SIMILAR PATTERNS OF AMINO ACIDS FOR 5YNI_A_SAMA401

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.
1eiz FTSJ

(Escherichia
coli) 		PF01728
(FtsJ) 		7 GLY A  59
GLY A  64
ASP A  83
LEU A  84
ASP A  99
ASP A 124
MET A 125
 SAM  A 301 (-3.6A)
SAM  A 301 (-3.1A)
SAM  A 301 (-2.8A)
SAM  A 301 (-4.2A)
SAM  A 301 (-3.5A)
SAM  A 301 (-3.6A)
SAM  A 301 (-4.3A)
 0.90A 5yniA-1eizA:
14.7		 5yniA-1eizA:
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.
1gcy GLUCAN
1,4-ALPHA-MALTOTETRA
HYDROLASE

(Pseudomonas
stutzeri) 		PF00128
(Alpha-amylase)
PF09081
(DUF1921) 		5 GLY A 153
PRO A 143
GLY A 144
ASP A 151
ASN A 164
 CA  A 528 ( 4.5A)
None
None
CA  A 528 (-2.3A)
None
 1.35A 5yniA-1gcyA:
undetectable		 5yniA-1gcyA:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gl9 REVERSE GYRASE

(Archaeoglobus
fulgidus) 		PF00270
(DEAD)
PF01131
(Topoisom_bac)
PF01751
(Toprim) 		5 GLY B 636
GLY B 554
LEU B 680
ASP B 677
ASP B 631
 None
 1.33A 5yniA-1gl9B:
undetectable		 5yniA-1gl9B:
14.30
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.
1jed SULFATE
ADENYLYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		5 GLY A 306
PRO A 295
GLY A 296
ASP A 309
ASP A 303
 NA  A 522 ( 4.3A)
None
None
NA  A 522 (-2.4A)
CA  A 519 (-2.5A)
 1.31A 5yniA-1jedA:
undetectable		 5yniA-1jedA:
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.
1lwu FIBRINOGEN BETA
CHAIN

(Petromyzon
marinus) 		PF00147
(Fibrinogen_C)
PF08702
(Fib_alpha) 		5 TYR B 442
GLY B 434
ASN B 433
ASN B 282
ASP B 453
 None
 1.26A 5yniA-1lwuB:
undetectable		 5yniA-1lwuB:
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.
1mda METHYLAMINE
DEHYDROGENASE (HEAVY
SUBUNIT)

(Paracoccus
denitrificans) 		PF06433
(Me-amine-dh_H) 		5 GLY H 236
PRO H 222
LEU H 234
ASP H 237
MET H 245
 None
 1.28A 5yniA-1mdaH:
undetectable		 5yniA-1mdaH:
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.
1rcq CATABOLIC ALANINE
RACEMASE DADX

(Pseudomonas
aeruginosa) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 TYR A  17
GLY A  54
PRO A 209
ASP A  94
ASP A  53
 None
 1.27A 5yniA-1rcqA:
undetectable		 5yniA-1rcqA:
20.16
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.
1xng NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Helicobacter
pylori) 		PF02540
(NAD_synthase) 		5 GLY A  35
ASP A 148
LEU A 149
CYH A 151
ASP A  37
 ATP  A 303 (-3.2A)
DND  A 301 (-3.2A)
None
None
ATP  A 303 (-3.9A)
 1.18A 5yniA-1xngA:
undetectable		 5yniA-1xngA:
23.56
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.
1xzw PURPLE ACID
PHOSPHATASE

(Ipomoea batatas) 		PF00149
(Metallophos)
PF14008
(Metallophos_C)
PF16656
(Pur_ac_phosph_N) 		5 TYR A 166
GLY A 133
GLY A 136
LEU A 131
ASP A 134
 FE  A 429 ( 4.3A)
None
None
None
FE  A 429 ( 3.4A)
 1.34A 5yniA-1xzwA:
undetectable		 5yniA-1xzwA:
21.49
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.
1z34 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Trichomonas
vaginalis) 		PF01048
(PNP_UDP_1) 		5 GLY A  47
PRO A  36
GLY A  50
ASN A  40
MET A  60
 None
 1.21A 5yniA-1z34A:
undetectable		 5yniA-1z34A:
24.92
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.
1zch HYPOTHETICAL
OXIDOREDUCTASE YCND

(Bacillus
subtilis) 		PF00881
(Nitroreductase) 		5 TYR A 233
GLY A 136
PRO A 142
GLY A 140
LEU A 161
 None
FMN  A 301 (-3.5A)
None
None
None
 1.14A 5yniA-1zchA:
undetectable		 5yniA-1zchA:
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.
2d42 NON-TOXIC CRYSTAL
PROTEIN

(Bacillus
thuringiensis) 		PF03318
(ETX_MTX2) 		5 GLY A  93
PRO A 210
GLY A 211
ASN A   5
ASP A  92
 None
 1.28A 5yniA-2d42A:
undetectable		 5yniA-2d42A:
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.
2dvz PUTATIVE EXPORTED
PROTEIN

