SIMILAR PATTERNS OF AMINO ACIDS FOR 6AWO_A_SREA701

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.
1ak2 ADENYLATE KINASE
ISOENZYME-2

(Bos taurus) 		PF00406
(ADK)
PF05191
(ADK_lid) 		5 ALA A 210
ILE A 211
GLY A  28
PHE A 129
SER A 214
 None
None
SO4  A 301 (-3.4A)
None
None
 1.28A 6awoA-1ak2A:
0.0		 6awoA-1ak2A:
18.55
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.
1b33 ALLOPHYCOCYANIN,
ALPHA CHAIN

(Mastigocladus
laminosus) 		PF00502
(Phycobilisome) 		5 TYR A  87
ASP A  83
ALA A 160
ILE A 122
GLY A 107
 BLA  A 201 (-4.2A)
BLA  A 201 (-2.8A)
None
None
BLA  A 201 ( 4.0A)
 1.08A 6awoA-1b33A:
undetectable		 6awoA-1b33A:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1biy LACTOFERRIN

(Bubalus bubalis) 		PF00405
(Transferrin) 		5 ASP A 315
ALA A  79
ILE A 310
GLY A 321
SER A 316
 None
 1.25A 6awoA-1biyA:
0.0		 6awoA-1biyA:
22.60
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.
1bt2 PROTEIN (CATECHOL
OXIDASE)

(Ipomoea batatas) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		5 TYR A 296
ASP A 295
ALA A 304
ILE A 320
GLY A 219
 None
 1.23A 6awoA-1bt2A:
0.0		 6awoA-1bt2A:
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.
1e6y METHYL-COENZYME M
REDUCTASE I BETA
SUBUNIT

(Methanosarcina
barkeri) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		5 ILE B2200
GLY B2174
PHE B2417
SER B2410
GLY B2414
 None
 1.34A 6awoA-1e6yB:
0.0		 6awoA-1e6yB:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1glo CATHEPSIN S

(Homo sapiens) 		PF00112
(Peptidase_C1) 		5 ASP A  87
ALA A  30
PHE A  28
SER A  47
GLY A  32
 None
 1.36A 6awoA-1gloA:
undetectable		 6awoA-1gloA:
17.80
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.
1gqj ALPHA-D-GLUCURONIDAS
E

(Cellvibrio
japonicus) 		PF03648
(Glyco_hydro_67N)
PF07477
(Glyco_hydro_67C)
PF07488
(Glyco_hydro_67M) 		5 ALA A 118
PHE A 129
GLY A 201
SER A 148
GLY A 100
 None
None
EDO  A1713 ( 4.3A)
EDO  A1715 (-3.5A)
None
 1.36A 6awoA-1gqjA:
1.7		 6awoA-1gqjA:
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.
1iq7 OVOTRANSFERRIN

(Gallus gallus) 		PF00405
(Transferrin) 		5 ASP A 481
ALA A 457
PHE A 484
GLY A 487
GLY A 491
 None
 1.27A 6awoA-1iq7A:
undetectable		 6awoA-1iq7A:
19.01
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.
1jdz 5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE

(Sulfolobus
solfataricus) 		PF01048
(PNP_UDP_1) 		5 ASP A 232
ALA A 198
ILE A  85
GLY A 226
SER A 141
 None
 1.31A 6awoA-1jdzA:
0.0		 6awoA-1jdzA:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l1l RIBONUCLEOSIDE
TRIPHOSPHATE
REDUCTASE

(Lactobacillus
leichmannii) 		PF02867
(Ribonuc_red_lgC) 		5 ALA A 298
GLY A 164
PHE A 165
SER A 353
GLY A 326
 None
 0.94A 6awoA-1l1lA:
0.0		 6awoA-1l1lA:
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.
1l5j ACONITATE HYDRATASE
2

(Escherichia
coli) 		PF00330
(Aconitase)
PF06434
(Aconitase_2_N)
PF11791
(Aconitase_B_N) 		5 ILE A 764
PHE A 717
GLY A 721
PHE A 757
GLY A 758
 None
 1.35A 6awoA-1l5jA:
undetectable		 6awoA-1l5jA:
20.55
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.
1mty METHANE
MONOOXYGENASE
HYDROXYLASE

(Methylococcus
capsulatus) 		PF02332
(Phenol_Hydrox) 		5 ALA D 119
ILE D 118
PHE B 181
GLY B 183
GLY D 122
 None
 1.29A 6awoA-1mtyD:
undetectable		 6awoA-1mtyD:
20.47
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.
1mum 2-METHYLISOCITRATE
LYASE

