SIMILAR PATTERNS OF AMINO ACIDS FOR 4U15_B_0HKB1201_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gq7 PROCLAVAMINATE
AMIDINO HYDROLASE

(Streptomyces
clavuligerus) 		PF00491
(Arginase) 		5 ASP A 120
TYR A  39
SER A 122
THR A  99
ASN A  94
 None
 1.45A 4u15B-1gq7A:
undetectable		 4u15B-1gq7A:
22.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j2q PROTEASOME ALPHA
SUBUNIT

(Archaeoglobus
fulgidus) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		5 ASP A 152
SER A 135
THR A 173
ALA A  37
TYR A 160
 None
 1.41A 4u15B-1j2qA:
undetectable		 4u15B-1j2qA:
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.
1j31 HYPOTHETICAL PROTEIN
PH0642

(Pyrococcus
horikoshii) 		PF00795
(CN_hydrolase) 		5 ASP A 148
SER A 154
ALA A 163
ALA A 159
TYR A 111
 None
 1.32A 4u15B-1j31A:
undetectable		 4u15B-1j31A:
21.40
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.
1ks8 ENDO-B-1,4-GLUCANASE

(Nasutitermes
takasagoensis) 		PF00759
(Glyco_hydro_9) 		5 ASP A 341
ALA A 424
ALA A 311
TYR A   5
TYR A   3
 None
 1.40A 4u15B-1ks8A:
undetectable		 4u15B-1ks8A:
20.58
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.
1m4x PBCV-1 VIRUS CAPSID

(Paramecium
bursaria
Chlorella virus
1) 		PF04451
(Capsid_NCLDV)
PF16903
(Capsid_N) 		5 THR A 238
THR A 412
ALA A 413
ASN A 415
TYR A 352
 None
 1.28A 4u15B-1m4xA:
undetectable		 4u15B-1m4xA:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m53 ISOMALTULOSE
SYNTHASE

(Klebsiella sp.
LX3) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		5 ASP A 525
TYR A 523
SER A 349
ALA A 401
TYR A 534
 None
 1.45A 4u15B-1m53A:
undetectable		 4u15B-1m53A:
21.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1obb ALPHA-GLUCOSIDASE

(Thermotoga
maritima) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		5 THR A  84
ALA A 152
ALA A 151
ASN A 153
TYR A 296
 NAD  A 500 (-4.7A)
NAD  A 500 (-3.5A)
None
MAL  A 900 ( 3.1A)
MAL  A 900 (-4.2A)
 1.13A 4u15B-1obbA:
undetectable		 4u15B-1obbA:
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.
1p2z HEXON PROTEIN

(Human
mastadenovirus
C) 		PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C) 		5 THR A 644
THR A 641
ALA A 642
ALA A 638
ASN A  90
 None
 1.45A 4u15B-1p2zA:
undetectable		 4u15B-1p2zA:
16.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q3x MANNAN-BINDING
LECTIN SERINE
PROTEASE 2

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin) 		5 SER A 628
THR A 466
THR A 467
ALA A 468
ALA A 469
 GOL  A 701 (-3.4A)
None
None
None
None
 1.49A 4u15B-1q3xA:
undetectable		 4u15B-1q3xA:
21.32
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.
1qlm METHENYLTETRAHYDROME
THANOPTERIN
CYCLOHYDROLASE

(Methanopyrus
kandleri) 		PF02289
(MCH) 		5 ASP A  71
THR A 235
THR A 209
ALA A 210
ALA A  77
 None
 1.33A 4u15B-1qlmA:
undetectable		 4u15B-1qlmA:
18.60
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.
1rrv GLYCOSYLTRANSFERASE
GTFD

(Amycolatopsis
orientalis) 		PF03033
(Glyco_transf_28) 		5 ASP A 141
THR A 108
ALA A 107
ALA A 106
TYR A 130
 ASP  A 141 (-0.6A)
THR  A 108 ( 0.8A)
ALA  A 107 ( 0.0A)
ALA  A 106 ( 0.0A)
TYR  A 130 ( 1.3A)
 1.39A 4u15B-1rrvA:
undetectable		 4u15B-1rrvA:
21.89
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.
1szq 2-METHYLCITRATE
DEHYDRATASE

(Escherichia
coli) 		PF03972
(MmgE_PrpD) 		5 THR A 229
ALA A 225
ALA A 224
TRP A  98
CYH A  57
 None
 1.31A 4u15B-1szqA:
undetectable		 4u15B-1szqA:
22.01
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.
1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Streptococcus
pneumoniae) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		5 TYR A  86
SER A  84
THR A 160
ALA A 124
ALA A 128
 None
 1.37A 4u15B-1xp4A:
undetectable		 4u15B-1xp4A:
23.04
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.
1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Streptococcus
pneumoniae) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		5 TYR A  86
SER A  84
THR A 160
THR A 159
ALA A 128
 None
 1.38A 4u15B-1xp4A:
undetectable		 4u15B-1xp4A:
23.04
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.
2bku IMPORTIN BETA-1
SUBUNIT

(Saccharomyces
cerevisiae) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		5 TYR B 830
THR B 844
THR B 847
ALA B 848
ALA B 851
 None
 1.47A 4u15B-2bkuB:
2.7		 4u15B-2bkuB:
18.90
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.
2gdz NAD+-DEPENDENT
15-HYDROXYPROSTAGLAN
DIN DEHYDROGENASE