(Bordetella
pertussis) 		PF03401
(TctC) 		5 TYR A 175
GLY A 188
GLY A 147
ASN A 122
ASP A 184
 None
 1.34A 5yniA-2dvzA:
undetectable		 5yniA-2dvzA:
23.69
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.
2f6d GLUCOAMYLASE GLU1

(Saccharomycopsis
fibuligera) 		PF00723
(Glyco_hydro_15) 		5 GLY A 132
PRO A  49
GLY A  50
ASN A 129
ASP A 131
 None
 1.18A 5yniA-2f6dA:
undetectable		 5yniA-2f6dA:
22.04
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.
2fcr FLAVODOXIN

(Chondrus
crispus) 		PF00258
(Flavodoxin_1) 		5 PRO A 146
GLY A 144
ASP A 104
ASN A 101
ASP A  61
 None
 1.24A 5yniA-2fcrA:
undetectable		 5yniA-2fcrA:
18.75
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.
2g7l TETR-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		5 GLY A 148
PRO A 141
GLY A 142
LEU A 217
ASP A 155
 None
 1.11A 5yniA-2g7lA:
undetectable		 5yniA-2g7lA:
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.
2gah HETEROTETRAMERIC
SARCOSINE OXIDASE
ALPHA-SUBUNIT
HETEROTETRAMERIC
SARCOSINE OXIDASE
GAMMA-SUBUNIT

(Stenotrophomonas
maltophilia;
Stenotrophomonas
maltophilia) 		PF01571
(GCV_T)
PF07992
(Pyr_redox_2)
PF08669
(GCV_T_C)
PF13510
(Fer2_4)
PF04268
(SoxG) 		5 TYR A 121
PRO A 230
GLY A 231
LEU C  34
ASP C 191
 None
 1.07A 5yniA-2gahA:
undetectable		 5yniA-2gahA:
15.75
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.
2hlp MALATE DEHYDROGENASE

(Haloarcula
marismortui) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A  61
LEU A  42
ASN A  39
ASP A  73
ASP A  65
 None
 1.33A 5yniA-2hlpA:
4.0		 5yniA-2hlpA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jir PERIPLASMIC NITRATE
REDUCTASE

(Desulfovibrio
desulfuricans) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 TYR A 478
GLY A 356
ASN A 121
LEU A 363
ASP A 355
 None
 1.20A 5yniA-2jirA:
2.7		 5yniA-2jirA:
18.37
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.
2nyu PUTATIVE RIBOSOMAL
RNA
METHYLTRANSFERASE 2

(Homo sapiens) 		PF01728
(FtsJ) 		6 GLY A  30
ASP A  62
LEU A  63
ASP A  79
ASP A 104
MET A 105
 SAM  A 201 (-3.5A)
SAM  A 201 (-2.8A)
SAM  A 201 (-4.2A)
SAM  A 201 (-3.3A)
SAM  A 201 (-3.7A)
SAM  A 201 (-3.9A)
 0.29A 5yniA-2nyuA:
12.6		 5yniA-2nyuA:
22.58
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.
2odo ALANINE RACEMASE

(Pseudomonas
fluorescens) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 TYR A  17
GLY A  54
PRO A 209
ASP A  94
ASP A  53
 None
 1.25A 5yniA-2odoA:
undetectable		 5yniA-2odoA:
22.78
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.
2oxt NUCLEOSIDE-2'-O-METH
YLTRANSFERASE

(Meaban virus) 		PF01728
(FtsJ) 		5 GLY A  82
GLY A  87
LEU A 106
ASP A 132
ASP A 147
 SAM  A 300 (-3.3A)
SAM  A 300 (-3.2A)
SAM  A 300 (-4.2A)
SAM  A 300 (-3.9A)
SAM  A 300 (-3.9A)
 1.08A 5yniA-2oxtA:
11.1		 5yniA-2oxtA:
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.
2p1z PHOSPHORIBOSYLTRANSF
ERASE

(Corynebacterium
diphtheriae) 		PF00156
(Pribosyltran) 		5 GLY A  70
GLY A  65
ASP A 119
ASP A  34
ASP A  72
 None
 1.35A 5yniA-2p1zA:
undetectable		 5yniA-2p1zA:
17.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pfk 6-PHOSPHOFRUCTOKINAS
E ISOZYME I

(Escherichia
coli) 		PF00365
(PFK) 		5 GLY A  15
PRO A 123
GLY A 124
ASN A  17
ASP A 260
 None
 1.35A 5yniA-2pfkA:
undetectable		 5yniA-2pfkA:
21.61
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.
2qez ETHANOLAMINE
AMMONIA-LYASE HEAVY
CHAIN

(Listeria
monocytogenes) 		PF06751
(EutB) 		5 TYR A 312
GLY A 345
GLY A 352
ASN A 131
ASP A 348
 None
 1.09A 5yniA-2qezA:
undetectable		 5yniA-2qezA:
21.95
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.
2rb9 HYPE PROTEIN

