SIMILAR PATTERNS OF AMINO ACIDS FOR 4HYF_A_NCAA1201_0

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.
1cbg CYANOGENIC
BETA-GLUCOSIDASE

(Trifolium
repens) 		PF00232
(Glyco_hydro_1) 		5 HIS A 137
TYR A  34
ALA A  31
SER A  93
GLU A  71
 None
 1.49A 4hyfA-1cbgA:
undetectable		 4hyfA-1cbgA:
18.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1d3u TATA-BINDING PROTEIN

(Pyrococcus
woesei) 		PF00352
(TBP) 		4 GLY A 160
ALA A 170
SER A 146
GLU A 169
 None
 0.84A 4hyfA-1d3uA:
undetectable		 4hyfA-1d3uA:
22.18
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.
1dbw TRANSCRIPTIONAL
REGULATORY PROTEIN
FIXJ

(Sinorhizobium
meliloti) 		PF00072
(Response_reg) 		4 GLY A  49
ALA A 118
TYR A   4
GLU A 120
 None
None
15P  A 999 (-4.3A)
None
 0.86A 4hyfA-1dbwA:
undetectable		 4hyfA-1dbwA:
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.
1dtp DIPHTHERIA TOXIN

(Corynephage
beta) 		PF02763
(Diphtheria_C) 		5 HIS A  21
GLY A  22
TYR A  54
TYR A  65
GLU A 148
 APU  A 200 ( 3.3A)
APU  A 200 ( 4.0A)
APU  A 200 ( 4.0A)
APU  A 200 ( 3.6A)
None
 0.81A 4hyfA-1dtpA:
5.7		 4hyfA-1dtpA:
20.31
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.
1e8t HEMAGGLUTININ-NEURAM
INIDASE

(Avian
avulavirus 1) 		PF00423
(HN) 		4 GLY A 468
TYR A 470
ALA A 400
SER A 418
 None
 0.83A 4hyfA-1e8tA:
undetectable		 4hyfA-1e8tA:
21.37
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.
1efy POLY (ADP-RIBOSE)
POLYMERASE

(Gallus gallus) 		PF00644
(PARP)
PF02877
(PARP_reg) 		7 HIS A 862
GLY A 863
TYR A 896
ALA A 898
SER A 904
TYR A 907
GLU A 988
 BZC  A 201 (-4.0A)
BZC  A 201 (-3.9A)
BZC  A 201 (-4.0A)
BZC  A 201 ( 3.9A)
BZC  A 201 (-3.3A)
BZC  A 201 (-3.6A)
BZC  A 201 (-4.0A)
 0.58A 4hyfA-1efyA:
19.9		 4hyfA-1efyA:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f99 R-PHYCOCYANIN

(Polysiphonia
urceolata) 		PF00502
(Phycobilisome) 		4 HIS A 140
GLY A 141
ALA A  43
GLU A  39
 None
 0.90A 4hyfA-1f99A:
undetectable		 4hyfA-1f99A:
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.
1htn TETRANECTIN

(Homo sapiens) 		PF00059
(Lectin_C) 		5 GLY A  90
TYR A  97
ALA A  95
SER A  91
GLU A  98
 None
 1.35A 4hyfA-1htnA:
undetectable		 4hyfA-1htnA:
17.84
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.
1ikp EXOTOXIN A

(Pseudomonas
aeruginosa) 		PF09009
(Exotox-A_cataly)
PF09101
(Exotox-A_bind)
PF09102
(Exotox-A_target) 		6 HIS A 440
GLY A 441
TYR A 470
ALA A 472
TYR A 481
GLU A 553
 None
 0.68A 4hyfA-1ikpA:
5.8		 4hyfA-1ikpA:
15.88
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.
1kr1 HEVAMINE A

(Hevea
brasiliensis) 		PF00704
(Glyco_hydro_18) 		4 GLY A 228
ALA A 224
TYR A 229
GLU A 223
 None
 0.91A 4hyfA-1kr1A:
undetectable		 4hyfA-1kr1A:
18.53
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.
1l1l RIBONUCLEOSIDE
TRIPHOSPHATE
REDUCTASE

(Lactobacillus
leichmannii) 		PF02867
(Ribonuc_red_lgC) 		4 GLY A 273
ALA A 314
SER A 272
TYR A 260
 None
 0.68A 4hyfA-1l1lA:
undetectable		 4hyfA-1l1lA:
14.19
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.
1nb2 NUCLEOSIDE
DIPHOSPHATE KINASE

(Virgibacillus
halodenitrificans) 		PF00334
(NDK) 		4 GLY A 117
ALA A 124
SER A 118
GLU A   3
 None
 0.87A 4hyfA-1nb2A:
undetectable		 4hyfA-1nb2A:
18.26
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.
1ndl NUCLEOSIDE
DIPHOSPHATE KINASE