(Escherichia
coli) 		PF13714
(PEP_mutase) 		5 ALA A 239
GLY A  52
PHE A 240
SER A  45
GLY A  24
 None
 1.36A 6awoA-1mumA:
undetectable		 6awoA-1mumA:
19.67
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.
1mz5 SIALIDASE

(Trypanosoma
rangeli) 		PF13385
(Laminin_G_3)
PF13859
(BNR_3) 		5 ASP A 214
ALA A 183
ILE A 101
GLY A 189
SER A 211
 None
 1.22A 6awoA-1mz5A:
undetectable		 6awoA-1mz5A:
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.
1obb ALPHA-GLUCOSIDASE

(Thermotoga
maritima) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		5 TYR A 218
ASP A 222
ALA A 246
ILE A 247
GLY A 254
 None
 1.33A 6awoA-1obbA:
undetectable		 6awoA-1obbA:
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.
1ofe FERREDOXIN-DEPENDENT
GLUTAMATE SYNTHASE 2

(Synechocystis
sp. PCC 6803) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		5 TYR A 956
ALA A 941
ILE A 942
GLY A 905
GLY A 960
 None
 1.27A 6awoA-1ofeA:
undetectable		 6awoA-1ofeA:
16.41
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.
1qyd PINORESINOL-LARICIRE
SINOL REDUCTASE

(Thuja plicata) 		PF05368
(NmrA) 		5 ASP A 137
PHE A 135
GLY A 131
SER A  90
GLY A  87
 None
 1.33A 6awoA-1qydA:
undetectable		 6awoA-1qydA:
18.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t0p INTEGRIN ALPHA-L

(Homo sapiens) 		PF00092
(VWA) 		5 ASP A 249
ALA A 211
ILE A 212
GLY A 246
PHE A 209
 None
 1.34A 6awoA-1t0pA:
undetectable		 6awoA-1t0pA:
15.86
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.
1um7 SYNAPSE-ASSOCIATED
PROTEIN 102

(Homo sapiens) 		PF00595
(PDZ) 		5 ALA A  95
ILE A  64
GLY A  29
PHE A  30
SER A  44
 None
 1.24A 6awoA-1um7A:
undetectable		 6awoA-1um7A:
12.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v5f PYRUVATE OXIDASE

(Aerococcus
viridans) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ASP A  95
ALA A 129
PHE A 414
GLY A  88
GLY A 157
 None
 1.35A 6awoA-1v5fA:
undetectable		 6awoA-1v5fA:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w85 PYRUVATE
DEHYDROGENASE E1
COMPONENT, ALPHA
SUBUNIT
PYRUVATE
DEHYDROGENASE E1
COMPONENT, BETA
SUBUNIT

(Geobacillus
stearothermophilus) 		PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 ALA A 152
PHE A 181
GLY A 145
SER B  60
GLY B  64
 None
None
None
MG  B1326 ( 4.7A)
None
 1.08A 6awoA-1w85A:
undetectable		 6awoA-1w85A:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wu2 MOLYBDOPTERIN
BIOSYNTHESIS MOEA
PROTEIN

(Pyrococcus
horikoshii) 		PF00994
(MoCF_biosynth)
PF03453
(MoeA_N)
PF03454
(MoeA_C) 		5 ALA A 305
PHE A 294
GLY A 288
PHE A 287
GLY A 284
 None
 1.26A 6awoA-1wu2A:
undetectable		 6awoA-1wu2A:
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.
1xp3 ENDONUCLEASE IV

(Bacillus
anthracis) 		PF01261
(AP_endonuc_2) 		5 ALA A 163
ILE A 162
PHE A 179
PHE A 202
SER A 176
 None
 1.36A 6awoA-1xp3A:
undetectable		 6awoA-1xp3A:
19.82
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.
1yi7 BETA-XYLOSIDASE,
FAMILY 43 GLYCOSYL
HYDROLASE

(Clostridium
acetobutylicum) 		PF04616
(Glyco_hydro_43) 		5 TYR A  25
ASP A  45
ALA A 263
ILE A 292
SER A  43
 None
 1.32A 6awoA-1yi7A:
undetectable		 6awoA-1yi7A:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yif BETA-1,4-XYLOSIDASE