(Escherichia
coli) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 GLY A  79
GLY A 149
ASP A 199
CYH A 200
ASP A  58
 None
 0.99A 5yniA-2rb9A:
undetectable		 5yniA-2rb9A:
21.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF06460
(NSP13) 		11 TYR A  47
GLY A  71
PRO A  80
GLY A  81
ASP A  99
LEU A 100
ASN A 101
ASP A 114
CYH A 115
ASP A 130
MET A 131
 SAH  A1293 (-4.8A)
SAH  A1293 (-3.8A)
SAH  A1293 (-3.8A)
SAH  A1293 (-3.6A)
SAH  A1293 (-2.7A)
SAH  A1293 (-4.3A)
SAH  A1293 ( 4.7A)
SAH  A1293 (-3.7A)
SAH  A1293 (-3.7A)
SAH  A1293 (-3.7A)
SAH  A1293 (-3.8A)
 0.35A 5yniA-2xyqA:
45.5		 5yniA-2xyqA:
64.19
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.
2yok EXOGLUCANASE 1

(Trichoderma
harzianum) 		PF00840
(Glyco_hydro_7) 		5 GLY A 408
PRO A 289
GLY A 288
ASP A 391
LEU A 388
 None
 1.32A 5yniA-2yokA:
undetectable		 5yniA-2yokA:
20.67
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.
2z1k (NEO)PULLULANASE

(Thermus
thermophilus) 		PF00128
(Alpha-amylase) 		5 GLY A  46
PRO A  91
GLY A  94
ASP A  15
ASN A  78
 None
 1.12A 5yniA-2z1kA:
undetectable		 5yniA-2z1kA:
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.
2z1k (NEO)PULLULANASE

(Thermus
thermophilus) 		PF00128
(Alpha-amylase) 		5 GLY A  47
PRO A  91
GLY A  94
ASP A  15
ASN A  78
 None
 1.04A 5yniA-2z1kA:
undetectable		 5yniA-2z1kA:
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.
3a28 L-2.3-BUTANEDIOL
DEHYDROGENASE

(Corynebacterium
glutamicum) 		no annotation 5 GLY C   9
GLY C  17
ASP C  33
LEU C  34
ASP C  61
 NAD  C4300 (-3.6A)
None
NAD  C4300 (-3.0A)
NAD  C4300 ( 4.4A)
NAD  C4300 (-3.7A)
 0.81A 5yniA-3a28C:
5.1		 5yniA-3a28C:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3any ETHANOLAMINE
AMMONIA-LYASE HEAVY
CHAIN

(Escherichia
coli) 		PF06751
(EutB) 		5 TYR A 312
GLY A 345
GLY A 352
ASN A 131
ASP A 348
 None
 1.07A 5yniA-3anyA:
undetectable		 5yniA-3anyA:
23.50
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.
3bma D-ALANYL-LIPOTEICHOI
C ACID SYNTHETASE

(Streptococcus
pneumoniae) 		PF04914
(DltD) 		5 GLY A 368
GLY A 384
ASN A 328
ASP A 333
ASP A 367
 None
 1.03A 5yniA-3bmaA:
undetectable		 5yniA-3bmaA:
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.
3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE

(Thermoanaerobacterium
thermosulfurigenes) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		5 GLY A  52
PRO A 111
GLY A 114
ASP A  23
ASP A  53
 None
None
None
None
CA  A 699 (-3.3A)
 1.35A 5yniA-3bmwA:
undetectable		 5yniA-3bmwA:
18.02
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.
3c6m SPERMINE SYNTHASE

(Homo sapiens) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A 198
GLY A 202
ASP A 255
CYH A 256
ASP A 276
 MTA  A 401 (-3.3A)
None
MTA  A 401 (-3.6A)
MTA  A 401 (-3.5A)
SPM  A 501 ( 3.2A)
 1.16A 5yniA-3c6mA:
8.5		 5yniA-3c6mA:
22.75
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.
3c6m SPERMINE SYNTHASE

(Homo sapiens) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A 198
GLY A 203
ASP A 255
CYH A 256
ASP A 276
 MTA  A 401 (-3.3A)
None
MTA  A 401 (-3.6A)
MTA  A 401 (-3.5A)
SPM  A 501 ( 3.2A)
 0.87A 5yniA-3c6mA:
8.5		 5yniA-3c6mA:
22.75
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.
3cbg O-METHYLTRANSFERASE

(Synechocystis
sp. PCC 6803) 		PF01596
(Methyltransf_3) 		5 GLY A  68
PRO A 120
GLY A 119
ASP A 169
ASP A  92
 SAH  A 301 (-3.7A)
SAH  A 301 (-4.5A)
None
MG  A 401 (-3.4A)
SAH  A 301 (-3.0A)
 1.32A 5yniA-3cbgA:
8.9		 5yniA-3cbgA:
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.
3cgg SAM-DEPENDENT
METHYLTRANSFERASE

(Corynebacterium
glutamicum) 		PF13649
(Methyltransf_25) 		5 GLY A  53
GLY A  60
ASP A  74
LEU A  75
ASP A  96
 NHE  A 195 (-3.2A)
None
NHE  A 195 (-3.6A)
NHE  A 195 (-3.7A)
NHE  A 195 (-4.3A)
 0.98A 5yniA-3cggA:
7.8		 5yniA-3cggA:
20.79
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.
3ddr HASR PROTEIN