(Drosophila
melanogaster) 		PF00334
(NDK) 		4 GLY A 120
ALA A 127
SER A 121
GLU A   6
 None
 0.93A 4hyfA-1ndlA:
undetectable		 4hyfA-1ndlA:
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.
1nvm 4-HYDROXY-2-OXOVALER
ATE ALDOLASE

(Pseudomonas sp.
CF600) 		PF00682
(HMGL-like)
PF07836
(DmpG_comm) 		4 GLY A 172
ALA A 232
SER A 292
TYR A 291
 None
None
None
OXL  A3508 (-4.6A)
 0.91A 4hyfA-1nvmA:
undetectable		 4hyfA-1nvmA:
20.40
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.
1o0s NAD-DEPENDENT MALIC
ENZYME

(Ascaris suum) 		PF00390
(malic)
PF03949
(Malic_M) 		4 GLY A 298
TYR A 481
ALA A 507
SER A 301
 None
 0.75A 4hyfA-1o0sA:
undetectable		 4hyfA-1o0sA:
17.85
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.
1qfx PROTEIN (PH 2.5 ACID
PHOSPHATASE)

(Aspergillus
niger) 		PF00328
(His_Phos_2) 		4 GLY A  43
ALA A 387
SER A  41
TYR A  42
 None
 0.75A 4hyfA-1qfxA:
undetectable		 4hyfA-1qfxA:
19.25
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.
1qot CHITIN BINDING
LECTIN, UEA-II

(Ulex europaeus) 		PF00139
(Lectin_legB) 		4 HIS A 227
GLY A 217
ALA A  89
GLU A 126
 None
None
None
MN  A 301 (-2.5A)
 0.72A 4hyfA-1qotA:
undetectable		 4hyfA-1qotA:
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.
1rkx CDP-GLUCOSE-4,6-DEHY
DRATASE

(Yersinia
pseudotuberculosis) 		PF16363
(GDP_Man_Dehyd) 		4 HIS A  17
GLY A  38
ALA A  88
TYR A  39
 None
None
NAD  A 360 (-3.6A)
None
 0.82A 4hyfA-1rkxA:
undetectable		 4hyfA-1rkxA:
19.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1s4e GALACTOKINASE

(Pyrococcus
furiosus) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg) 		4 GLY A 113
TYR A  72
ALA A 135
GLU A 139
 None
ADP  A 400 (-3.6A)
None
MG  A 600 ( 4.9A)
 0.72A 4hyfA-1s4eA:
undetectable		 4hyfA-1s4eA:
21.71
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.
1sp3 CYTOCHROME C,
PUTATIVE

(Shewanella
oneidensis) 		PF11783
(Cytochrome_cB)
PF13435
(Cytochrome_C554) 		4 HIS A  78
TYR A  81
ALA A 115
GLU A 117
 None
 0.80A 4hyfA-1sp3A:
undetectable		 4hyfA-1sp3A:
17.01
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.
1tez DEOXYRIBODIPYRIMIDIN
E PHOTOLYASE

(Synechococcus
elongatus) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		4 HIS A 265
ALA A 273
SER A 268
GLU A 272
 None
 0.77A 4hyfA-1tezA:
undetectable		 4hyfA-1tezA:
17.82
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.
1u8w NUCLEOSIDE
DIPHOSPHATE KINASE I

(Arabidopsis
thaliana) 		PF00334
(NDK) 		4 GLY A 116
ALA A 123
SER A 117
GLU A   2
 None
 0.92A 4hyfA-1u8wA:
undetectable		 4hyfA-1u8wA:
20.25
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.
1whw HYPOTHETICAL PROTEIN
RIKEN CDNA
1200009A02

(Mus musculus) 		PF00076
(RRM_1) 		4 HIS A  91
GLY A  62
ALA A  95
GLU A  98
 None
 0.84A 4hyfA-1whwA:
undetectable		 4hyfA-1whwA:
18.33
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.
1wvg CDP-GLUCOSE
4,6-DEHYDRATASE

(Salmonella
enterica) 		PF16363
(GDP_Man_Dehyd) 		4 HIS A  19
GLY A  40
ALA A  90
TYR A  41
 None
None
APR  A 400 (-3.4A)
None
 0.85A 4hyfA-1wvgA:
undetectable		 4hyfA-1wvgA:
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.
1ykw RUBISCO-LIKE PROTEIN

(Chlorobaculum
tepidum) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		4 GLY A 219
TYR A 187
ALA A 183
GLU A 184
 None
 0.93A 4hyfA-1ykwA:
undetectable		 4hyfA-1ykwA:
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.
1z7e PROTEIN ARNA

(Escherichia
coli) 		PF00551
(Formyl_trans_N)
PF01370
(Epimerase)
PF02911
(Formyl_trans_C) 		4 GLY A 612
TYR A 398
TYR A 613
GLU A 434
 None
UGA  A1101 (-4.5A)
None
UGA  A1101 (-4.0A)
 0.87A 4hyfA-1z7eA:
undetectable		 4hyfA-1z7eA:
17.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zbs HYPOTHETICAL PROTEIN
PG1100