(Bacillus
subtilis) 		PF04616
(Glyco_hydro_43) 		5 TYR A  24
ASP A  44
ALA A 262
ILE A 291
SER A  42
 None
 1.32A 6awoA-1yifA:
undetectable		 6awoA-1yifA:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yrz XYLAN
BETA-1,4-XYLOSIDASE

(Bacillus
halodurans) 		PF04616
(Glyco_hydro_43) 		5 TYR A1026
ASP A1046
ALA A1264
ILE A1284
SER A1044
 None
 1.25A 6awoA-1yrzA:
undetectable		 6awoA-1yrzA:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cx9 ACYL-COA
DEHYDROGENASE

(Thermus
thermophilus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 ALA A 282
ILE A 281
PHE A 277
GLY A 278
GLY A 273
 None
 1.34A 6awoA-2cx9A:
undetectable		 6awoA-2cx9A:
22.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d3i OVOTRANSFERRIN

(Gallus gallus) 		PF00405
(Transferrin) 		5 ASP A 481
ALA A 457
PHE A 484
GLY A 487
GLY A 491
 None
 1.28A 6awoA-2d3iA:
undetectable		 6awoA-2d3iA:
21.16
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.
2i00 ACETYLTRANSFERASE,
GNAT FAMILY

(Enterococcus
faecalis) 		PF13527
(Acetyltransf_9)
PF13530
(SCP2_2) 		5 ALA A 279
ILE A 287
GLY A 270
PHE A 152
SER A 290
 None
 1.36A 6awoA-2i00A:
undetectable		 6awoA-2i00A:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2inc TOLUENE, O-XYLENE
MONOOXYGENASE
OXYGENASE SUBUNIT

(Pseudomonas
stutzeri) 		PF02332
(Phenol_Hydrox)
PF04945
(YHS) 		5 TYR A  47
ASP A  48
ALA A 235
GLY A 122
GLY A 238
 None
 1.34A 6awoA-2incA:
undetectable		 6awoA-2incA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nv4 UPF0066 PROTEIN
AF_0241

(Archaeoglobus
fulgidus) 		PF01980
(UPF0066) 		5 ASP A 120
ALA A  33
ILE A  32
GLY A  41
GLY A   7
 None
 1.05A 6awoA-2nv4A:
undetectable		 6awoA-2nv4A:
11.62
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.
2rkq PEPTIDOGLYCAN-RECOGN
ITION PROTEIN-SD

(Drosophila
melanogaster) 		PF01510
(Amidase_2) 		5 ALA A 162
GLY A 113
PHE A 115
SER A 158
GLY A 160
 None
 1.25A 6awoA-2rkqA:
undetectable		 6awoA-2rkqA:
13.53
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.
2xdq LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N

(Thermosynechococcus
elongatus) 		PF00148
(Oxidored_nitro) 		5 ALA A 134
ILE A 104
GLY A 138
SER A  25
GLY A 146
 None
None
SF4  A 602 (-3.6A)
None
None
 1.32A 6awoA-2xdqA:
undetectable		 6awoA-2xdqA:
21.05
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.
3bv8 TETRAHYDRODIPICOLINA
TE ACETYLTRANSFERASE

(Staphylococcus
aureus) 		PF08503
(DapH_N) 		5 ILE A  51
PHE A  69
GLY A  29
PHE A  31
GLY A  44
 None
 1.34A 6awoA-3bv8A:
undetectable		 6awoA-3bv8A:
11.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c2u XYLOSIDASE/ARABINOSI
DASE

(Selenomonas
ruminantium) 		PF04616
(Glyco_hydro_43)
PF07081
(DUF1349) 		5 TYR A  24
ASP A  44
ALA A 262
ILE A 294
SER A  42
 None
 1.28A 6awoA-3c2uA:
undetectable		 6awoA-3c2uA:
19.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dr2 EXPORTED
GLUCONOLACTONASE

(Xanthomonas
campestris) 		PF08450
(SGL) 		5 ASP A 242
ALA A 234
ILE A 217
GLY A 239
SER A 255
 CA  A 707 (-3.2A)
None
None
None
None
 1.30A 6awoA-3dr2A:
undetectable		 6awoA-3dr2A:
18.51
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.
3dy5 ALLENE OXIDE
SYNTHASE-LIPOXYGENAS
E PROTEIN

(Plexaura
homomalla) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		5 ALA A 713
ILE A 714
PHE A 609
GLY A 606
PHE A 701
 None
 1.35A 6awoA-3dy5A:
undetectable		 6awoA-3dy5A:
20.47
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.
3grf ORNITHINE
CARBAMOYLTRANSFERASE