(Serratia
marcescens) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 TYR A 705
GLY A 764
GLY A 767
ASN A 163
ASP A 765
 None
 1.31A 5yniA-3ddrA:
undetectable		 5yniA-3ddrA:
15.87
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.
3dou RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J

(Thermoplasma
volcanium) 		PF01728
(FtsJ) 		6 GLY A  46
GLY A  51
ASP A  67
LEU A  68
ASP A  83
ASP A 111
 SAM  A   1 (-3.5A)
SAM  A   1 (-3.2A)
SAM  A   1 (-2.7A)
SAM  A   1 (-4.2A)
SAM  A   1 (-3.6A)
SAM  A   1 (-3.7A)
 1.01A 5yniA-3douA:
12.9		 5yniA-3douA:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3evc RNA-DIRECTED RNA
POLYMERASE NS5

(Yellow fever
virus) 		PF01728
(FtsJ) 		5 GLY A  81
GLY A  86
LEU A 105
ASP A 131
ASP A 146
 SAH  A 901 (-3.4A)
SAH  A 901 (-3.1A)
SAH  A 901 (-4.0A)
SAH  A 901 (-3.7A)
SAH  A 901 (-3.8A)
 0.91A 5yniA-3evcA:
10.1		 5yniA-3evcA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g1u ADENOSYLHOMOCYSTEINA
SE

(Leishmania
major) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLY A 132
GLY A  49
ASN A 136
ASP A 133
ASP A 130
 None
None
None
None
ADN  A 438 (-4.1A)
 1.15A 5yniA-3g1uA:
2.9		 5yniA-3g1uA:
22.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gcz POLYPROTEIN

(Yokose virus) 		PF01728
(FtsJ) 		5 GLY A  81
GLY A  86
LEU A 105
ASP A 131
ASP A 146
 SAM  A4633 (-3.4A)
SAM  A4633 (-3.2A)
SAM  A4633 (-4.0A)
SAM  A4633 (-3.7A)
SAM  A4633 (-3.7A)
 0.90A 5yniA-3gczA:
11.0		 5yniA-3gczA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mgk INTRACELLULAR
PROTEASE/AMIDASE
RELATED ENZYME (THIJ
FAMILY)

(Clostridium
acetobutylicum) 		PF01965
(DJ-1_PfpI) 		5 TYR A 185
GLY A 159
ASN A 122
ASP A 161
MET A 162
 None
 1.35A 5yniA-3mgkA:
undetectable		 5yniA-3mgkA:
22.44
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.
3ooq AMIDOHYDROLASE

(Thermotoga
maritima) 		PF01979
(Amidohydro_1) 		5 GLY A  52
ASP A  25
ASN A  39
ASP A  42
ASP A  49
 None
 1.20A 5yniA-3ooqA:
undetectable		 5yniA-3ooqA:
22.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p4g ANTIFREEZE PROTEIN

(Marinomonas
primoryensis) 		no annotation 5 GLY A 118
GLY A  80
ASP A 122
ASN A 121
ASP A 160
 CA  A 404 (-4.1A)
CA  A 402 (-4.0A)
CA  A 404 ( 2.4A)
MG  A 324 ( 4.6A)
CA  A 406 ( 2.4A)
 1.25A 5yniA-3p4gA:
undetectable		 5yniA-3p4gA:
23.53
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.
3p4g ANTIFREEZE PROTEIN

(Marinomonas
primoryensis) 		no annotation 5 GLY A 215
GLY A 175
ASP A 219
ASN A 218
ASP A 259
 CA  A 409 (-4.1A)
CA  A 407 (-4.1A)
CA  A 409 ( 2.4A)
None
CA  A 411 ( 2.3A)
 1.29A 5yniA-3p4gA:
undetectable		 5yniA-3p4gA:
23.53
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.
3p52 NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Campylobacter
jejuni) 		PF02540
(NAD_synthase) 		5 GLY A  33
ASP A 146
LEU A 147
CYH A 149
ASP A  35
 None
 1.27A 5yniA-3p52A:
undetectable		 5yniA-3p52A:
24.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qde CELLOBIOSE
PHOSPHORYLASE

(Ruminiclostridium
thermocellum) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		5 GLY A 112
PRO A  83
GLY A 108
ASN A 136
ASP A 140
 None
 1.35A 5yniA-3qdeA:
undetectable		 5yniA-3qdeA:
15.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3r24 2'-O-METHYL
TRANSFERASE

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF06460
(NSP13) 		11 TYR A  47
GLY A  71
PRO A  80
GLY A  81
ASP A  99
LEU A 100
ASN A 101
ASP A 114
CYH A 115
ASP A 130
MET A 131
 SAM  A 302 (-4.5A)
SAM  A 302 (-3.7A)
SAM  A 302 (-3.8A)
SAM  A 302 (-3.4A)
SAM  A 302 (-2.6A)
SAM  A 302 (-4.4A)
SAM  A 302 (-4.0A)
SAM  A 302 (-3.4A)
SAM  A 302 (-3.7A)
SAM  A 302 (-3.6A)
SAM  A 302 (-3.7A)
 0.41A 5yniA-3r24A:
46.2		 5yniA-3r24A:
65.10
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.
3r3h O-METHYLTRANSFERASE,
SAM-DEPENDENT