(Homo sapiens) 		PF00106
(adh_short) 		5 SER A 123
THR A 162
ALA A 166
ALA A 168
ASN A 239
 None
 1.03A 4u15B-2gdzA:
undetectable		 4u15B-2gdzA:
20.00
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.
2h1n OLIGOENDOPEPTIDASE F

(Geobacillus
stearothermophilus) 		PF01432
(Peptidase_M3) 		5 ASP A 428
THR A 379
ALA A 382
ALA A 493
TYR A 228
 None
 1.41A 4u15B-2h1nA:
2.3		 4u15B-2h1nA:
20.37
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.
2hj0 PUTATIVE CITRATE
LYASE, ALFA SUBUNIT

(Streptococcus
mutans) 		PF04223
(CitF) 		5 ASP A 402
SER A 147
THR A 157
ALA A 156
ALA A 154
 None
 1.35A 4u15B-2hj0A:
undetectable		 4u15B-2hj0A:
21.93
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.
2ipi ACLACINOMYCIN
OXIDOREDUCTASE
(AKNOX)

(Streptomyces
galilaeus) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 SER A 376
THR A 342
THR A 408
ALA A 407
TYR A 450
 None
AKY  A 601 ( 4.7A)
AKY  A 601 (-2.8A)
None
AKY  A 601 (-4.4A)
 1.05A 4u15B-2ipiA:
undetectable		 4u15B-2ipiA:
21.56
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.
2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT

(Aromatoleum
aromaticum) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF13247
(Fer4_11) 		5 ASP B  24
THR A 288
THR A 289
ALA A 292
ALA B 278
 None
 1.48A 4u15B-2ivfB:
undetectable		 4u15B-2ivfB:
20.49
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.
2obe HEXON

(Human
mastadenovirus
E) 		PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C) 		5 THR A 609
THR A 606
ALA A 607
ALA A 603
ASN A  90
 None
None
None
2HP  A1602 (-4.3A)
None
 1.45A 4u15B-2obeA:
undetectable		 4u15B-2obeA:
17.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wda PUTATIVE SECRETED
LYASE

(Streptomyces
violaceoruber) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		5 ASP A 545
SER A 519
THR A 551
THR A 474
ALA A 443
 None
 1.31A 4u15B-2wdaA:
undetectable		 4u15B-2wdaA:
18.92
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.
3ahm OLIGOPEPTIDASE

(Geobacillus sp.
MO-1) 		no annotation 5 ASP A 428
THR A 379
ALA A 382
ALA A 493
TYR A 228
 None
 1.36A 4u15B-3ahmA:
undetectable		 4u15B-3ahmA:
20.71
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.
3by9 SENSOR PROTEIN

(Vibrio cholerae) 		PF02743
(dCache_1) 		5 TYR A 102
ALA A  99
ALA A  98
TYR A 157
TYR A 132
 None
None
None
SIN  A 287 (-4.5A)
SIN  A 287 (-4.4A)
 1.45A 4u15B-3by9A:
undetectable		 4u15B-3by9A:
20.33
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.
3c4q PREDICTED
GLYCOSYLTRANSFERASES

(Corynebacterium
glutamicum) 		PF00534
(Glycos_transf_1)
PF13439
(Glyco_transf_4) 		5 SER A 191
THR A  31
THR A 394
ALA A 395
TYR A 402
 None
 1.38A 4u15B-3c4qA:
undetectable		 4u15B-3c4qA:
23.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e13 PUTATIVE IRON-UPTAKE
ABC TRANSPORT
SYSTEM,PERIPLASMIC
IRON-BINDING PROTEIN

(Campylobacter
jejuni) 		PF13343
(SBP_bac_6) 		5 ASP X 182
TYR X 146
THR X  61
ALA X  40
TYR X  15
 None
FE  X 326 (-4.3A)
None
None
FE  X 326 (-4.3A)
 1.50A 4u15B-3e13X:
undetectable		 4u15B-3e13X:
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.
3fha ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE

(Glutamicibacter
protophormiae) 		PF03644
(Glyco_hydro_85) 		5 TYR A 299
ALA A  94
ALA A  60
ASN A 123
TYR A 205
 None
 1.36A 4u15B-3fhaA:
undetectable		 4u15B-3fhaA:
19.94
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.
3fo5 THIOESTERASE,
ADIPOSE ASSOCIATED,
ISOFORM BFIT2

(Homo sapiens) 		PF01852
(START) 		5 TYR A 546
THR A 527
THR A 551
ALA A 550
TRP A 404
 1PE  A   2 (-4.0A)
1PE  A   2 ( 3.8A)
1PE  A   2 (-4.5A)
GOL  A 595 (-4.3A)
None
 1.24A 4u15B-3fo5A:
undetectable		 4u15B-3fo5A:
19.71
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.
3h90 FERROUS-IRON EFFLUX
PUMP FIEF

(Escherichia
coli) 		PF01545
(Cation_efflux)
PF16916
(ZT_dimer) 		5 ASP A 157
TYR A 154
THR A  17
ALA A  18
ALA A  20
 ZN  A   4 (-2.2A)
None
None
None
None
 1.34A 4u15B-3h90A:
undetectable		 4u15B-3h90A:
21.88
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.
3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT ALPHA
CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA

(Moorella
thermoacetica) 		PF03063
(Prismane)
PF03598
(CdhC) 		5 ASP A 226
SER M  34
ALA M 102
ALA M 105
TYR M  26
 None
 1.38A 4u15B-3i04A:
undetectable		 4u15B-3i04A:
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.
3ki8 BETA
UREIDOPROPIONASE
(BETA-ALANINE
SYNTHASE)