(Giardia
intestinalis) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 ALA A 150
PHE A 158
GLY A 157
PHE A 154
GLY A 152
 None
 1.37A 6awoA-3grfA:
undetectable		 6awoA-3grfA:
19.18
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.
3hyv SULFIDE-QUINONE
REDUCTASE

(Aquifex
aeolicus) 		PF07992
(Pyr_redox_2) 		5 ALA A  16
PHE A  41
GLY A  40
PHE A  39
GLY A  14
 None
 1.28A 6awoA-3hyvA:
undetectable		 6awoA-3hyvA:
22.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3loo ANOPHELES GAMBIAE
ADENOSINE KINASE

(Anopheles
gambiae) 		PF00294
(PfkB) 		5 ASP A 300
ALA A 102
GLY A  13
PHE A  85
SER A  69
 B4P  A 349 (-3.4A)
None
CL  A 351 ( 3.7A)
None
None
 1.32A 6awoA-3looA:
undetectable		 6awoA-3looA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n92 ALPHA-AMYLASE, GH57
FAMILY

(Thermococcus
kodakarensis) 		PF03065
(Glyco_hydro_57)
PF09210
(DUF1957) 		5 ALA A 162
ILE A 161
GLY A 178
SER A 141
GLY A 164
 None
 1.23A 6awoA-3n92A:
1.8		 6awoA-3n92A:
20.23
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.
3nyi FAT ACID-BINDING
PROTEIN

(Eubacterium
ventriosum) 		PF02645
(DegV) 		5 ASP A 262
ALA A 159
ILE A 287
SER A 236
GLY A 285
 None
 1.35A 6awoA-3nyiA:
undetectable		 6awoA-3nyiA:
22.30
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.
3pxx CARVEOL
DEHYDROGENASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		5 ASP A 124
ALA A 157
PHE A 117
GLY A 171
GLY A 153
 None
 1.27A 6awoA-3pxxA:
undetectable		 6awoA-3pxxA:
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.
3qsg NAD-BINDING
PHOSPHOGLUCONATE
DEHYDROGENASE-LIKE
PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF03807
(F420_oxidored)
PF09130
(DUF1932) 		5 ALA A  14
ILE A  15
PHE A 148
GLY A 152
GLY A 129
 None
 1.34A 6awoA-3qsgA:
undetectable		 6awoA-3qsgA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sql GLYCOSYL HYDROLASE
FAMILY 3

(Synechococcus
sp. PCC 7002) 		PF00933
(Glyco_hydro_3) 		5 ALA A 108
PHE A 178
GLY A 175
PHE A 164
GLY A 110
 None
None
None
None
SO4  A 542 (-3.8A)
 1.29A 6awoA-3sqlA:
undetectable		 6awoA-3sqlA:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uai H/ACA
RIBONUCLEOPROTEIN
COMPLEX SUBUNIT 4

(Saccharomyces
cerevisiae) 		PF01472
(PUA)
PF01509
(TruB_N)
PF08068
(DKCLD)
PF16198
(TruB_C_2) 		5 ASP A 273
ALA A 312
ILE A 313
GLY A  45
GLY A 310
 None
 1.24A 6awoA-3uaiA:
undetectable		 6awoA-3uaiA:
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.
3ugk SACCHAROPINE
DEHYDROGENASE [NAD+,
L-LYSINE-FORMING]

(Saccharomyces
cerevisiae) 		PF05222
(AlaDh_PNT_N) 		5 ALA A 257
ILE A 256
PHE A 259
SER A 232
GLY A 234
 None
 0.97A 6awoA-3ugkA:
undetectable		 6awoA-3ugkA:
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.
3vxi DYP

(Bjerkandera
adusta) 		PF04261
(Dyp_perox) 		5 ILE A 117
PHE A 220
GLY A 424
PHE A 112
GLY A 114
 None
 1.16A 6awoA-3vxiA:
undetectable		 6awoA-3vxiA:
20.32
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.
3wvn NON-RIBOSOMAL
PEPTIDE SYNTHETASE

(Streptomyces
halstedii) 		PF00501
(AMP-binding) 		5 ALA A 205
ILE A 209
PHE A 231
GLY A 232
SER A 239
 None
None
ASP  A 601 ( 4.8A)
None
None
 1.24A 6awoA-3wvnA:
undetectable		 6awoA-3wvnA:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3x0y DSZC