(Legionella
pneumophila) 		PF01596
(Methyltransf_3) 		5 GLY A  68
PRO A 120
GLY A 119
ASP A 169
ASP A  92
 None
 1.30A 5yniA-3r3hA:
8.2		 5yniA-3r3hA:
22.61
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.
3tiq SURFACE PROTEIN G

(Staphylococcus
aureus) 		PF07501
(G5)
PF17041
(SasG_E) 		5 GLY A 505
PRO A 539
GLY A 527
ASP A 542
ASP A 508
 None
 1.08A 5yniA-3tiqA:
undetectable		 5yniA-3tiqA:
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.
3ty2 5'-NUCLEOTIDASE SURE

(Coxiella
burnetii) 		PF01975
(SurE) 		5 GLY A 136
ASN A 171
ASN A 102
ASP A 110
ASP A 174
 None
 1.13A 5yniA-3ty2A:
undetectable		 5yniA-3ty2A:
21.07
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.
3u0j TYPE III EFFECTOR
HOPU1

(Pseudomonas
syringae group
genomosp. 3) 		no annotation 5 PRO B 109
GLY B 107
LEU B  57
ASP B  61
ASP B  51
 None
 1.23A 5yniA-3u0jB:
undetectable		 5yniA-3u0jB:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vpi TYPE VI SECRETION
EXPORTED 1

(Pseudomonas
aeruginosa) 		no annotation 5 GLY A  90
GLY A  48
LEU A  84
ASN A 139
ASP A 134
 None
None
None
FMT  A 206 (-3.6A)
None
 1.12A 5yniA-3vpiA:
undetectable		 5yniA-3vpiA:
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.
3wy2 ALPHA-GLUCOSIDASE

(Halomonas sp.
H11) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		5 GLY A  30
PRO A 419
ASP A  31
LEU A  32
ASN A  33
 MG  A 600 ( 4.2A)
None
MG  A 600 (-3.1A)
None
None
 1.33A 5yniA-3wy2A:
undetectable		 5yniA-3wy2A:
18.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e69 2-DEHYDRO-3-DEOXYGLU
CONOKINASE

(Oceanicola
granulosus) 		PF00294
(PfkB) 		5 GLY A 255
GLY A 284
ASN A 259
ASP A 256
ASN A  32
 None
 1.23A 5yniA-4e69A:
3.6		 5yniA-4e69A:
20.72
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.
4egt MAJOR CAPSID PROTEIN
VP60

(Rabbit
hemorrhagic
disease virus) 		PF00915
(Calici_coat) 		5 GLY A 286
PRO A 447
GLY A 448
ASN A 275
ASP A 334
 None
 1.32A 5yniA-4egtA:
undetectable		 5yniA-4egtA:
23.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fzv PUTATIVE
METHYLTRANSFERASE
NSUN4

(Homo sapiens) 		PF01189
(Methyltr_RsmB-F) 		6 GLY A 186
ASN A 203
ASP A 204
LEU A 205
ASP A 237
ASP A 255
 SAM  A 401 (-3.9A)
SAM  A 401 ( 4.6A)
SAM  A 401 (-2.9A)
SAM  A 401 (-3.8A)
SAM  A 401 (-3.5A)
SAM  A 401 (-3.7A)
 0.91A 5yniA-4fzvA:
7.6		 5yniA-4fzvA:
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.
4gs1 DYP-TYPE PEROXIDASE

(Thermobifida
cellulosilytica) 		PF04261
(Dyp_perox) 		5 GLY A 370
GLY A 360
ASN A 356
ASP A 240
MET A 282
 None
None
None
OXY  A 502 (-2.9A)
None
 1.29A 5yniA-4gs1A:
undetectable		 5yniA-4gs1A:
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.
4ine PROTEIN PMT-2

(Caenorhabditis
elegans) 		PF08241
(Methyltransf_11) 		5 GLY A 232
GLY A 238
ASP A 254
LEU A 255
ASP A 281
 SAH  A 501 (-3.6A)
None
SAH  A 501 (-2.6A)
SAH  A 501 (-4.3A)
SAH  A 501 (-3.5A)
 0.75A 5yniA-4ineA:
8.4		 5yniA-4ineA:
23.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus) 		PF08241
(Methyltransf_11) 		5 GLY A 228
GLY A 234
ASP A 250
LEU A 251
ASP A 277
 SAH  A 701 (-3.5A)
None
SAH  A 701 (-2.7A)
SAH  A 701 (-4.4A)
SAH  A 701 (-3.4A)
 0.63A 5yniA-4kriA:
8.4		 5yniA-4kriA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4llf CAPSID PROTEIN

(Cucumber
necrosis virus) 		PF00729
(Viral_coat) 		5 TYR A 171
GLY A 232
ASN A 227
ASP A 222
ASP A 178
 None
 1.24A 5yniA-4llfA:
undetectable		 5yniA-4llfA:
21.96
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.
4lxf TREHALOSE SYNTHASE

