SIMILAR PATTERNS OF AMINO ACIDS FOR 3W9T_E_W9TE505

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.
1bpl ALPHA-1,4-GLUCAN-4-G
LUCANOHYDROLASE

(Bacillus
licheniformis) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		4 GLU B 271
GLY B 268
TYR B 262
GLN B 264
 None
 1.29A 3w9tE-1bplB:
0.0		 3w9tE-1bplB:
19.72
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.
1br2 MYOSIN

(Gallus gallus) 		PF00063
(Myosin_head)
PF02736
(Myosin_N) 		4 GLU A 178
GLY A 177
TYR A 586
GLN A 490
 None
 1.35A 3w9tE-1br2A:
0.0		 3w9tE-1br2A:
19.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1d5t GUANINE NUCLEOTIDE
DISSOCIATION
INHIBITOR

(Bos taurus) 		PF00996
(GDI) 		4 ASP A 283
GLU A  42
GLY A  41
TYR A 286
 None
 1.11A 3w9tE-1d5tA:
0.0		 3w9tE-1d5tA:
22.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e43 ALPHA-AMYLASE

(Bacillus
amyloliquefaciens) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		4 GLU A 271
GLY A 268
TYR A 262
GLN A 264
 None
 1.45A 3w9tE-1e43A:
0.0		 3w9tE-1e43A:
21.48
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.
1hc7 PROLYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		4 ASP A 275
GLU A 340
GLY A 278
GLN A  10
 None
 1.25A 3w9tE-1hc7A:
0.5		 3w9tE-1hc7A:
18.85
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.
1i35 PROTEIN KINASE BYR2

(Schizosaccharomyces
pombe) 		PF14847
(Ras_bdg_2) 		4 ASP A  20
GLU A  57
TYR A  21
GLN A  22
 None
 1.22A 3w9tE-1i35A:
undetectable		 3w9tE-1i35A:
12.35
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.
1i84 SMOOTH MUSCLE MYOSIN
HEAVY CHAIN

(Gallus gallus) 		PF00063
(Myosin_head)
PF00612
(IQ)
PF01576
(Myosin_tail_1)
PF02736
(Myosin_N) 		4 GLU S 178
GLY S 177
TYR S 586
GLN S 490
 None
 1.21A 3w9tE-1i84S:
0.0		 3w9tE-1i84S:
14.38
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.
1i9s MRNA CAPPING ENZYME

(Mus musculus) 		PF00782
(DSPc) 		4 ASP A 168
GLU A  96
GLY A  95
TYR A 169
 None
 1.02A 3w9tE-1i9sA:
0.0		 3w9tE-1i9sA:
17.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vcl HEMOLYTIC LECTIN
CEL-III

(Cucumaria
echinata) 		PF00652
(Ricin_B_lectin) 		5 ASP A 121
GLU A 123
GLY A 124
TYR A 134
GLN A 137
 CA  A1002 (-2.8A)
None
CA  A1002 (-4.3A)
None
CA  A1002 ( 4.5A)
 0.54A 3w9tE-1vclA:
36.9		 3w9tE-1vclA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vcl HEMOLYTIC LECTIN
CEL-III

(Cucumaria
echinata) 		PF00652
(Ricin_B_lectin) 		4 ASP A 168
GLU A 170
GLY A 171
TYR A 181
 CA  A1003 (-2.8A)
None
CA  A1003 (-4.2A)
None
 0.85A 3w9tE-1vclA:
36.9		 3w9tE-1vclA:
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.
1vjs ALPHA-AMYLASE

(Bacillus
licheniformis) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		4 GLU A 271
GLY A 268
TYR A 262
GLN A 264
 None
 1.20A 3w9tE-1vjsA:
undetectable		 3w9tE-1vjsA:
21.39
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.
1we5 PUTATIVE FAMILY 31
GLUCOSIDASE YICI

(Escherichia
coli) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		4 ASP A 602
GLU A 160
GLY A 159
TYR A 603
 None
 1.26A 3w9tE-1we5A:
undetectable		 3w9tE-1we5A:
20.78
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.
2aw2 B AND T LYMPHOCYTE
ATTENUATOR
TUMOR NECROSIS
FACTOR RECEPTOR
SUPERFAMILY MEMBER
14

(Homo sapiens) 		PF00020
(TNFR_c6)
PF13927
(Ig_3) 		4 GLU B  31
GLY B  30
TYR A  39
GLN A  37
 None
 1.28A 3w9tE-2aw2B:
undetectable		 3w9tE-2aw2B:
13.27
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.
2btj GREEN TO RED
PHOTOCONVERTIBLE
GPF-LIKE PROTEIN
EOSFP

