
TYR A 280
GLY A 384
VAL A 380
 None
 0.96A 2y05A-3pfnA:
undetectable
2y05B-3pfnA:
4.0		 2y05A-3pfnA:
23.12
2y05B-3pfnA:
23.12
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.
3pg8 PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE

(Thermotoga
maritima) 		PF00793
(DAHP_synth_1) 		4 ARG A 276
ASN A 248
GLY A 238
ASP A 251
 None
 0.93A 2y05A-3pg8A:
undetectable
2y05B-3pg8A:
undetectable		 2y05A-3pg8A:
24.42
2y05B-3pg8A:
24.42
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.
3pv2 DEGQ

(Legionella
fallonii) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		4 VAL A  70
GLY A 131
VAL A 198
ASP A 132
 None
 0.91A 2y05A-3pv2A:
undetectable
2y05B-3pv2A:
undetectable		 2y05A-3pv2A:
22.93
2y05B-3pv2A:
22.93
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.
3pv4 DEGQ

(Legionella
fallonii) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		4 VAL A  70
GLY A 131
VAL A 198
ASP A 132
 None
 0.93A 2y05A-3pv4A:
undetectable
2y05B-3pv4A:
undetectable		 2y05A-3pv4A:
21.47
2y05B-3pv4A:
21.47
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.
3pve AGRIN, AGRIN PROTEIN

(Mus musculus) 		PF00054
(Laminin_G_1) 		4 TYR A1500
GLY A1604
VAL A1601
ASP A1606
 None
 0.94A 2y05A-3pveA:
undetectable
2y05B-3pveA:
undetectable		 2y05A-3pveA:
21.94
2y05B-3pveA:
21.94
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.
3qde CELLOBIOSE
PHOSPHORYLASE

(Ruminiclostridium
thermocellum) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		4 VAL A 225
ASN A 217
GLY A 218
VAL A  88
 None
 0.95A 2y05A-3qdeA:
undetectable
2y05B-3qdeA:
undetectable		 2y05A-3qdeA:
17.30
2y05B-3qdeA:
17.30
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.
3qgk FUSION OF UREASE
BETA AND GAMMA
SUBUNITS
UREASE SUBUNIT BETA
2

(Helicobacter
mustelae) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		4 ASN A  76
GLY A  73
VAL A  70
ASP C  24
 None
 0.87A 2y05A-3qgkA:
undetectable
2y05B-3qgkA:
undetectable		 2y05A-3qgkA:
24.14
2y05B-3qgkA:
24.14
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.
3qxm GLUTAMATE RECEPTOR
IONOTROPIC, KAINATE
2

(Homo sapiens) 		PF10613
(Lig_chan-Glu_bd) 		4 VAL A 452
ARG A 450
GLY A 736
ASP A 497
 None
 0.78A 2y05A-3qxmA:
undetectable
2y05B-3qxmA:
undetectable		 2y05A-3qxmA:
20.63
2y05B-3qxmA:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r7k PROBABLE ACYL COA
DEHYDROGENASE

(Mycobacteroides
abscessus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 VAL A 239
ASN A 172
GLY A 173
VAL A 191
 None
 0.86A 2y05A-3r7kA:
undetectable
2y05B-3r7kA:
undetectable		 2y05A-3r7kA:
23.65
2y05B-3r7kA:
23.65
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.
3rv2 S-ADENOSYLMETHIONINE
SYNTHASE

(Mycobacterium
marinum) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		4 VAL A  48
GLY A  92
VAL A  74
ASP A  84
 None
 0.95A 2y05A-3rv2A:
undetectable
2y05B-3rv2A:
undetectable		 2y05A-3rv2A:
22.84
2y05B-3rv2A:
22.84
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.
3s5n 4-HYDROXY-2-OXOGLUTA
RATE ALDOLASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00701
(DHDPS) 		4 VAL A 239
TYR A  39
GLY A 109
VAL A 166
 None
 0.84A 2y05A-3s5nA:
undetectable
2y05B-3s5nA:
2.6		 2y05A-3s5nA:
22.48
2y05B-3s5nA:
22.48
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.
3ufi HYPOTHETICAL PROTEIN
BACOVA_04980

(Bacteroides
ovatus) 		PF13149
(Mfa_like_1) 		4 VAL A  69
TYR A  91
GLY A  42
VAL A 174
 None
 0.90A 2y05A-3ufiA:
undetectable
2y05B-3ufiA:
undetectable		 2y05A-3ufiA:
24.10
2y05B-3ufiA:
24.10
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.
3ug7 ARSENICAL
PUMP-DRIVING ATPASE