(Pyrococcus
abyssi) 		PF00795
(CN_hydrolase) 		5 ASP A 148
SER A 154
ALA A 163
ALA A 159
TYR A 111
 None
 1.30A 4u15B-3ki8A:
undetectable		 4u15B-3ki8A:
20.75
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.
3muo PROLYL ENDOPEPTIDASE

(Aeromonas
caviae) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 TYR A 389
SER A 440
THR A 346
ALA A 345
ASN A 487
 None
 1.46A 4u15B-3muoA:
undetectable		 4u15B-3muoA:
19.35
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.
3ngm EXTRACELLULAR LIPASE

(Fusarium
graminearum) 		PF01764
(Lipase_3) 		5 ASP A 198
THR A 151
ALA A 150
ALA A 148
TYR A 260
 None
 1.16A 4u15B-3ngmA:
undetectable		 4u15B-3ngmA:
21.08
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.
3nuf PRD-CONTAINING
TRANSCRIPTION
REGULATOR

(Lactobacillus
paracasei) 		no annotation 5 ASP A  90
THR A   2
ALA A  40
ALA A  41
TYR A  33
 None
None
None
None
EDO  A 308 (-4.4A)
 1.48A 4u15B-3nufA:
undetectable		 4u15B-3nufA:
13.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o8o 6-PHOSPHOFRUCTOKINAS
E SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00365
(PFK) 		5 ASP A 737
SER A 867
ALA A 611
ALA A 610
TYR A 732
 None
 1.41A 4u15B-3o8oA:
undetectable		 4u15B-3o8oA:
20.28
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.
3psq HYPOTHETICAL
EXPORTED PROTEIN

(Streptococcus
pyogenes) 		PF04203
(Sortase) 		5 ASP A 118
SER A 121
THR A 158
THR A 156
ALA A  69
 ACY  A 242 (-3.8A)
None
None
None
None
 1.43A 4u15B-3psqA:
undetectable		 4u15B-3psqA:
17.62
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.
3pu5 EXTRACELLULAR
SOLUTE-BINDING
PROTEIN

(Bordetella
parapertussis) 		PF13416
(SBP_bac_8) 		5 ASP A 136
TYR A 135
THR A  38
ALA A  90
ALA A 272
 ASP  A 136 ( 0.6A)
TYR  A 135 ( 1.3A)
THR  A  38 ( 0.8A)
ALA  A  90 ( 0.0A)
ALA  A 272 ( 0.0A)
 1.40A 4u15B-3pu5A:
undetectable		 4u15B-3pu5A:
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.
3qfo PUTATIVE
UNCHARACTERIZED
PROTEIN

(Streptococcus
pneumoniae) 		PF12850
(Metallophos_2) 		5 TYR A 243
SER A 246
THR A  16
THR A  17
ALA A  18
 None
 1.21A 4u15B-3qfoA:
undetectable		 4u15B-3qfoA:
20.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3rze HISTAMINE H1
RECEPTOR, LYSOZYME
CHIMERA

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 ASP A 107
TYR A 108
SER A 111
ALA A 195
TRP A 428
 5EH  A1200 ( 2.6A)
D7V  A1201 ( 3.7A)
5EH  A1200 ( 3.7A)
D7V  A1201 ( 4.7A)
5EH  A1200 ( 3.4A)
 1.43A 4u15B-3rzeA:
36.1		 4u15B-3rzeA:
49.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3rze HISTAMINE H1
RECEPTOR, LYSOZYME
CHIMERA

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 TYR A 108
SER A 111
THR A 194
ALA A 195
TRP A 428
 D7V  A1201 ( 3.7A)
5EH  A1200 ( 3.7A)
D7V  A1201 ( 4.6A)
D7V  A1201 ( 4.7A)
5EH  A1200 ( 3.4A)
 1.40A 4u15B-3rzeA:
36.1		 4u15B-3rzeA:
49.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3rze HISTAMINE H1
RECEPTOR, LYSOZYME
CHIMERA

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 TYR A 108
SER A 111
THR A 194
ALA A 195
TYR A 431
 D7V  A1201 ( 3.7A)
5EH  A1200 ( 3.7A)
D7V  A1201 ( 4.6A)
D7V  A1201 ( 4.7A)
5EH  A1200 (-4.4A)
 1.12A 4u15B-3rzeA:
36.1		 4u15B-3rzeA:
49.03
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.
3sks PUTATIVE
OLIGOENDOPEPTIDASE F

(Bacillus
anthracis) 		no annotation 5 ASP A 428
THR A 379
ALA A 382
ALA A 493
TYR A 228
 None
 1.38A 4u15B-3sksA:
undetectable		 4u15B-3sksA:
20.21
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.
3stj PROTEASE DEGQ

(Escherichia
coli) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 SER A 160
THR A 155
ALA A 143
ALA A 141
ASN A 202
 None
 1.20A 4u15B-3stjA:
undetectable		 4u15B-3stjA:
23.23
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.
3u27 MICROCOMPARTMENTS
PROTEIN

(Leptotrichia
buccalis) 		no annotation 5 ASP C  44
SER C 180
THR C 138
ALA C 174
TYR C 149
 GOL  C 302 ( 2.9A)
GOL  C 303 (-4.3A)
None
None
None
 1.41A 4u15B-3u27C:
undetectable		 4u15B-3u27C:
21.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uon HUMAN M2 MUSCARINIC
ACETYLCHOLINE,
RECEPTOR T4 LYSOZYME
FUSION PROTEIN