(Porphyromonas
gingivalis) 		PF01869
(BcrAD_BadFG) 		4 GLY A 100
TYR A  64
ALA A  95
GLU A  93
 None
 0.90A 4hyfA-1zbsA:
undetectable		 4hyfA-1zbsA:
23.38
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.
1zs6 NUCLEOSIDE
DIPHOSPHATE KINASE 3

(Homo sapiens) 		PF00334
(NDK) 		4 GLY A 136
ALA A 143
SER A 137
GLU A  22
 None
 0.88A 4hyfA-1zs6A:
undetectable		 4hyfA-1zs6A:
22.09
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.
2b0t NADP ISOCITRATE
DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF03971
(IDH) 		4 GLY A  44
TYR A 712
SER A  41
GLU A  11
 None
 0.92A 4hyfA-2b0tA:
undetectable		 4hyfA-2b0tA:
16.23
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.
2ctt DNAJ HOMOLOG
SUBFAMILY A MEMBER 3

(Homo sapiens) 		PF00684
(DnaJ_CXXCXGXG) 		4 GLY A  53
TYR A  50
SER A  54
GLU A  57
 None
 0.90A 4hyfA-2cttA:
undetectable		 4hyfA-2cttA:
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.
2dej PROBABLE
GALACTOKINASE

(Pyrococcus
horikoshii) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg) 		4 GLY A 111
TYR A  70
ALA A 133
GLU A 137
 None
APW  A 402 (-3.8A)
None
APW  A 402 ( 4.8A)
 0.82A 4hyfA-2dejA:
undetectable		 4hyfA-2dejA:
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.
2euh NADP DEPENDENT NON
PHOSPHORYLATING
GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Streptococcus
mutans) 		PF00171
(Aldedh) 		4 GLY A 453
TYR A 459
ALA A 463
GLU A 462
 None
 0.90A 4hyfA-2euhA:
undetectable		 4hyfA-2euhA:
19.20
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.
2oxt NUCLEOSIDE-2'-O-METH
YLTRANSFERASE

(Meaban virus) 		PF01728
(FtsJ) 		4 GLY A  87
ALA A 103
SER A  89
TYR A  90
 SAM  A 300 (-3.2A)
None
None
None
 0.87A 4hyfA-2oxtA:
undetectable		 4hyfA-2oxtA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pqf POLY [ADP-RIBOSE]
POLYMERASE 12

(Homo sapiens) 		PF00644
(PARP) 		6 HIS A 564
GLY A 565
TYR A 596
ALA A 598
SER A 604
TYR A 607
 GAB  A 701 ( 3.7A)
GAB  A 701 (-3.6A)
GAB  A 701 (-4.5A)
GAB  A 701 (-3.3A)
GAB  A 701 (-2.8A)
GAB  A 701 (-3.3A)
 0.53A 4hyfA-2pqfA:
20.2		 4hyfA-2pqfA:
28.46
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.
2zf5 GLYCEROL KINASE

(Thermococcus
kodakarensis) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 GLY O  77
TYR O 436
ALA O 431
SER O   7
 None
 0.92A 4hyfA-2zf5O:
undetectable		 4hyfA-2zf5O:
18.53
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.
3b78 EXOTOXIN A

(Pseudomonas
aeruginosa) 		PF09009
(Exotox-A_cataly) 		6 HIS B 440
GLY B 441
TYR B 470
ALA B 472
TYR B 481
GLU B 553
 NAD  B 700 (-3.9A)
NAD  B 700 (-3.9A)
NAD  B 700 (-3.9A)
NAD  B 700 ( 4.2A)
NAD  B 700 (-3.4A)
NAD  B 700 (-3.5A)
 0.66A 4hyfA-3b78B:
6.3		 4hyfA-3b78B:
19.37
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.
3c49 POLY(ADP-RIBOSE)
POLYMERASE 3

(Homo sapiens) 		PF00644
(PARP)
PF02877
(PARP_reg) 		7 HIS A 384
GLY A 385
TYR A 414
ALA A 416
SER A 422
TYR A 425
GLU A 514
 KU8  A 601 (-4.0A)
KU8  A 601 (-3.5A)
KU8  A 601 (-4.1A)
KU8  A 601 ( 4.0A)
KU8  A 601 (-2.9A)
KU8  A 601 (-3.5A)
KU8  A 601 (-3.9A)
 0.71A 4hyfA-3c49A:
19.5		 4hyfA-3c49A:
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.
3cfy PUTATIVE LUXO
REPRESSOR PROTEIN

(Vibrio
parahaemolyticus) 		PF00072
(Response_reg) 		4 HIS A 117
ALA A 121
SER A  76
GLU A 124
 None
 0.81A 4hyfA-3cfyA:
undetectable		 4hyfA-3cfyA:
17.50
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.
3eoq PUTATIVE ZINC
PROTEASE