(Methanocaldococcus
jannaschii) 		PF02374
(ArsA_ATPase) 		4 VAL A  58
TYR A  90
GLY A  77
ASP A  95
 None
 0.96A 2y05A-3ug7A:
undetectable
2y05B-3ug7A:
undetectable		 2y05A-3ug7A:
22.11
2y05B-3ug7A:
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.
3uto TWITCHIN

(Caenorhabditis
elegans) 		PF00041
(fn3)
PF00069
(Pkinase)
PF07679
(I-set) 		4 VAL A 565
TYR A 550
GLY A 536
ASP A 534
 None
None
PEG  A 572 ( 4.4A)
None
 0.93A 2y05A-3utoA:
undetectable
2y05B-3utoA:
undetectable		 2y05A-3utoA:
20.04
2y05B-3utoA:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uw0 PECTINESTERASE

(Yersinia
enterocolitica) 		PF01095
(Pectinesterase) 		4 VAL A 170
ARG A  85
GLY A  91
VAL A 114
 None
 0.89A 2y05A-3uw0A:
undetectable
2y05B-3uw0A:
undetectable		 2y05A-3uw0A:
22.65
2y05B-3uw0A:
22.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w6o DYNAMIN-1-LIKE
PROTEIN

(Homo sapiens) 		PF00350
(Dynamin_N)
PF01031
(Dynamin_M) 		4 TYR A 273
ASN A 280
GLY A 281
VAL A 245
 None
None
None
GCP  A 801 (-4.0A)
 0.93A 2y05A-3w6oA:
undetectable
2y05B-3w6oA:
undetectable		 2y05A-3w6oA:
22.82
2y05B-3w6oA:
22.82
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.
4axk 1-(5-PHOSPHORIBOSYL)
-5-((5'-PHOSPHORIBOS
YLAMINO)
METHYLIDENEAMINO)IMI
DAZOLE-4-CARBOXAMIDE
ISOMERASE

(Corynebacterium
efficiens) 		PF00977
(His_biosynth) 		4 ARG A 232
GLY A 200
VAL A 222
ASP A 170
 None
 0.95A 2y05A-4axkA:
undetectable
2y05B-4axkA:
undetectable		 2y05A-4axkA:
23.95
2y05B-4axkA:
23.95
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.
4b7g CATALASE

(Corynebacterium
glutamicum) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 TYR A 511
GLY A 504
VAL A 492
ASP A 500
 None
 0.94A 2y05A-4b7gA:
undetectable
2y05B-4b7gA:
undetectable		 2y05A-4b7gA:
20.87
2y05B-4b7gA:
20.87
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.
4bej DYNAMIN 1-LIKE
PROTEIN

(Homo sapiens) 		PF00350
(Dynamin_N)
PF01031
(Dynamin_M)
PF02212
(GED) 		4 TYR A 273
ASN A 280
GLY A 281
VAL A 245
 None
 0.91A 2y05A-4bejA:
undetectable
2y05B-4bejA:
undetectable		 2y05A-4bejA:
20.20
2y05B-4bejA:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cgs POLYMERASE SUBUNIT
PA

(Dhori
thogotovirus) 		no annotation 4 VAL A 120
ARG A 121
GLY A 126
VAL A 144
 None
 0.83A 2y05A-4cgsA:
undetectable
2y05B-4cgsA:
undetectable		 2y05A-4cgsA:
21.23
2y05B-4cgsA:
21.23
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.
4fla REGULATION OF
NUCLEAR PRE-MRNA
DOMAIN-CONTAINING
PROTEIN 1B

(Homo sapiens) 		PF16566
(CREPT) 		4 VAL A 197
ARG A 198
ASN A 241
GLY A 242
 None
 0.80A 2y05A-4flaA:
undetectable
2y05B-4flaA:
undetectable		 2y05A-4flaA:
18.62
2y05B-4flaA:
18.62
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.
4hpn PUTATIVE
UNCHARACTERIZED
PROTEIN

(Agrobacterium
fabrum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ARG A   7
GLY A 100
VAL A 302
ASP A 102
 None
 0.95A 2y05A-4hpnA:
undetectable
2y05B-4hpnA:
undetectable		 2y05A-4hpnA:
21.77
2y05B-4hpnA:
21.77
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.
4iu2 CELL-WALL ANCHORING
PROTEIN
CELLULOSE-BINDING
PROTEIN

(Ruminococcus
flavefaciens) 		PF00963
(Cohesin)
no annotation 		4 VAL A 130
ASN A 106
VAL A 113
ASP B 219
 None
 0.93A 2y05A-4iu2A:
undetectable
2y05B-4iu2A:
undetectable		 2y05A-4iu2A:
22.12
2y05B-4iu2A:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j0m SERINE/THREONINE-PRO
TEIN KINASE
BRI1-LIKE 1