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		11 ASP A 103
TYR A 104
SER A 107
THR A 187
THR A 190
ALA A 191
ALA A 194
TRP A 400
TYR A 403
ASN A 404
CYH A 429
 QNB  A1162 (-3.1A)
QNB  A1162 (-4.0A)
QNB  A1162 (-3.4A)
QNB  A1162 (-4.8A)
QNB  A1162 (-4.3A)
QNB  A1162 (-3.9A)
QNB  A1162 ( 4.0A)
QNB  A1162 (-4.7A)
QNB  A1162 (-3.9A)
QNB  A1162 (-2.9A)
QNB  A1162 ( 4.0A)
 0.52A 4u15B-3uonA:
19.2		 4u15B-3uonA:
65.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uon HUMAN M2 MUSCARINIC
ACETYLCHOLINE,
RECEPTOR T4 LYSOZYME
FUSION PROTEIN

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 ASP A 103
TYR A 104
THR A 187
ALA A 191
CYH A 429
 QNB  A1162 (-3.1A)
QNB  A1162 (-4.0A)
QNB  A1162 (-4.8A)
QNB  A1162 (-3.9A)
QNB  A1162 ( 4.0A)
 1.25A 4u15B-3uonA:
19.2		 4u15B-3uonA:
65.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uon HUMAN M2 MUSCARINIC
ACETYLCHOLINE,
RECEPTOR T4 LYSOZYME
FUSION PROTEIN

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		11 TYR A 104
SER A 107
THR A 187
THR A 190
ALA A 191
ALA A 194
TRP A 400
TYR A 403
ASN A 404
TYR A 426
CYH A 429
 QNB  A1162 (-4.0A)
QNB  A1162 (-3.4A)
QNB  A1162 (-4.8A)
QNB  A1162 (-4.3A)
QNB  A1162 (-3.9A)
QNB  A1162 ( 4.0A)
QNB  A1162 (-4.7A)
QNB  A1162 (-3.9A)
QNB  A1162 (-2.9A)
QNB  A1162 ( 4.2A)
QNB  A1162 ( 4.0A)
 0.73A 4u15B-3uonA:
19.2		 4u15B-3uonA:
65.11
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.
3vrb FLAVOPROTEIN SUBUNIT
OF COMPLEX II

(Ascaris suum) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 SER A 473
THR A 257
THR A 261
ALA A 260
ALA A 263
 None
 1.50A 4u15B-3vrbA:
undetectable		 4u15B-3vrbA:
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.
3wec CYTOCHROME P450

(Rhodococcus
erythropolis) 		PF00067
(p450) 		5 TYR A 354
SER A 351
THR A 258
THR A 257
ALA A 300
 HEM  A 501 (-4.4A)
None
HEM  A 501 (-3.9A)
HEM  A 501 (-3.5A)
AUI  A 502 ( 3.7A)
 1.28A 4u15B-3wecA:
undetectable		 4u15B-3wecA:
23.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b5m PUTATIVE
EXODEOXYRIBONUCLEASE

(Neisseria
meningitidis) 		PF03372
(Exo_endo_phos) 		5 ASP A  47
TYR A  16
SER A  45
ALA A  39
TYR A  72
 None
 1.45A 4u15B-4b5mA:
undetectable		 4u15B-4b5mA:
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.
4gdn PROTEIN FLP

(Staphylococcus
aureus) 		PF00144
(Beta-lactamase) 		5 TYR A 190
THR A 329
ALA A  95
ALA A 265
ASN A  97
 None
 1.37A 4u15B-4gdnA:
undetectable		 4u15B-4gdnA:
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.
4jrm 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Vibrio cholerae) 		no annotation 5 TYR D 300
SER D 358
THR D 367
ALA D 386
TRP D  25
 None
 1.44A 4u15B-4jrmD:
undetectable		 4u15B-4jrmD:
23.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lfn GALACTOSE-6-PHOSPHAT
E ISOMERASE SUBUNIT
A
GALACTOSE-6-PHOSPHAT
E ISOMERASE SUBUNIT
B

(Lactobacillus
rhamnosus) 		PF02502
(LacAB_rpiB) 		5 ASP B  87
THR A  81
ALA A  99
ASN A  97
CYH B  65
 None
None
None
RBL  B 201 (-2.7A)
RBL  B 201 (-3.4A)
 1.34A 4u15B-4lfnB:
undetectable		 4u15B-4lfnB:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lsm GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE,
CYTOSOLIC

(Trypanosoma
cruzi) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 ASP A  54
THR A 241
THR A 185
ALA A 184
ASN A 320
 None
None
None
None
NAD  A 401 (-3.7A)
 1.48A 4u15B-4lsmA:
undetectable		 4u15B-4lsmA:
21.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mqt MUSCARINIC
ACETYLCHOLINE
RECEPTOR M2

(Homo sapiens) 		PF00001
(7tm_1) 		7 ASP A 103
TYR A 104
SER A 107
THR A 190
ALA A 191
ALA A 194
TRP A 400
 IXO  A 501 (-3.4A)
IXO  A 501 (-3.7A)
IXO  A 501 (-3.4A)
None
None
IXO  A 501 (-3.5A)
IXO  A 501 (-4.6A)
 1.09A 4u15B-4mqtA:
33.6		 4u15B-4mqtA:
49.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mqt MUSCARINIC
ACETYLCHOLINE
RECEPTOR M2