(Thermus
thermophilus) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		4 HIS A 297
GLY A 286
TYR A 299
ALA A 240
 None
 0.93A 4hyfA-3eoqA:
undetectable		 4hyfA-3eoqA:
19.80
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) 		4 GLY A  86
ALA A 102
SER A  88
TYR A  89
 SAM  A4633 (-3.2A)
None
None
None
 0.91A 4hyfA-3gczA:
undetectable		 4hyfA-3gczA:
21.69
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.
3gem SHORT CHAIN
DEHYDROGENASE

(Pseudomonas
savastanoi) 		PF13561
(adh_short_C2) 		4 GLY A  18
TYR A 210
ALA A 206
GLU A 207
 None
 0.83A 4hyfA-3gemA:
undetectable		 4hyfA-3gemA:
25.51
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.
3gg4 GLYCEROL KINASE

(Yersinia
pseudotuberculosis) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 GLY A 284
ALA A 476
SER A 447
GLU A 475
 None
 0.88A 4hyfA-3gg4A:
undetectable		 4hyfA-3gg4A:
17.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gq9 PRENECK APPENDAGE
PROTEIN

(Bacillus virus
phi29) 		PF11962
(Peptidase_G2)
PF12708
(Pectate_lyase_3) 		4 HIS A 286
GLY A 314
SER A 315
GLU A 310
 None
None
None
NA  A   1 ( 3.5A)
 0.93A 4hyfA-3gq9A:
undetectable		 4hyfA-3gq9A:
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.
3h5q PYRIMIDINE-NUCLEOSID
E PHOSPHORYLASE

(Staphylococcus
aureus) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		4 HIS A 116
GLY A 355
ALA A 363
SER A 358
 None
 0.77A 4hyfA-3h5qA:
undetectable		 4hyfA-3h5qA:
20.74
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.
3hka URONATE ISOMERASE

(Bacillus
halodurans) 		no annotation 4 GLY A 237
TYR A 178
SER A 234
GLU A 179
 None
 0.82A 4hyfA-3hkaA:
undetectable		 4hyfA-3hkaA:
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.
3hkv POLY [ADP-RIBOSE]
POLYMERASE 10

(Homo sapiens) 		PF00644
(PARP) 		6 HIS A 887
GLY A 888
TYR A 919
ALA A 921
SER A 927
TYR A 932
 3AB  A1025 (-3.8A)
3AB  A1025 (-3.5A)
3AB  A1025 (-4.4A)
3AB  A1025 ( 3.9A)
3AB  A1025 (-2.8A)
3AB  A1025 (-3.7A)
 0.48A 4hyfA-3hkvA:
19.0		 4hyfA-3hkvA:
24.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3khz PUTATIVE DIPEPTIDASE
SACOL1801

(Staphylococcus
aureus) 		PF01546
(Peptidase_M20) 		4 GLY A 212
ALA A 279
SER A 211
GLU A 264
 None
 0.83A 4hyfA-3khzA:
undetectable		 4hyfA-3khzA:
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.
3ki6 CHOLIX TOXIN

(Vibrio cholerae) 		PF09009
(Exotox-A_cataly) 		6 HIS A 460
GLY A 461
TYR A 493
ALA A 495
TYR A 504
GLU A 581
 G9L  A   1 (-3.9A)
G9L  A   1 (-3.7A)
G9L  A   1 (-4.5A)
G9L  A   1 (-3.4A)
G9L  A   1 (-3.5A)
G9L  A   1 (-4.6A)
 0.59A 4hyfA-3ki6A:
5.8		 4hyfA-3ki6A:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kst ENDO-1,4-BETA-XYLANA
SE

(Bacteroides
thetaiotaomicron) 		PF04616
(Glyco_hydro_43) 		4 HIS A 275
GLY A 215
TYR A 234
SER A 230
 CA  A 400 (-3.7A)
CA  A 400 ( 4.8A)
None
None
 0.93A 4hyfA-3kstA:
undetectable		 4hyfA-3kstA:
17.20
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.
3mn8 LP15968P

(Drosophila
melanogaster) 		PF00246
(Peptidase_M14)
PF13620
(CarboxypepD_reg) 		5 GLY A 102
TYR A  40
SER A 151
TYR A 148
GLU A 153
 None
 1.48A 4hyfA-3mn8A:
undetectable		 4hyfA-3mn8A:
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.
3oou LIN2118 PROTEIN

(Listeria
innocua) 		PF12833
(HTH_18) 		4 GLY A  78
ALA A  62
SER A  80
TYR A  82
 None
 0.84A 4hyfA-3oouA:
undetectable		 4hyfA-3oouA:
21.46
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.
3prv NUCLEOSIDE
DIPHOSPHATE KINASE