(Mycobacterium
tuberculosis) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		5 GLY A 234
PRO A 273
GLY A 274
ASP A 136
ASP A 233
 None
 1.33A 5yniA-4lxfA:
undetectable		 5yniA-4lxfA:
18.59
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.
4n0n REPLICASE
POLYPROTEIN 1AB

(Equine
arteritis virus) 		PF01443
(Viral_helicase1) 		5 GLY A 263
GLY A 163
ASP A 264
LEU A 265
ASN A 266
 None
SO4  A 508 (-3.6A)
None
None
None
 1.01A 5yniA-4n0nA:
undetectable		 5yniA-4n0nA:
19.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n2c PROTEIN-ARGININE
DEIMINASE TYPE-2

(Homo sapiens) 		PF03068
(PAD)
PF08526
(PAD_N)
PF08527
(PAD_M) 		5 GLY A 254
GLY A 231
ASN A 154
LEU A 152
CYH A 155
 None
None
CA  A 702 (-3.1A)
None
None
 1.22A 5yniA-4n2cA:
undetectable		 5yniA-4n2cA:
18.47
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.
4nqy ISOPROPYLMALATE/CITR
AMALATE ISOMERASE
LARGE SUBUNIT

(Methanocaldococcus
jannaschii) 		PF00330
(Aconitase) 		5 GLY A 186
GLY A 222
ASP A 283
ASN A 281
ASP A 188
 None
 1.08A 5yniA-4nqyA:
undetectable		 5yniA-4nqyA:
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.
4o7z PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE

(Pyrococcus
horikoshii) 		PF01259
(SAICAR_synt) 		5 GLY A 179
GLY A 184
ASP A 190
ASP A  84
MET A  85
 None
 1.32A 5yniA-4o7zA:
undetectable		 5yniA-4o7zA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ose PUTATIVE HYDROLASE

(Rickettsia
typhi) 		PF00561
(Abhydrolase_1) 		5 GLY A 239
GLY A 177
ASP A 136
LEU A 245
MET A 240
 None
 1.14A 5yniA-4oseA:
undetectable		 5yniA-4oseA:
23.03
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.
4u28 PHOSPHORIBOSYL
ISOMERASE A

(Streptomyces
sviceus) 		PF00977
(His_biosynth) 		5 GLY A 176
PRO A 181
GLY A 180
ASP A 175
LEU A  24
 PO4  A 301 (-3.4A)
None
None
PO4  A 301 (-3.4A)
None
 1.21A 5yniA-4u28A:
undetectable		 5yniA-4u28A:
23.81
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.
4weo PUTATIVE
ACETOIN(DIACETYL)
REDUCTASE

(Burkholderia
cenocepacia) 		PF00106
(adh_short) 		5 GLY A  14
GLY A  22
ASP A  38
LEU A  39
ASP A  64
 None
 0.86A 5yniA-4weoA:
4.6		 5yniA-4weoA:
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.
4x2r 1-(5-PHOSPHORIBOSYL)
-5-[(5-PHOSPHORIBOSY
LAMINO)METHYLIDENEAM
INO]
IMIDAZOLE-4-CARBOXAM
IDE ISOMERASE

(Actinomyces
urogenitalis) 		PF00977
(His_biosynth) 		5 GLY A 170
PRO A 175
GLY A 174
ASP A 169
LEU A  18
 PO4  A 301 (-3.4A)
None
None
PO4  A 301 (-3.1A)
None
 1.15A 5yniA-4x2rA:
undetectable		 5yniA-4x2rA:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x33 DIPHTHAMIDE
BIOSYNTHESIS PROTEIN
3
PROTEIN ATS1

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF05207
(zf-CSL)
PF00415
(RCC1) 		5 GLY B  11
GLY B  18
ASN B  46
ASP A  29
ASP B  20
 None
DXE  B 406 (-4.5A)
None
None
DXE  B 406 (-4.1A)
 1.03A 5yniA-4x33B:
undetectable		 5yniA-4x33B:
23.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x9s PHOSPHORIBOSYL
ISOMERASE A

(Streptomyces
sp. Mg1) 		PF00977
(His_biosynth) 		5 GLY A 174
PRO A 179
GLY A 178
ASP A 173
LEU A  22
 SO4  A 303 (-3.5A)
None
None
SO4  A 303 (-3.5A)
None
 1.12A 5yniA-4x9sA:
undetectable		 5yniA-4x9sA:
23.55
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.
4xgn 3-HYDROXYACYL-COA
DEHYDROGENASE

(Burkholderia
thailandensis) 		PF00106
(adh_short) 		5 GLY A  12
GLY A  20
ASP A  36
LEU A  37
ASP A  57
 NAD  A 300 (-3.5A)
None
NAD  A 300 (-2.7A)
NAD  A 300 (-4.2A)
NAD  A 300 (-3.5A)
 0.68A 5yniA-4xgnA:
5.2		 5yniA-4xgnA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xgn 3-HYDROXYACYL-COA
DEHYDROGENASE