(Homo sapiens) 		PF00001
(7tm_1) 		8 ASP A 103
TYR A 104
SER A 107
THR A 190
ALA A 191
ALA A 194
TYR A 426
CYH A 429
 IXO  A 501 (-3.4A)
IXO  A 501 (-3.7A)
IXO  A 501 (-3.4A)
None
None
IXO  A 501 (-3.5A)
2CU  A 502 ( 3.9A)
IXO  A 501 (-3.5A)
 0.88A 4u15B-4mqtA:
33.6		 4u15B-4mqtA:
49.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mqt MUSCARINIC
ACETYLCHOLINE
RECEPTOR M2

(Homo sapiens) 		PF00001
(7tm_1) 		8 ASP A 103
TYR A 104
SER A 107
THR A 190
ALA A 191
TRP A 400
TYR A 403
ASN A 404
 IXO  A 501 (-3.4A)
IXO  A 501 (-3.7A)
IXO  A 501 (-3.4A)
None
None
IXO  A 501 (-4.6A)
IXO  A 501 (-3.8A)
IXO  A 501 (-3.0A)
 1.14A 4u15B-4mqtA:
33.6		 4u15B-4mqtA:
49.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mqt MUSCARINIC
ACETYLCHOLINE
RECEPTOR M2

(Homo sapiens) 		PF00001
(7tm_1) 		9 ASP A 103
TYR A 104
SER A 107
THR A 190
ALA A 191
TYR A 403
ASN A 404
TYR A 426
CYH A 429
 IXO  A 501 (-3.4A)
IXO  A 501 (-3.7A)
IXO  A 501 (-3.4A)
None
None
IXO  A 501 (-3.8A)
IXO  A 501 (-3.0A)
2CU  A 502 ( 3.9A)
IXO  A 501 (-3.5A)
 0.98A 4u15B-4mqtA:
33.6		 4u15B-4mqtA:
49.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mqt MUSCARINIC
ACETYLCHOLINE
RECEPTOR M2

(Homo sapiens) 		PF00001
(7tm_1) 		6 ASP A 103
TYR A 104
THR A 187
ALA A 191
TYR A 426
CYH A 429
 IXO  A 501 (-3.4A)
IXO  A 501 (-3.7A)
None
None
2CU  A 502 ( 3.9A)
IXO  A 501 (-3.5A)
 1.21A 4u15B-4mqtA:
33.6		 4u15B-4mqtA:
49.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mqt MUSCARINIC
ACETYLCHOLINE
RECEPTOR M2

(Homo sapiens) 		PF00001
(7tm_1) 		7 ASP A 103
TYR A 104
THR A 187
THR A 190
ALA A 191
ALA A 194
CYH A 429
 IXO  A 501 (-3.4A)
IXO  A 501 (-3.7A)
None
None
None
IXO  A 501 (-3.5A)
IXO  A 501 (-3.5A)
 0.90A 4u15B-4mqtA:
33.6		 4u15B-4mqtA:
49.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mqt MUSCARINIC
ACETYLCHOLINE
RECEPTOR M2

(Homo sapiens) 		PF00001
(7tm_1) 		8 ASP A 103
TYR A 104
THR A 187
THR A 190
ALA A 191
TYR A 403
ASN A 404
CYH A 429
 IXO  A 501 (-3.4A)
IXO  A 501 (-3.7A)
None
None
None
IXO  A 501 (-3.8A)
IXO  A 501 (-3.0A)
IXO  A 501 (-3.5A)
 0.96A 4u15B-4mqtA:
33.6		 4u15B-4mqtA:
49.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mqt MUSCARINIC
ACETYLCHOLINE
RECEPTOR M2

(Homo sapiens) 		PF00001
(7tm_1) 		5 THR A 187
THR A 190
ALA A 191
ALA A 193
TYR A 403
 None
None
None
None
IXO  A 501 (-3.8A)
 1.38A 4u15B-4mqtA:
33.6		 4u15B-4mqtA:
49.31
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.
4n4w CYTOCHROME
B(562),SMOOTHENED
HOMOLOG

(Homo sapiens;
Shigella
flexneri) 		PF01534
(Frizzled)
PF07361
(Cytochrom_B562) 		5 THR A 248
THR A 251
ALA A 250
ALA A 254
TYR A 269
 None
 1.34A 4u15B-4n4wA:
18.4		 4u15B-4n4wA:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o6r ALDEHYDE
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00171
(Aldedh) 		5 ASP A  21
THR A 207
THR A  38
ALA A  37
ALA A  14
 None
 1.50A 4u15B-4o6rA:
undetectable		 4u15B-4o6rA:
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.
4olp GRPU
MICROCOMPARTMENT
SHELL PROTEIN

(Pectobacterium
parmentieri) 		PF00936
(BMC) 		5 SER A  25
THR A  74
THR A  75
ALA A  77
TYR A  48
 None
 1.12A 4u15B-4olpA:
undetectable		 4u15B-4olpA:
14.11
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.
4ozq CHIMERA OF
MALTOSE-BINDING
PERIPLASMIC PROTEIN
AND KINESIN FAMILY
MEMBER 14 PROTEIN