(Rhodococcus
erythropolis) 		PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
PF08028
(Acyl-CoA_dh_2) 		5 ALA A 236
ILE A 107
PHE A 250
GLY A 414
PHE A 241
 None
 1.36A 6awoA-3x0yA:
undetectable		 6awoA-3x0yA:
20.86
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.
3zkj ANKYRIN REPEAT AND
SOCS BOX PROTEIN 9

(Homo sapiens) 		PF07525
(SOCS_box)
PF12796
(Ank_2) 		5 ASP A 161
ALA A 155
ILE A 154
GLY A 271
GLY A 157
 None
 1.16A 6awoA-3zkjA:
undetectable		 6awoA-3zkjA:
17.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zyy IRON-SULFUR CLUSTER
BINDING PROTEIN

(Carboxydothermus
hydrogenoformans) 		PF00111
(Fer2)
PF14574
(DUF4445) 		5 ASP X 212
ILE X 357
GLY X 542
SER X 574
GLY X 360
 MG  X 802 ( 4.4A)
None
None
None
None
 1.35A 6awoA-3zyyX:
undetectable		 6awoA-3zyyX:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a0s OCTENOYL-COA
REDUCTASE/CARBOXYLAS
E

(Streptomyces
cinnabarigriseus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ASP A 135
ALA A   6
ILE A  16
GLY A 119
GLY A  10
 None
 1.30A 6awoA-4a0sA:
undetectable		 6awoA-4a0sA:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bsq CATHEPSIN S

(Mus musculus) 		PF00112
(Peptidase_C1) 		5 ASP A 210
ALA A 152
PHE A 150
SER A 169
GLY A 154
 None
 1.30A 6awoA-4bsqA:
undetectable		 6awoA-4bsqA:
16.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dj2 PERIOD CIRCADIAN
PROTEIN HOMOLOG 1

(Mus musculus) 		PF08447
(PAS_3) 		5 ALA A 252
ILE A 231
PHE A 220
GLY A 239
PHE A 249
 None
 1.22A 6awoA-4dj2A:
undetectable		 6awoA-4dj2A:
19.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4exl PHOSPHATE-BINDING
PROTEIN PSTS 1

(Streptococcus
pneumoniae) 		PF12849
(PBP_like_2) 		5 ASP A  86
ALA A  35
GLY A  66
SER A  85
GLY A  83
 None
 1.31A 6awoA-4exlA:
undetectable		 6awoA-4exlA:
17.31
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.
4ftw PHOSPHOLIPASE/CARBOX
YLESTERASE

(Rhodobacter
sphaeroides) 		PF02230
(Abhydrolase_2) 		5 ASP A  81
ALA A 251
PHE A  71
GLY A 163
GLY A 249
 3CM  A 302 (-3.7A)
None
None
None
3CM  A 302 (-3.5A)
 1.30A 6awoA-4ftwA:
undetectable		 6awoA-4ftwA:
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.
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus) 		no annotation 5 ASP A 734
ALA A 684
ILE A 697
GLY A 713
PHE A 673
 None
 1.28A 6awoA-4lgnA:
undetectable		 6awoA-4lgnA:
22.05
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.
4m9d ADENYLOSUCCINATE
SYNTHETASE

(Bacillus
anthracis) 		PF00709
(Adenylsucc_synt) 		5 TYR A 268
ASP A  13
GLY A 293
SER A 270
GLY A 307
 None
EDO  A 503 ( 3.3A)
None
None
None
 1.28A 6awoA-4m9dA:
undetectable		 6awoA-4m9dA:
24.17
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.
4nml RIBULOSE 5-PHOSPHATE
ISOMERASE

(Toxoplasma
gondii) 		PF06026
(Rib_5-P_isom_A) 		5 ASP A  91
ALA A 239
GLY A 233
PHE A 235
GLY A  99
 MLT  A 303 (-4.5A)
None
None
None
None
 1.15A 6awoA-4nmlA:
undetectable		 6awoA-4nmlA:
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.
4opm LIPASE

(Acinetobacter
baumannii) 		PF12697
(Abhydrolase_6) 		5 ALA A 150
ILE A 149
GLY A 171
SER A 144
GLY A 142
 None
None
15P  A 401 (-3.6A)
15P  A 401 (-3.6A)
None
 1.34A 6awoA-4opmA:
undetectable		 6awoA-4opmA:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p1c TOLUENE-4-MONOOXYGEN
ASE SYSTEM PROTEIN A