(Burkholderia
thailandensis) 		PF00106
(adh_short) 		5 GLY A  12
GLY A  20
ASP A  36
LEU A  37
CYH A  56
 NAD  A 300 (-3.5A)
None
NAD  A 300 (-2.7A)
NAD  A 300 (-4.2A)
None
 1.04A 5yniA-4xgnA:
5.2		 5yniA-4xgnA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yv2 SPERMIDINE SYNTHASE,
PUTATIVE

(Trypanosoma
cruzi) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A  95
GLY A 100
ASP A 118
ASP A 149
ASP A 168
 S4M  A 301 (-3.5A)
None
S4M  A 301 (-3.0A)
S4M  A 301 (-3.9A)
S4M  A 301 (-3.1A)
 0.64A 5yniA-4yv2A:
8.4		 5yniA-4yv2A:
23.30
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.
5a22 VESICULAR STOMATITIS
VIRUS L POLYMERASE

(Vesicular
stomatitis
virus) 		PF00946
(Mononeg_RNA_pol)
PF14314
(Methyltrans_Mon)
PF14318
(Mononeg_mRNAcap) 		5 GLY A1670
GLY A1675
ASN A1692
ASP A1735
ASP A1762
 None
 1.22A 5yniA-5a22A:
13.0		 5yniA-5a22A:
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.
5a22 VESICULAR STOMATITIS
VIRUS L POLYMERASE

(Vesicular
stomatitis
virus) 		PF00946
(Mononeg_RNA_pol)
PF14314
(Methyltrans_Mon)
PF14318
(Mononeg_mRNAcap) 		5 GLY A1670
GLY A1675
ASN A1692
ASP A1762
MET A1763
 None
 1.11A 5yniA-5a22A:
13.0		 5yniA-5a22A:
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.
5bmo PUTATIVE
UNCHARACTERIZED
PROTEIN LNMX

(Streptomyces
atroolivaceus) 		PF02585
(PIG-L) 		5 TYR A  96
PRO A  98
GLY A  97
ASN A 151
ASP A 144
 None
 1.28A 5yniA-5bmoA:
2.4		 5yniA-5bmoA:
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.
5dbl SURFACE PROTEIN G

(Staphylococcus
aureus) 		PF07501
(G5)
PF17041
(SasG_E) 		5 GLY A 505
PRO A 539
GLY A 527
ASP A 542
ASP A 508
 None
 1.31A 5yniA-5dblA:
undetectable		 5yniA-5dblA:
17.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5exe OXALATE
OXIDOREDUCTASE
SUBUNIT ALPHA
OXALATE
OXIDOREDUCTASE
SUBUNIT BETA

(Moorella
thermoacetica;
Moorella
thermoacetica) 		PF01855
(POR_N)
PF17147
(PFOR_II)
PF02775
(TPP_enzyme_C) 		5 TYR A  28
GLY C 112
LEU C 121
CYH C 135
ASP C 115
 5SR  C 402 (-4.9A)
5SR  C 402 (-4.0A)
None
None
None
 1.26A 5yniA-5exeA:
undetectable		 5yniA-5exeA:
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.
5gq0 EPITHIOSPECIFIER
PROTEIN

(Arabidopsis
thaliana) 		no annotation 5 GLY B 272
GLY B 302
ASP B 264
LEU B 265
ASN B 266
 None
 1.10A 5yniA-5gq0B:
undetectable		 5yniA-5gq0B:
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.
5jsb INDUCED MYELOID
LEUKEMIA CELL
DIFFERENTIATION
PROTEIN MCL-1
MCL-1 INHIBITOR

(Homo sapiens;
synthetic
construct) 		PF00452
(Bcl-2)
no annotation 		5 GLY A 219
ASN A 223
ASN B  61
ASP B  93
ASP A 218
 None
 1.21A 5yniA-5jsbA:
undetectable		 5yniA-5jsbA:
21.00
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.
5log PUTATIVE
O-METHYLTRANSFERASE

(Myxococcus
xanthus) 		PF01596
(Methyltransf_3) 		5 GLY A  67
ASP A  91
LEU A  92
ASP A 119
ASP A 142
 SAH  A1001 (-3.5A)
SAH  A1001 (-2.8A)
SAH  A1001 (-4.1A)
SAH  A1001 (-3.8A)
MG  A1002 (-2.5A)
 0.51A 5yniA-5logA:
8.9		 5yniA-5logA:
23.03
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.
5mwb NEUROGENIC LOCUS
NOTCH HOMOLOG
PROTEIN 2

(Homo sapiens) 		PF00008
(EGF)
PF07645
(EGF_CA) 		5 GLY A 507
PRO A 527
GLY A 526
ASN A 506
ASN A 501
 None
 1.33A 5yniA-5mwbA:
undetectable		 5yniA-5mwbA:
18.75
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.
5ofb MORC FAMILY CW-TYPE
ZINC FINGER PROTEIN
2