(Escherichia
coli;
Mus musculus) 		PF00225
(Kinesin)
PF13416
(SBP_bac_8) 		5 THR A  -4
ALA A  -2
ALA A  -6
TRP A-212
TYR A-203
 None
 1.47A 4u15B-4ozqA:
undetectable		 4u15B-4ozqA:
19.28
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.
4p8r GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE,
CYTOSOLIC

(Trypanosoma
brucei) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 ASP A  48
THR A 235
THR A 179
ALA A 178
ASN A 314
 None
None
None
None
NAD  A 400 (-3.7A)
 1.47A 4u15B-4p8rA:
undetectable		 4u15B-4p8rA:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4psw HISTONE
ACETYLTRANSFERASE
TYPE B SUBUNIT 2

(Saccharomyces
cerevisiae) 		PF00400
(WD40)
PF12265
(CAF1C_H4-bd) 		5 ASP B 213
THR B 143
THR B 136
ALA B 135
ALA B 124
 None
 1.42A 4u15B-4pswB:
undetectable		 4u15B-4pswB:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tkt AT-LESS POLYKETIDE
SYNTHASE

(Streptomyces
platensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 TYR A3273
SER A3350
ALA A3500
ALA A3499
TYR A3381
 None
 1.38A 4u15B-4tktA:
undetectable		 4u15B-4tktA:
19.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4u14 MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M3,ENDOLYSIN,MUSCARI
NIC ACETYLCHOLINE
RECEPTOR M3

(Escherichia
virus T4;
Rattus
norvegicus) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		12 ASP A 147
TYR A 148
SER A 151
THR A 231
THR A 234
ALA A 235
ALA A 238
TRP A 503
TYR A 506
ASN A 507
TYR A 529
CYH A 532
 0HK  A2000 (-3.2A)
0HK  A2000 (-2.8A)
0HK  A2000 (-3.3A)
0HK  A2000 (-4.3A)
None
0HK  A2000 ( 3.9A)
0HK  A2000 ( 3.8A)
0HK  A2000 (-4.3A)
0HK  A2000 (-4.1A)
0HK  A2000 (-2.9A)
0HK  A2000 (-4.1A)
0HK  A2000 (-3.9A)
 0.35A 4u15B-4u14A:
40.9		 4u15B-4u14A:
89.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4u14 MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M3,ENDOLYSIN,MUSCARI
NIC ACETYLCHOLINE
RECEPTOR M3

(Escherichia
virus T4;
Rattus
norvegicus) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		8 ASP A 147
TYR A 148
SER A 151
THR A 231
TRP A 503
ASN A 507
TYR A 529
CYH A 532
 0HK  A2000 (-3.2A)
0HK  A2000 (-2.8A)
0HK  A2000 (-3.3A)
0HK  A2000 (-4.3A)
0HK  A2000 (-4.3A)
0HK  A2000 (-2.9A)
0HK  A2000 (-4.1A)
0HK  A2000 (-3.9A)
 1.36A 4u15B-4u14A:
40.9		 4u15B-4u14A:
89.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4u14 MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M3,ENDOLYSIN,MUSCARI
NIC ACETYLCHOLINE
RECEPTOR M3

(Escherichia
virus T4;
Rattus
norvegicus) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		6 ASP A 147
TYR A 148
THR A 231
ALA A 235
TYR A 529
CYH A 532
 0HK  A2000 (-3.2A)
0HK  A2000 (-2.8A)
0HK  A2000 (-4.3A)
0HK  A2000 ( 3.9A)
0HK  A2000 (-4.1A)
0HK  A2000 (-3.9A)
 1.33A 4u15B-4u14A:
40.9		 4u15B-4u14A:
89.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4u14 MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M3,ENDOLYSIN,MUSCARI
NIC ACETYLCHOLINE
RECEPTOR M3

(Escherichia
virus T4;
Rattus
norvegicus) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		6 ASP A 147
TYR A 148
THR A 234
ALA A 238
TRP A 503
CYH A 532
 0HK  A2000 (-3.2A)
0HK  A2000 (-2.8A)
None
0HK  A2000 ( 3.8A)
0HK  A2000 (-4.3A)
0HK  A2000 (-3.9A)
 1.35A 4u15B-4u14A:
40.9		 4u15B-4u14A:
89.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4u16 MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M3,LYSOZYME,MUSCARIN
IC ACETYLCHOLINE
RECEPTOR M3

(Escherichia
virus T4;
Rattus
norvegicus) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		12 ASP A 147
TYR A 148
SER A 151
THR A 231
THR A 234
ALA A 235
ALA A 238
TRP A 503
TYR A 506
ASN A 507
TYR A 529
CYH A 532
 3C0  A1202 (-3.4A)
3C0  A1202 (-3.7A)
3C0  A1202 (-2.9A)
None
None
3C0  A1202 (-3.5A)
3C0  A1202 (-3.5A)
3C0  A1202 ( 4.0A)
3C0  A1202 (-3.7A)
3C0  A1202 (-2.9A)
3C0  A1202 (-3.7A)
3C0  A1202 (-3.6A)
 0.42A 4u15B-4u16A:
47.3		 4u15B-4u16A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4u16 MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M3,LYSOZYME,MUSCARIN
IC ACETYLCHOLINE
RECEPTOR M3

(Escherichia
virus T4;
Rattus
norvegicus) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		7 ASP A 147
TYR A 148
SER A 151
THR A 231
TRP A 503
ASN A 507
CYH A 532
 3C0  A1202 (-3.4A)
3C0  A1202 (-3.7A)
3C0  A1202 (-2.9A)
None
3C0  A1202 ( 4.0A)
3C0  A1202 (-2.9A)
3C0  A1202 (-3.6A)
 1.31A 4u15B-4u16A:
47.3		 4u15B-4u16A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4u16 MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M3,LYSOZYME,MUSCARIN
IC ACETYLCHOLINE
RECEPTOR M3