(Pseudomonas
mendocina) 		PF02332
(Phenol_Hydrox) 		5 TYR A  47
ASP A  48
ALA A 235
GLY A 122
GLY A 238
 None
 1.35A 6awoA-4p1cA:
undetectable		 6awoA-4p1cA:
22.54
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.
4rqo L-SERINE DEHYDRATASE

(Legionella
pneumophila) 		PF03313
(SDH_alpha)
PF03315
(SDH_beta) 		5 ALA A 288
PHE A 152
GLY A 149
SER A  16
GLY A 292
 None
None
None
None
SF4  A 500 ( 4.2A)
 1.34A 6awoA-4rqoA:
undetectable		 6awoA-4rqoA:
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.
4u4i CU/ZN SUPEROXIDE
DISMUTASE

(Megavirus
chiliensis) 		PF00080
(Sod_Cu) 		5 ASP A  60
ALA A 158
ILE A 156
SER A  58
GLY A 122
 None
 1.27A 6awoA-4u4iA:
undetectable		 6awoA-4u4iA:
14.08
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.
4x68 BETA-LACTAMASE

(Pseudomonas
aeruginosa) 		PF00144
(Beta-lactamase) 		5 ASP A 257
ALA A 351
ILE A  88
PHE A 261
SER A 254
 None
 1.18A 6awoA-4x68A:
undetectable		 6awoA-4x68A:
20.35
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.
4xfd NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Pseudomonas
aeruginosa) 		PF02540
(NAD_synthase) 		5 ASP A  56
ALA A  84
ILE A  51
GLY A 166
GLY A  61
 None
 1.26A 6awoA-4xfdA:
1.3		 6awoA-4xfdA:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xgh CITRATE SYNTHASE

(Burkholderia
thailandensis) 		PF00285
(Citrate_synt) 		5 TYR A 183
ALA A 137
PHE A 125
GLY A 128
PHE A 129
 None
SO4  A 505 ( 4.8A)
None
None
None
 1.34A 6awoA-4xghA:
undetectable		 6awoA-4xghA:
21.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xnu INTEGRAL MEMBRANE
PROTEIN-DOPAMINE
TRANSPORTER

(Drosophila
melanogaster) 		PF00209
(SNF) 		7 ASP A  46
ALA A 117
PHE A 319
GLY A 322
PHE A 325
SER A 421
GLY A 425
 41U  A 605 ( 3.3A)
41U  A 605 ( 3.7A)
None
41U  A 605 ( 4.1A)
41U  A 605 ( 4.7A)
NA  A 602 ( 2.4A)
41U  A 605 ( 3.7A)
 0.70A 6awoA-4xnuA:
54.2		 6awoA-4xnuA:
53.25
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.
4y8d NANOBODY

(Lama glama) 		PF07686
(V-set) 		5 ALA C 101
PHE C  34
GLY C  32
PHE C 102
SER C  58
 None
 1.31A 6awoA-4y8dC:
undetectable		 6awoA-4y8dC:
14.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yfm BETA-LACTAMASE

(Mycobacteroides
abscessus) 		PF13354
(Beta-lactamase2) 		5 TYR A  98
ALA A 126
ILE A 109
GLY A 117
GLY A 135
 None
 1.28A 6awoA-4yfmA:
undetectable		 6awoA-4yfmA:
18.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b4c UDP-2,3-DIACYLGLUCOS
AMINE HYDROLASE

(Pseudomonas
aeruginosa) 		PF00149
(Metallophos) 		5 ASP A   8
ALA A  21
ILE A  18
PHE A  42
GLY A 223
 MN  A 301 ( 4.9A)
None
None
None
None
 1.33A 6awoA-5b4cA:
undetectable		 6awoA-5b4cA:
17.15
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.
5cqs ELONGATOR COMPLEX
PROTEIN 1

(Saccharomyces
cerevisiae) 		PF04762
(IKI3) 		5 TYR A1123
ASP A1272
ALA A1289
GLY A1150
GLY A1279
 None
 1.36A 6awoA-5cqsA:
undetectable		 6awoA-5cqsA:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cwa ANTHRANILATE
SYNTHASE COMPONENT 1

(Mycobacterium
tuberculosis) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		5 ALA A 457
ILE A 456
GLY A 474
SER A 417
GLY A 440
 None
None
0GA  A 604 ( 4.4A)
None
None
 1.29A 6awoA-5cwaA:
undetectable		 6awoA-5cwaA:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dgt BENZOYLFORMATE
DECARBOXYLASE