(Trypanosoma
cruzi) 		PF00334
(NDK) 		4 GLY A 118
ALA A 125
SER A 119
GLU A   4
 None
 0.91A 4hyfA-3prvA:
undetectable		 4hyfA-3prvA:
22.62
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.
3q9o EXOTOXIN A

(Vibrio cholerae) 		PF09009
(Exotox-A_cataly)
PF09101
(Exotox-A_bind)
PF09102
(Exotox-A_target) 		6 HIS A 460
GLY A 461
TYR A 493
ALA A 495
TYR A 504
GLU A 581
 NAD  A 700 (-3.8A)
NAD  A 700 (-3.7A)
NAD  A 700 ( 3.7A)
NAD  A 700 ( 3.9A)
NAD  A 700 (-3.4A)
NAD  A 700 (-3.2A)
 0.63A 4hyfA-3q9oA:
5.6		 4hyfA-3q9oA:
18.07
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.
3rd5 MYPAA.01249.C

(Mycobacterium
avium) 		PF00106
(adh_short) 		4 HIS A 194
GLY A 196
ALA A 139
TYR A 253
 None
 0.93A 4hyfA-3rd5A:
undetectable		 4hyfA-3rd5A:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s5w L-ORNITHINE
5-MONOOXYGENASE

(Pseudomonas
aeruginosa) 		PF13434
(K_oxygenase) 		4 GLY A 421
ALA A  28
SER A 420
TYR A 424
 None
 0.89A 4hyfA-3s5wA:
undetectable		 4hyfA-3s5wA:
19.87
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.
3t1e HEMAGGLUTININ-NEURAM
INIDASE

(Avian
avulavirus 1) 		PF00423
(HN) 		4 GLY A 467
TYR A 469
ALA A 399
SER A 417
 None
 0.86A 4hyfA-3t1eA:
undetectable		 4hyfA-3t1eA:
20.07
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.
3teb ENDONUCLEASE/EXONUCL
EASE/PHOSPHATASE

(Leptotrichia
buccalis) 		PF03372
(Exo_endo_phos) 		4 GLY A 180
TYR A 185
ALA A 183
GLU A 186
 None
 0.91A 4hyfA-3tebA:
undetectable		 4hyfA-3tebA:
20.27
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.
3ut2 CATALASE-PEROXIDASE
2

(Magnaporthe
oryzae) 		PF00141
(peroxidase) 		4 GLY A 734
ALA A 737
SER A 735
GLU A 649
 None
 0.90A 4hyfA-3ut2A:
undetectable		 4hyfA-3ut2A:
17.38
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.
3zyy IRON-SULFUR CLUSTER
BINDING PROTEIN

(Carboxydothermus
hydrogenoformans) 		PF00111
(Fer2)
PF14574
(DUF4445) 		4 GLY X 360
ALA X 541
SER X 573
TYR X 363
 None
 0.81A 4hyfA-3zyyX:
undetectable		 4hyfA-3zyyX:
17.09
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.
4ae0 DIPHTHERIA TOXIN

(Corynebacterium
diphtheriae) 		PF01324
(Diphtheria_R)
PF02763
(Diphtheria_C)
PF02764
(Diphtheria_T) 		5 HIS A  21
GLY A  22
TYR A  54
TYR A  65
GLU A 148
 None
 0.80A 4hyfA-4ae0A:
5.5		 4hyfA-4ae0A:
18.66
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.
4bht NADP-SPECIFIC
GLUTAMATE
DEHYDROGENASE

(Escherichia
coli) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		4 GLY A 126
ALA A  87
SER A  85
TYR A  91
 None
 0.85A 4hyfA-4bhtA:
undetectable		 4hyfA-4bhtA:
16.74
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.
4c3y 3-KETOSTEROID
DEHYDROGENASE

(Rhodococcus
erythropolis) 		PF00890
(FAD_binding_2) 		4 GLY A  22
TYR A 473
ALA A 475
SER A 501
 None
 0.89A 4hyfA-4c3yA:
undetectable		 4hyfA-4c3yA:
20.26
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.
4eay MANNONATE
DEHYDRATASE

(Escherichia
coli) 		PF03786
(UxuA) 		4 GLY A   9
ALA A  30
TYR A   8
GLU A  63
 None
None
None
CS2  A 402 (-3.6A)
 0.83A 4hyfA-4eayA:
undetectable		 4hyfA-4eayA:
21.11
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.
4eq5 DNA LIGASE

(Thermococcus
sibiricus) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		4 GLY A 464
TYR A 466
ALA A 551
GLU A 549
 None
 0.87A 4hyfA-4eq5A:
undetectable		 4hyfA-4eq5A:
18.80
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.
4f0d POLY [ADP-RIBOSE]
POLYMERASE 16

(Homo sapiens) 		PF00644
(PARP) 		4 HIS A 152
GLY A 153
TYR A 182
TYR A 193
 3AB  A 301 (-4.0A)
3AB  A 301 (-3.4A)
3AB  A 301 (-4.3A)
3AB  A 301 (-3.8A)
 0.60A 4hyfA-4f0dA:
10.2		 4hyfA-4f0dA:
23.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4f0e POLY [ADP-RIBOSE]
POLYMERASE 15