(Escherichia
virus T4;
Rattus
norvegicus) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 ASP A 147
TYR A 148
THR A 234
ALA A 238
CYH A 532
 3C0  A1202 (-3.4A)
3C0  A1202 (-3.7A)
None
3C0  A1202 (-3.5A)
3C0  A1202 (-3.6A)
 1.22A 4u15B-4u16A:
47.3		 4u15B-4u16A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4u16 MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M3,LYSOZYME,MUSCARIN
IC ACETYLCHOLINE
RECEPTOR M3

(Escherichia
virus T4;
Rattus
norvegicus) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		7 ASP A 147
TYR A 148
THR A 234
TRP A 503
ASN A 507
TYR A 529
CYH A 532
 3C0  A1202 (-3.4A)
3C0  A1202 (-3.7A)
None
3C0  A1202 ( 4.0A)
3C0  A1202 (-2.9A)
3C0  A1202 (-3.7A)
3C0  A1202 (-3.6A)
 1.39A 4u15B-4u16A:
47.3		 4u15B-4u16A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wjm RIBOKINASE:CARBOHYDR
ATE KINASE, PFKB

(Brucella
abortus) 		PF00294
(PfkB) 		5 ASP A  11
THR A  35
THR A 250
ALA A 247
ASN A 157
 None
None
None
ANP  A 401 (-3.3A)
ANP  A 401 (-3.6A)
 1.42A 4u15B-4wjmA:
undetectable		 4u15B-4wjmA:
22.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zhj MG-CHELATASE SUBUNIT
CHLH

(Synechocystis
sp. PCC 6803) 		PF02514
(CobN-Mg_chel)
PF11965
(DUF3479) 		5 SER A1165
THR A 781
ALA A 780
ALA A 680
ASN A 682
 None
 1.30A 4u15B-4zhjA:
undetectable		 4u15B-4zhjA:
14.35
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.
5a9g MANGANESE SUPEROXIDE
DISMUTASE

(Sphingobacterium
spiritivorum) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		5 SER A  51
THR A 157
ALA A  57
TYR A  74
ASN A 146
 None
 1.46A 4u15B-5a9gA:
undetectable		 4u15B-5a9gA:
20.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5cxv MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M1,ENDOLYSIN,MUSCARI
NIC ACETYLCHOLINE
RECEPTOR M1

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		12 ASP A 105
TYR A 106
SER A 109
THR A 189
THR A 192
ALA A 193
ALA A 196
TRP A 378
TYR A 381
ASN A 382
TYR A 404
CYH A 407
 0HK  A 501 (-3.0A)
0HK  A 501 (-3.4A)
0HK  A 501 (-3.1A)
0HK  A 501 (-4.4A)
0HK  A 501 (-4.0A)
0HK  A 501 (-3.9A)
0HK  A 501 (-3.6A)
0HK  A 501 (-4.4A)
0HK  A 501 (-4.1A)
0HK  A 501 (-2.8A)
0HK  A 501 (-3.6A)
0HK  A 501 (-3.7A)
 0.47A 4u15B-5cxvA:
41.1		 4u15B-5cxvA:
67.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5cxv MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M1,ENDOLYSIN,MUSCARI
NIC ACETYLCHOLINE
RECEPTOR M1

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 ASP A 105
TYR A 106
THR A 189
ALA A 193
CYH A 407
 0HK  A 501 (-3.0A)
0HK  A 501 (-3.4A)
0HK  A 501 (-4.4A)
0HK  A 501 (-3.9A)
0HK  A 501 (-3.7A)
 1.30A 4u15B-5cxvA:
41.1		 4u15B-5cxvA:
67.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5cxv MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M1,ENDOLYSIN,MUSCARI
NIC ACETYLCHOLINE
RECEPTOR M1

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		6 ASP A 105
TYR A 106
THR A 192
ALA A 196
TYR A 404
CYH A 407
 0HK  A 501 (-3.0A)
0HK  A 501 (-3.4A)
0HK  A 501 (-4.0A)
0HK  A 501 (-3.6A)
0HK  A 501 (-3.6A)
0HK  A 501 (-3.7A)
 1.27A 4u15B-5cxvA:
41.1		 4u15B-5cxvA:
67.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5cxv MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M1,ENDOLYSIN,MUSCARI
NIC ACETYLCHOLINE
RECEPTOR M1

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		7 ASP A 105
TYR A 106
THR A 192
TRP A 378
ASN A 382
TYR A 404
CYH A 407
 0HK  A 501 (-3.0A)
0HK  A 501 (-3.4A)
0HK  A 501 (-4.0A)
0HK  A 501 (-4.4A)
0HK  A 501 (-2.8A)
0HK  A 501 (-3.6A)
0HK  A 501 (-3.7A)
 1.19A 4u15B-5cxvA:
41.1		 4u15B-5cxvA:
67.80
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.
5dm3 L-GLUTAMINE
SYNTHETASE

(Chromohalobacter
salexigens) 		PF00120
(Gln-synt_C) 		5 ASP A 357
TYR A 309
SER A 312
ALA A 429
ALA A 430
 None
 1.49A 4u15B-5dm3A:
undetectable		 4u15B-5dm3A:
20.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dsg MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M4,ENDOLYSIN,ENDOLYS
IN,MUSCARINIC
ACETYLCHOLINE
RECEPTOR M4