(Homo sapiens) 		no annotation 5 GLY B  70
PRO B 192
GLY B 193
ASP B  68
ASP B  42
 MG  B 704 (-3.8A)
None
None
ATP  B 702 (-3.4A)
None
 1.23A 5yniA-5ofbB:
undetectable		 5yniA-5ofbB:
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.
5ubu PUTATIVE
ACETAMIDASE/FORMAMID
ASE

(Yersinia
enterocolitica) 		PF03069
(FmdA_AmdA) 		5 GLY A 216
GLY A 189
ASN A  85
ASP A  56
ASP A 217
 None
None
None
None
NA  A 402 ( 2.3A)
 1.19A 5yniA-5ubuA:
undetectable		 5yniA-5ubuA:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5udb DNA REPLICATION
LICENSING FACTOR
MCM3

(Saccharomyces
cerevisiae) 		PF00493
(MCM)
PF17207
(MCM_OB) 		5 GLY 3 460
PRO 3 288
GLY 3 289
LEU 3 442
ASP 3 482
 None
 1.20A 5yniA-5udb3:
undetectable		 5yniA-5udb3:
15.99
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.
5uly -

(-) 		no annotation 5 GLY A 237
GLY A 241
ASP A 236
ASN A 291
ASP A 238
 CA  A1001 (-4.2A)
CA  A1002 ( 4.5A)
CA  A1001 (-3.1A)
None
CA  A1002 (-3.1A)
 1.29A 5yniA-5ulyA:
undetectable		 5yniA-5ulyA:
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.
5vfr PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		no annotation 5 GLY R  98
GLY R 129
ASP R 115
ASN R 119
MET R  97
 None
 1.30A 5yniA-5vfrR:
undetectable		 5yniA-5vfrR:
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.
5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Arabidopsis
thaliana) 		no annotation 6 GLY A 290
GLY A 296
ASP A 312
LEU A 313
ASP A 338
CYH A 339
 SAH  A 703 (-4.0A)
None
SAH  A 703 (-2.6A)
SAH  A 703 (-4.1A)
SAH  A 703 (-3.3A)
SAH  A 703 (-3.5A)
 0.79A 5yniA-5wp4A:
8.0		 5yniA-5wp4A:
20.16
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.
5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Arabidopsis
thaliana) 		no annotation 5 GLY A 295
ASP A 312
LEU A 313
ASP A 338
CYH A 339
 None
SAH  A 703 (-2.6A)
SAH  A 703 (-4.1A)
SAH  A 703 (-3.3A)
SAH  A 703 (-3.5A)
 0.99A 5yniA-5wp4A:
8.0		 5yniA-5wp4A:
20.16
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.
5wp5 PHOSPHOMETHYLETHANOL
AMINE
N-METHYLTRANSFERASE
2

(Arabidopsis
thaliana) 		no annotation 6 GLY A 290
GLY A 296
ASP A 312
LEU A 313
ASP A 338
CYH A 339
 SAH  A 501 (-3.8A)
None
SAH  A 501 (-2.8A)
SAH  A 501 (-3.9A)
SAH  A 501 (-3.4A)
SAH  A 501 (-3.5A)
 0.73A 5yniA-5wp5A:
7.8		 5yniA-5wp5A:
18.84
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.
5xkt UREASE ACCESSORY
PROTEIN UREG

(Klebsiella
pneumoniae) 		no annotation 5 GLY A 107
ASN A 151
ASP A 127
LEU A 155
ASP A 154
 GNP  A 301 ( 3.8A)
GNP  A 301 (-3.2A)
None
GNP  A 301 ( 4.5A)
GNP  A 301 (-2.9A)
 1.21A 5yniA-5xktA:
undetectable		 5yniA-5xktA:
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.
5ykb TREHALOSE SYNTHASE

(Deinococcus
radiodurans) 		no annotation 5 GLY A 205
PRO A 244
GLY A 245
ASP A 101
ASP A 204
 None
 1.34A 5yniA-5ykbA:
undetectable		 5yniA-5ykbA:
19.38
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.
5yy3 -

(-) 		no annotation 5 TYR A 183
GLY A 319
LEU A 337
ASN A 329
ASP A 322
 None
 1.06A 5yniA-5yy3A:
undetectable		 5yniA-5yy3A:
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.
5z06 BDI_3064 PROTEIN

(Parabacteroides
distasonis) 		no annotation 5 GLY A 682
GLY A 346
ASN A 684
LEU A 679
ASP A 609
 None
 1.22A 5yniA-5z06A:
undetectable		 5yniA-5z06A:
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.
6cv7 -

(-) 		no annotation 5 GLY A 237
GLY A 241
ASP A 236
ASN A 291
ASP A 238
 CA  A 404 (-4.2A)
CA  A 405 ( 4.5A)
CA  A 404 (-3.2A)
None
CA  A 405 (-3.3A)
 1.26A 5yniA-6cv7A:
undetectable		 5yniA-6cv7A:
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.
6fb3 TENEURIN-2

(Gallus gallus) 		no annotation 5 GLY A2237
GLY A2258
ASN A2492
LEU A2498
ASP A2236
 None
 1.34A 5yniA-6fb3A:
undetectable		 5yniA-6fb3A:
undetectable