(Pseudomonas
putida) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ALA A 431
ILE A 426
PHE A 405
GLY A 402
GLY A 429
 None
None
None
TZD  A 605 ( 3.8A)
TZD  A 605 (-3.4A)
 1.35A 6awoA-5dgtA:
undetectable		 6awoA-5dgtA:
22.24
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.
5dm6 50S RIBOSOMAL
PROTEIN L21

(Deinococcus
radiodurans) 		PF00829
(Ribosomal_L21p) 		5 ASP O  18
ILE O   5
GLY O  97
SER O  15
GLY O  41
 None
 1.29A 6awoA-5dm6O:
undetectable		 6awoA-5dm6O:
10.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e6s INTEGRIN ALPHA-L

(Homo sapiens) 		PF00092
(VWA)
PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 ASP A 249
ALA A 211
ILE A 212
GLY A 246
PHE A 209
 None
 1.22A 6awoA-5e6sA:
undetectable		 6awoA-5e6sA:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fmg PROTEASOME SUBUNIT
BETA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		5 ALA L 163
ILE L 160
GLY L 190
SER L  18
GLY L 171
 None
 1.28A 6awoA-5fmgL:
undetectable		 6awoA-5fmgL:
15.58
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.
5gv1 ENDO-1,4-BETA-XYLANA
SE

(termite gut
metagenome) 		PF00457
(Glyco_hydro_11) 		5 ALA A  70
ILE A 257
GLY A  84
PHE A  72
GLY A  87
 None
 1.15A 6awoA-5gv1A:
undetectable		 6awoA-5gv1A:
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.
5gyg ENDO-1,4-BETA-XYLANA
SE

(termite gut
metagenome) 		PF00457
(Glyco_hydro_11) 		5 ALA A  70
ILE A 257
GLY A  84
PHE A  72
GLY A  87
 None
 1.17A 6awoA-5gygA:
undetectable		 6awoA-5gygA:
17.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h04 BINARY ENTEROTOXIN
OF CLOSTRIDIUM
PERFRINGENS
COMPONENT A

(Clostridium
perfringens) 		PF03496
(ADPrib_exo_Tox) 		5 ASP A 112
ALA A 202
ILE A 116
GLY A 198
SER A 113
 None
 1.35A 6awoA-5h04A:
undetectable		 6awoA-5h04A:
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.
5ham RICKCE

(Rickettsia
bellii) 		no annotation 5 ASP A 624
GLY A 656
PHE A 631
SER A 626
GLY A 629
 None
 1.08A 6awoA-5hamA:
undetectable		 6awoA-5hamA:
17.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5i6z SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER

(Homo sapiens) 		PF00209
(SNF) 		8 TYR A  95
ASP A  98
ALA A 169
ILE A 172
PHE A 335
GLY A 338
SER A 438
GLY A 442
 None
 0.49A 6awoA-5i6zA:
61.6		 6awoA-5i6zA:
99.82
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.
5ikg DYE-DECOLORIZING
PEROXIDASE

(Auricularia
auricula-judae) 		PF04261
(Dyp_perox) 		5 ILE A 114
PHE A 216
GLY A 430
PHE A 109
GLY A 111
 None
 1.05A 6awoA-5ikgA:
undetectable		 6awoA-5ikgA:
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.
5iwd DNA POLYMERASE
PROCESSIVITY FACTOR

(Human
betaherpesvirus
5) 		PF03325
(Herpes_PAP) 		5 ASP A 147
ALA A 190
ILE A 191
GLY A 213
SER A 210
 None
 1.20A 6awoA-5iwdA:
undetectable		 6awoA-5iwdA:
20.43
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.
5j5d 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE

(Mycobacterium
tuberculosis) 		PF00701
(DHDPS) 		5 TYR A 191
ASP A 144
ALA A 162
GLY A 180
GLY A 169
 None
 1.28A 6awoA-5j5dA:
undetectable		 6awoA-5j5dA:
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.
5jd4 LAE6

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 ALA A  45
PHE A 289
GLY A 287
SER A  40
GLY A  43
 PE3  A 406 ( 4.0A)
None
None
None
None
 1.21A 6awoA-5jd4A:
undetectable		 6awoA-5jd4A:
20.48
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.
5k8f ACETYL-COENZYME A
SYNTHETASE