(Homo sapiens) 		PF00644
(PARP) 		6 HIS A 537
GLY A 538
TYR A 569
ALA A 571
SER A 577
TYR A 582
 0RU  A 701 (-3.7A)
0RU  A 701 (-3.3A)
0RU  A 701 (-4.3A)
None
0RU  A 701 (-3.5A)
0RU  A 701 (-3.7A)
 0.61A 4hyfA-4f0eA:
19.9		 4hyfA-4f0eA:
30.53
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.
4fdy SIMILAR TO
LIPOPROTEIN, NLP/P60
FAMILY

(Staphylococcus
aureus) 		PF00877
(NLPC_P60)
PF13702
(Lysozyme_like) 		4 GLY A 193
TYR A 190
ALA A 161
GLU A 162
 None
 0.93A 4hyfA-4fdyA:
undetectable		 4hyfA-4fdyA:
19.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fzh HEMAGGLUTININ-NEURAM
INIDASE

(Avian
avulavirus 1) 		PF00423
(HN) 		4 GLY A 468
TYR A 470
ALA A 400
SER A 418
 None
 0.91A 4hyfA-4fzhA:
undetectable		 4hyfA-4fzhA:
19.55
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.
4hpe PUTATIVE CELL WALL
HYDROLASE
TN916-LIKE,CTN1-ORF1
7

(Clostridioides
difficile) 		PF00877
(NLPC_P60)
PF13702
(Lysozyme_like) 		4 GLY A 141
TYR A 147
SER A 137
TYR A 140
 None
 0.86A 4hyfA-4hpeA:
undetectable		 4hyfA-4hpeA:
21.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4l2k TANKYRASE-2

(Homo sapiens) 		PF00644
(PARP) 		6 HIS A1031
GLY A1032
TYR A1060
ALA A1062
SER A1068
TYR A1071
 1V8  A1201 (-4.2A)
1V8  A1201 (-3.7A)
1V8  A1201 (-4.7A)
1V8  A1201 (-3.6A)
1V8  A1201 (-2.7A)
1V8  A1201 (-3.3A)
 0.41A 4hyfA-4l2kA:
22.5		 4hyfA-4l2kA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4oa7 TANKYRASE-1

(Homo sapiens) 		PF00644
(PARP) 		7 HIS A1184
GLY A1185
TYR A1213
ALA A1215
SER A1221
TYR A1224
GLU A1291
 2XS  A1402 (-4.2A)
None
2XS  A1402 (-4.2A)
None
None
2XS  A1402 ( 3.9A)
None
 0.50A 4hyfA-4oa7A:
34.0		 4hyfA-4oa7A:
79.41
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.
4oqa POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo sapiens) 		PF00644
(PARP)
PF02877
(PARP_reg)
PF05406
(WGR) 		7 HIS C 862
GLY C 863
TYR C 896
ALA C 898
SER C 904
TYR C 907
GLU C 988
 2US  C1101 (-3.7A)
2US  C1101 (-3.3A)
2US  C1101 (-4.2A)
2US  C1101 (-3.5A)
2US  C1101 (-3.4A)
2US  C1101 (-3.5A)
2US  C1101 (-3.2A)
 0.66A 4hyfA-4oqaC:
19.7		 4hyfA-4oqaC:
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.
4py4 POLY [ADP-RIBOSE]
POLYMERASE 14

(Homo sapiens) 		PF00644
(PARP) 		6 HIS A1682
GLY A1683
TYR A1714
ALA A1716
SER A1722
TYR A1727
 XL2  A1901 (-4.0A)
XL2  A1901 (-3.6A)
XL2  A1901 (-3.7A)
XL2  A1901 (-3.4A)
XL2  A1901 (-2.6A)
XL2  A1901 (-3.6A)
 0.55A 4hyfA-4py4A:
17.7		 4hyfA-4py4A:
26.53
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.
4rnz CONSERVED
HYPOTHETICAL
SECRETED PROTEIN

(Helicobacter
pylori) 		PF01551
(Peptidase_M23) 		4 HIS A 268
GLY A 269
ALA A 266
SER A 270
 None
 0.80A 4hyfA-4rnzA:
undetectable		 4hyfA-4rnzA:
21.60
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.
4uoh NUCLEOSIDE
DIPHOSPHATE KINASE

(Litopenaeus
vannamei) 		PF00334
(NDK) 		4 GLY A 118
ALA A 125
SER A 119
GLU A   4
 None
 0.91A 4hyfA-4uohA:
undetectable		 4hyfA-4uohA:
20.08
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.
4xmv AMINOPEPTIDASE N