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		12 ASP A 112
TYR A 113
SER A 116
THR A 196
THR A 199
ALA A 200
ALA A 203
TRP A 413
TYR A 416
ASN A 417
TYR A 439
CYH A 442
 0HK  A1201 (-4.0A)
0HK  A1201 ( 3.2A)
0HK  A1201 (-3.3A)
P6G  A1205 (-4.6A)
OLC  A1208 (-4.4A)
0HK  A1201 ( 4.2A)
0HK  A1201 (-3.6A)
0HK  A1201 (-4.3A)
0HK  A1201 (-4.2A)
0HK  A1201 (-2.8A)
0HK  A1201 (-3.6A)
0HK  A1201 (-3.6A)
 0.48A 4u15B-5dsgA:
44.9		 4u15B-5dsgA:
75.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dsg MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M4,ENDOLYSIN,ENDOLYS
IN,MUSCARINIC
ACETYLCHOLINE
RECEPTOR M4

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		6 ASP A 112
TYR A 113
THR A 199
ALA A 203
TYR A 439
CYH A 442
 0HK  A1201 (-4.0A)
0HK  A1201 ( 3.2A)
OLC  A1208 (-4.4A)
0HK  A1201 (-3.6A)
0HK  A1201 (-3.6A)
0HK  A1201 (-3.6A)
 1.38A 4u15B-5dsgA:
44.9		 4u15B-5dsgA:
75.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dsg MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M4,ENDOLYSIN,ENDOLYS
IN,MUSCARINIC
ACETYLCHOLINE
RECEPTOR M4

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 TYR A 113
THR A 196
ALA A 200
TYR A 439
CYH A 442
 0HK  A1201 ( 3.2A)
P6G  A1205 (-4.6A)
0HK  A1201 ( 4.2A)
0HK  A1201 (-3.6A)
0HK  A1201 (-3.6A)
 1.27A 4u15B-5dsgA:
44.9		 4u15B-5dsgA:
75.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fav CHOLINE
TRIMETHYLAMINE-LYASE

(Desulfovibrio
alaskensis) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 SER A 823
THR A 434
ALA A 433
ALA A 460
ASN A 397
 None
 1.26A 4u15B-5favA:
undetectable		 4u15B-5favA:
19.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fpw PRO CATHEPSIN B S9

(Trypanosoma
congolense) 		PF00112
(Peptidase_C1) 		5 ASP A 239
THR A 259
THR A  47
ALA A  43
TYR A 248
 None
 1.44A 4u15B-5fpwA:
undetectable		 4u15B-5fpwA:
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.
5i8i UREA AMIDOLYASE

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF01425
(Amidase)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 THR A  89
THR A  90
ALA A  91
ALA A  92
ASN A  81
 None
 1.49A 4u15B-5i8iA:
undetectable		 4u15B-5i8iA:
12.48
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.
5ldn HEXON PROTEIN,HEXON
CAPSID

(Human
mastadenovirus
C) 		PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C) 		5 THR A 628
THR A 625
ALA A 626
ALA A 622
ASN A  90
 None
 1.42A 4u15B-5ldnA:
undetectable		 4u15B-5ldnA:
17.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ty7 PENICILLIN-BINDING
PROTEIN 4

(Staphylococcus
aureus) 		no annotation 5 SER A  51
THR A 201
ALA A  74
ALA A 266
TYR A 208
 None
None
NFF  A 401 ( 3.7A)
None
None
 1.43A 4u15B-5ty7A:
undetectable		 4u15B-5ty7A:
11.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v57 SMOOTHENED
HOMOLOG,FLAVODOXIN,S
MOOTHENED HOMOLOG

(Desulfovibrio
vulgaris;
Homo sapiens) 		PF00258
(Flavodoxin_1)
PF01392
(Fz)
PF01534
(Frizzled) 		5 THR A 248
THR A 251
ALA A 250
ALA A 254
TYR A 269
 None
 1.28A 4u15B-5v57A:
18.3		 4u15B-5v57A:
21.20
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.
5vem ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 5

(Homo sapiens) 		PF01663
(Phosphodiest) 		5 THR A  78
THR A  81
ALA A 120
ASN A  87
TYR A 307
 None
None
None
NAG  A 507 (-2.7A)
None
 1.44A 4u15B-5vemA:
undetectable		 4u15B-5vemA:
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.
5veo ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 5

(Mus musculus) 		PF01663
(Phosphodiest) 		5 THR A  78
THR A  81
ALA A 120
ASN A  87
TYR A 307
 None
None
None
NAG  A 510 (-2.9A)
None
 1.45A 4u15B-5veoA:
undetectable		 4u15B-5veoA:
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.
6con COA-TRANSFERASE
SUBUNIT ALPHA

(Mycobacterium
tuberculosis) 		no annotation 5 TYR A 186
THR A 240
THR A 241
ALA A 242
ALA A 243
 None
 1.34A 4u15B-6conA:
undetectable		 4u15B-6conA:
11.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gi2 FERRIC ENTEROBACTIN
ESTERASE

(Pseudomonas
aeruginosa) 		no annotation 5 SER A  29
THR A 104
ALA A 125
ALA A 127
TYR A  88
 None
 1.42A 4u15B-6gi2A:
undetectable		 4u15B-6gi2A:
13.81