(Cryptococcus
neoformans) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		5 ALA A  71
PHE A 467
GLY A 468
SER A 499
GLY A 305
 None
 1.23A 6awoA-5k8fA:
undetectable		 6awoA-5k8fA:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kqi CATALASE-PEROXIDASE

(Burkholderia
pseudomallei) 		PF00141
(peroxidase) 		5 ALA A 162
ILE A 163
PHE A 187
GLY A 436
PHE A  72
 None
 1.30A 6awoA-5kqiA:
2.5		 6awoA-5kqiA:
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.
5l56 PLEXIN-A1

(Mus musculus) 		PF01403
(Sema)
PF01437
(PSI)
PF01833
(TIG) 		5 ASP A1108
ILE A1057
PHE A1224
SER A1106
GLY A1061
 None
 1.18A 6awoA-5l56A:
undetectable		 6awoA-5l56A:
18.11
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.
5lf7 PROTEASOME SUBUNIT
BETA TYPE-1

(Homo sapiens) 		PF00227
(Proteasome) 		5 ASP L 169
ALA L  21
ILE L  22
SER L 167
GLY L  17
 None
 1.34A 6awoA-5lf7L:
undetectable		 6awoA-5lf7L:
18.20
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.
5mg5 2,4-DIACETYLPHLOROGL
UCINOL BIOSYNTHESIS
PROTEIN

(Pseudomonas
protegens) 		no annotation 5 ASP B  98
ALA B 103
ILE B 102
GLY B  31
PHE B  42
 None
 1.30A 6awoA-5mg5B:
undetectable		 6awoA-5mg5B:
9.21
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.
5ocp -

(-) 		no annotation 5 ASP A  32
ALA A  54
GLY A   4
PHE A  52
GLY A  56
 None
 1.27A 6awoA-5ocpA:
undetectable		 6awoA-5ocpA:
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.
5oyn DEHYDRATASE,
ILVD/EDD FAMILY

(Caulobacter
vibrioides) 		no annotation 5 ASP A 568
ALA A 506
ILE A 507
GLY A 571
SER A 502
 None
 1.21A 6awoA-5oynA:
undetectable		 6awoA-5oynA:
10.16
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.
5tky PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		PF00012
(HSP70) 		5 ASP A 155
ALA A 509
ILE A 508
GLY A 513
GLY A 462
 None
 1.26A 6awoA-5tkyA:
undetectable		 6awoA-5tkyA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u6b TYROSINE-PROTEIN
KINASE RECEPTOR UFO

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ASP A 731
ALA A 675
PHE A 691
GLY A 692
SER A 734
 None
 1.25A 6awoA-5u6bA:
undetectable		 6awoA-5u6bA:
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.
5uj6 GLYCOSYL HYDROLASES
FAMILY 2, SUGAR
BINDING DOMAIN
PROTEIN

(Bacteroides
uniformis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF11721
(Malectin)
PF16355
(DUF4982) 		5 ASP A 154
ALA A 161
GLY A 171
SER A 113
GLY A 128
 None
 1.16A 6awoA-5uj6A:
undetectable		 6awoA-5uj6A:
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.
5ux5 BIFUNCTIONAL PROTEIN
PROLINE UTILIZATION
A (PUTA)

(Corynebacterium
freiburgense) 		PF00171
(Aldedh)
PF01619
(Pro_dh) 		5 TYR A 565
ILE A 598
PHE A 885
GLY A 900
GLY A 602
 None
None
SO4  A2003 (-4.2A)
None
None
 1.32A 6awoA-5ux5A:
1.7		 6awoA-5ux5A:
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.
5x6a ENDOGLUCANASE,
PUTATIVE

(Aspergillus
fumigatus) 		no annotation 5 TYR A 219
ALA A 116
ILE A  91
GLY A 206
GLY A 118
 None
 1.22A 6awoA-5x6aA:
undetectable		 6awoA-5x6aA:
10.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yzc GLYCOPROTEIN
F1,MEASLES VIRUS
FUSION PROTEIN

(Measles
morbillivirus) 		no annotation 5 TYR B 251
ALA B 284
ILE B 283
GLY B 250
SER B 262
 None
 1.36A 6awoA-5yzcB:
undetectable		 6awoA-5yzcB:
10.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zqj BETA-XYLOSIDASE

(Bacillus
pumilus) 		no annotation 5 TYR A  24
ASP A  44
ALA A 262
ILE A 291
SER A  42
 None
 1.31A 6awoA-5zqjA:
undetectable		 6awoA-5zqjA:
10.06