(Escherichia
coli) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		5 HIS A 672
GLY A 335
ALA A 611
SER A 336
GLU A 615
 GOL  A 916 (-4.1A)
GOL  A 916 ( 3.5A)
GOL  A 916 ( 4.2A)
None
None
 1.37A 4hyfA-4xmvA:
undetectable		 4hyfA-4xmvA:
13.18
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.
4yiv APICAL MEMBRANE
ANTIGEN AMA1

(Toxoplasma
gondii) 		PF02430
(AMA-1) 		4 GLY A 372
TYR A 374
SER A 402
TYR A 403
 None
 0.76A 4hyfA-4yivA:
undetectable		 4hyfA-4yivA:
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.
4zv4 ELONGATION FACTOR TU

(Pseudomonas
aeruginosa) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		4 GLY A  41
TYR A  70
ALA A  44
SER A  37
 None
 0.78A 4hyfA-4zv4A:
undetectable		 4hyfA-4zv4A:
19.27
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.
4zxl O-GLCNACASE NAGJ

(Clostridium
perfringens) 		PF02838
(Glyco_hydro_20b)
PF07555
(NAGidase) 		4 GLY A 564
ALA A 616
SER A 568
GLU A 615
 None
 0.92A 4hyfA-4zxlA:
undetectable		 4hyfA-4zxlA:
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.
4zzy POLY [ADP-RIBOSE]
POLYMERASE 2

(Homo sapiens) 		PF00644
(PARP)
PF02877
(PARP_reg) 		7 HIS A 428
GLY A 429
TYR A 462
ALA A 464
SER A 470
TYR A 473
GLU A 558
 D7N  A1584 (-3.6A)
D7N  A1584 (-3.8A)
D7N  A1584 (-3.7A)
D7N  A1584 (-3.2A)
D7N  A1584 (-2.7A)
D7N  A1584 (-3.8A)
D7N  A1584 (-3.9A)
 0.64A 4hyfA-4zzyA:
19.5		 4hyfA-4zzyA:
22.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dcz TANKYRASE-2

(Homo sapiens) 		PF00644
(PARP) 		6 HIS A1031
GLY A1032
ALA A1062
SER A1068
TYR A1071
GLU A1138
 59B  A1203 (-4.1A)
59B  A1203 (-4.1A)
59B  A1203 (-3.5A)
59B  A1203 (-2.8A)
59B  A1203 (-3.3A)
59B  A1203 (-3.7A)
 0.90A 4hyfA-5dczA:
32.9		 4hyfA-5dczA:
96.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dcz TANKYRASE-2

(Homo sapiens) 		PF00644
(PARP) 		6 HIS A1031
GLY A1032
TYR A1060
ALA A1062
SER A1068
TYR A1071
 59B  A1203 (-4.1A)
59B  A1203 (-4.1A)
59B  A1203 (-4.3A)
59B  A1203 (-3.5A)
59B  A1203 (-2.8A)
59B  A1203 (-3.3A)
 0.44A 4hyfA-5dczA:
32.9		 4hyfA-5dczA:
96.48
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.
5dsy POLY [ADP-RIBOSE]
POLYMERASE 2

(Homo sapiens) 		PF00644
(PARP) 		7 HIS A 415
GLY A 416
TYR A 449
ALA A 451
SER A 457
TYR A 460
GLU A 545
 UHB  A1001 (-3.7A)
UHB  A1001 (-3.9A)
UHB  A1001 (-3.8A)
UHB  A1001 ( 4.1A)
UHB  A1001 (-2.5A)
UHB  A1001 (-3.4A)
UHB  A1001 (-3.5A)
 0.61A 4hyfA-5dsyA:
19.5		 4hyfA-5dsyA:
29.11
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.
5e6s INTEGRIN ALPHA-L

(Homo sapiens) 		PF00092
(VWA)
PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		4 GLY A 494
ALA A 525
TYR A 491
GLU A 545
 None
 0.88A 4hyfA-5e6sA:
undetectable		 4hyfA-5e6sA:
14.93
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.
5inf CARBOXYL TRANSFERASE

(Streptomyces
ambofaciens) 		PF01039
(Carboxyl_trans) 		4 GLY A  87
TYR A  84
ALA A  35
GLU A  30
 None
 0.86A 4hyfA-5infA:
undetectable		 4hyfA-5infA:
17.47
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.
5j5u RAGB/SUSD DOMAIN
PROTEIN

(Flavobacterium
johnsoniae) 		PF12771
(SusD-like_2) 		5 GLY A 376
TYR A 370
ALA A 379
SER A 377
GLU A 420
 None
 1.27A 4hyfA-5j5uA:
undetectable		 4hyfA-5j5uA:
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.
5j7z PUTATIVE SECRETED
ENDOGLYCOSYLCERAMIDA
SE

(Rhodococcus
hoagii) 		PF00150
(Cellulase) 		4 GLY A  48
ALA A 391
TYR A  47
GLU A 422
 None
 0.93A 4hyfA-5j7zA:
undetectable		 4hyfA-5j7zA:
19.16
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.
5lx6 POLY [ADP-RIBOSE]
POLYMERASE 10