(Arabidopsis
thaliana) 		PF08263
(LRRNT_2)
PF13516
(LRR_6)
PF13855
(LRR_8) 		4 VAL A 738
TYR A 741
ASN A 744
GLY A 746
 None
 0.88A 2y05A-4j0mA:
undetectable
2y05B-4j0mA:
undetectable		 2y05A-4j0mA:
19.85
2y05B-4j0mA:
19.85
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.
4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4

(Homo sapiens) 		PF00254
(FKBP_C) 		4 ARG A 157
GLY A 139
VAL A  53
ASP A 141
 DMS  A 302 (-4.0A)
None
None
None
 0.80A 2y05A-4lawA:
undetectable
2y05B-4lawA:
undetectable		 2y05A-4lawA:
21.62
2y05B-4lawA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lik DNA PRIMASE SMALL
SUBUNIT

(Homo sapiens) 		PF01896
(DNA_primase_S) 		4 VAL A 118
TYR A 115
GLY A 195
VAL A 192
 None
 0.84A 2y05A-4likA:
undetectable
2y05B-4likA:
undetectable		 2y05A-4likA:
20.34
2y05B-4likA:
20.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mm0 P450-LIKE
MONOOXYGENASE

(Streptomyces
griseoviridis) 		PF00067
(p450) 		4 VAL A  56
ARG A 286
GLY A  44
VAL A  33
 None
HEM  A 401 (-2.9A)
None
None
 0.94A 2y05A-4mm0A:
undetectable
2y05B-4mm0A:
undetectable		 2y05A-4mm0A:
24.07
2y05B-4mm0A:
24.07
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.
4mnd CTP
L-MYO-INOSITOL-1-PHO
SPHATE
CYTIDYLYLTRANSFERASE
/CDP-L-MYO-INOSITOL
MYO-INOSITOLPHOSPHOT
RANSFERASE

(Archaeoglobus
fulgidus) 		PF01066
(CDP-OH_P_transf)
PF12804
(NTP_transf_3) 		4 VAL A  76
ASN A 150
GLY A 151
VAL A 156
 None
 0.93A 2y05A-4mndA:
2.6
2y05B-4mndA:
2.8		 2y05A-4mndA:
21.44
2y05B-4mndA:
21.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pcs ALPHA-L-FUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01120
(Alpha_L_fucos) 		4 VAL A 181
ASN A 239
GLY A 240
ASP A 266
 None
 0.83A 2y05A-4pcsA:
undetectable
2y05B-4pcsA:
undetectable		 2y05A-4pcsA:
21.35
2y05B-4pcsA:
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.
4qnl TAIL FIBER PROTEIN

(Escherichia
virus G7C) 		no annotation 4 TYR A 304
ASN A 364
GLY A 360
ASP A 358
 None
 0.73A 2y05A-4qnlA:
2.0
2y05B-4qnlA:
undetectable		 2y05A-4qnlA:
16.12
2y05B-4qnlA:
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.
4tn0 UPF0141 PROTEIN YJDB

(Campylobacter
jejuni) 		PF00884
(Sulfatase) 		4 VAL A 351
ASN A 308
GLY A 311
VAL A 315
 None
 0.95A 2y05A-4tn0A:
undetectable
2y05B-4tn0A:
undetectable		 2y05A-4tn0A:
22.53
2y05B-4tn0A:
22.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE

(Mycobacterium
tuberculosis) 		PF00202
(Aminotran_3) 		4 VAL A 376
GLY A 227
VAL A 223
ASP A 169
 None
 0.89A 2y05A-4w1wA:
2.2
2y05B-4w1wA:
2.2		 2y05A-4w1wA:
21.51
2y05B-4w1wA:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x28 ACYL-COA
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 VAL A 224
ASN A 155
GLY A 156
VAL A 174
 None
 0.90A 2y05A-4x28A:
undetectable
2y05B-4x28A:
undetectable		 2y05A-4x28A:
21.12
2y05B-4x28A:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y61 RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE DELTA
SLIT AND NTRK-LIKE
PROTEIN 2

(Mus musculus) 		PF00041
(fn3)
PF07679
(I-set)
PF13855
(LRR_8)
PF13927
(Ig_3) 		4 VAL B  89
ASN A 229
GLY A 210
ASP A 208
 None
 0.85A 2y05A-4y61B:
undetectable
2y05B-4y61B:
undetectable		 2y05A-4y61B:
21.81
2y05B-4y61B:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yo1 DEGQ

(Legionella
pneumophila) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		4 VAL A  67
GLY A 128
VAL A 195
ASP A 129
 None
 0.87A 2y05A-4yo1A:
undetectable
2y05B-4yo1A:
undetectable		 2y05A-4yo1A:
23.38
2y05B-4yo1A:
23.38