(Homo sapiens) 		PF00644
(PARP) 		6 HIS A 887
GLY A 888
TYR A 919
ALA A 921
SER A 927
TYR A 932
 78P  A1101 (-4.0A)
78P  A1101 (-3.7A)
78P  A1101 (-3.7A)
78P  A1101 ( 4.2A)
78P  A1101 (-2.8A)
78P  A1101 (-3.8A)
 0.52A 4hyfA-5lx6A:
18.9		 4hyfA-5lx6A:
25.56
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.
5m11 IMMUNOREACTIVE 84KD
ANTIGEN PG93

(Porphyromonas
gingivalis) 		no annotation 4 GLY A 231
ALA A 266
SER A 249
GLU A 267
 None
 0.81A 4hyfA-5m11A:
undetectable		 4hyfA-5m11A:
15.30
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.
5swc CARBONIC ANHYDRASE

(Synechocystis
sp. PCC 6803) 		PF00484
(Pro_CA) 		4 GLY A 181
ALA A 152
TYR A 194
GLU A 153
 None
 0.92A 4hyfA-5swcA:
undetectable		 4hyfA-5swcA:
25.45
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.
5u2i NUCLEOSIDE
DIPHOSPHATE KINASE

(Naegleria
fowleri) 		PF00334
(NDK) 		4 GLY A 118
ALA A 125
SER A 119
GLU A   4
 None
 0.92A 4hyfA-5u2iA:
undetectable		 4hyfA-5u2iA:
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.
5uvk C-PHYCOCYANIN ALPHA
CHAIN

(Thermosynechococcus
elongatus) 		PF00502
(Phycobilisome) 		4 HIS A 140
GLY A 141
ALA A  43
GLU A  39
 None
 0.84A 4hyfA-5uvkA:
undetectable		 4hyfA-5uvkA:
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.
5ve8 KAP123

(Kluyveromyces
lactis) 		no annotation 4 GLY A 704
SER A 702
TYR A 703
GLU A 628
 None
 0.82A 4hyfA-5ve8A:
undetectable		 4hyfA-5ve8A:
12.45
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.
5xst POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo sapiens) 		no annotation 7 HIS A 201
GLY A 202
TYR A 235
ALA A 237
SER A 243
TYR A 246
GLU A 327
 8E6  A 401 (-3.5A)
8E6  A 401 (-3.9A)
8E6  A 401 (-4.1A)
8E6  A 401 (-3.5A)
8E6  A 401 (-2.6A)
8E6  A 401 (-3.4A)
8E6  A 401 (-3.9A)
 0.58A 4hyfA-5xstA:
20.1		 4hyfA-5xstA:
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.
5y0m -

(-) 		no annotation 4 GLY A  71
TYR A 156
ALA A 116
GLU A 115
 None
 0.93A 4hyfA-5y0mA:
undetectable		 4hyfA-5y0mA:
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.
5yfb DIPEPTIDYL PEPTIDASE
3

(Armillaria
tabescens) 		no annotation 4 GLY A 318
TYR A 313
ALA A 321
GLU A 311
 None
None
None
GOL  A 804 (-3.1A)
 0.83A 4hyfA-5yfbA:
undetectable		 4hyfA-5yfbA:
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.
6bhv POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo sapiens) 		no annotation 7 HIS A 862
GLY A 863
TYR A 896
ALA A 898
SER A 904
TYR A 907
GLU A 988
 DQV  A1101 (-3.6A)
DQV  A1101 (-3.8A)
DQV  A1101 (-3.5A)
DQV  A1101 ( 4.1A)
DQV  A1101 (-2.7A)
DQV  A1101 (-3.7A)
DQV  A1101 (-3.3A)
 0.54A 4hyfA-6bhvA:
20.1		 4hyfA-6bhvA:
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.
6ei3 PROTON-DEPENDENT
OLIGOPEPTIDE
TRANSPORTER FAMILY
PROTEIN

(Xanthomonas
campestris) 		no annotation 4 HIS A 105
GLY A 191
ALA A 109
GLU A 112
 None
 0.93A 4hyfA-6ei3A:
undetectable		 4hyfA-6ei3A:
17.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eot DIPEPTIDYL PEPTIDASE
8

(Homo sapiens) 		no annotation 4 HIS A 752
GLY A 753
ALA A 775
SER A 761
 None
 0.87A 4hyfA-6eotA:
undetectable		 4hyfA-6eotA:
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.
6esl BACTERIAL LEUCYL
AMINOPEPTIDASE

(Legionella
pneumophila) 		no annotation 4 GLY A 315
ALA A 322
TYR A 316
GLU A 326
 None
 0.92A 4hyfA-6eslA:
undetectable		 4hyfA-6eslA:
undetectable