(Lobophyllia
hemprichii) 		PF01353
(GFP) 		4 GLU A 181
GLY A 183
TYR A  78
GLN A  76
 None
 1.25A 3w9tE-2btjA:
undetectable		 3w9tE-2btjA:
19.58
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.
2cuw PURS

(Thermus
thermophilus) 		PF02700
(PurS) 		4 ASP A  18
GLU A  11
GLY A  41
GLN A  20
 None
 1.40A 3w9tE-2cuwA:
undetectable		 3w9tE-2cuwA:
14.53
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.
2d7n FILAMIN-C

(Homo sapiens) 		PF00630
(Filamin) 		4 ASP A  42
GLU A  23
GLY A  22
GLN A  20
 None
 1.48A 3w9tE-2d7nA:
undetectable		 3w9tE-2d7nA:
12.63
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.
2hpi DNA POLYMERASE III
ALPHA SUBUNIT

(Thermus
aquaticus) 		PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		4 GLU A  55
GLY A  52
TYR A 604
GLN A 603
 None
 1.37A 3w9tE-2hpiA:
undetectable		 3w9tE-2hpiA:
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.
2jb1 L-AMINO ACID OXIDASE

(Rhodococcus
opacus) 		PF01593
(Amino_oxidase) 		4 ASP A 358
GLY A 237
TYR A 357
GLN A 103
 None
 1.19A 3w9tE-2jb1A:
undetectable		 3w9tE-2jb1A:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2l7y PUTATIVE
ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE

(Streptococcus
pneumoniae) 		PF07523
(Big_3) 		4 GLU A   9
GLY A   7
TYR A  69
GLN A  70
 None
 1.35A 3w9tE-2l7yA:
undetectable		 3w9tE-2l7yA:
14.21
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.
2nrk HYPOTHETICAL PROTEIN
GRPB

(Enterococcus
faecalis) 		PF04229
(GrpB) 		4 ASP A  64
GLU A  80
GLY A  79
GLN A  67
 None
 1.23A 3w9tE-2nrkA:
undetectable		 3w9tE-2nrkA:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oby PUTATIVE QUINONE
OXIDOREDUCTASE

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 ASP A  43
GLU A  64
GLY A  62
GLN A  46
 None
 1.24A 3w9tE-2obyA:
undetectable		 3w9tE-2obyA:
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.
2oqc PENICILLIN V ACYLASE

(Bacillus
subtilis) 		PF02275
(CBAH) 		4 GLU A  28
GLY A  26
TYR A 278
GLN A 277
 None
 1.20A 3w9tE-2oqcA:
undetectable		 3w9tE-2oqcA:
20.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qzx CANDIDAPEPSIN-5

(Candida
albicans) 		PF00026
(Asp) 		4 ASP A 175
GLU A 335
TYR A 158
GLN A 168
 None
 0.93A 3w9tE-2qzxA:
undetectable		 3w9tE-2qzxA:
24.34
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.
3a18 ALDOXIME DEHYDRATASE

(Rhodococcus
erythropolis) 		PF13816
(Dehydratase_hem) 		4 ASP A  86
GLY A 340
TYR A  90
GLN A  49
 None
 1.07A 3w9tE-3a18A:
undetectable		 3w9tE-3a18A:
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.
3bgu FERREDOXIN-LIKE
PROTEIN OF UNKNOWN
FUNCTION

(Thermobifida
fusca) 		PF07876
(Dabb) 		4 GLU A  36
GLY A  66
TYR A  70
GLN A  71
 EDO  A 104 ( 4.6A)
None
EDO  A 103 ( 4.4A)
EDO  A 102 (-4.0A)
 1.41A 3w9tE-3bguA:
undetectable		 3w9tE-3bguA:
13.81
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.
3ebv CHINITASE A

(Streptomyces
coelicolor) 		PF00704
(Glyco_hydro_18) 		4 ASP A 154
GLY A 123
TYR A 162
GLN A 151
 None
 1.43A 3w9tE-3ebvA:
undetectable		 3w9tE-3ebvA:
20.46
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.
3fbq CONSERVED DOMAIN
PROTEIN

(Bacillus
anthracis) 		PF13786
(DUF4179) 		4 ASP A  14
GLU A  22
GLY A  19
TYR A  21
 None
 1.39A 3w9tE-3fbqA:
undetectable		 3w9tE-3fbqA:
18.63
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.
3fd0 PUTATIVE
CYSTATHIONINE
BETA-LYASE INVOLVED
IN ALUMINUM
RESISTANCE

(Listeria
innocua) 		PF06838
(Met_gamma_lyase) 		4 ASP A 314
GLY A 169
TYR A 203
GLN A 388
 None
EDO  A 411 (-3.8A)
LLP  A 226 ( 3.5A)
EDO  A 411 (-3.5A)
 1.12A 3w9tE-3fd0A:
undetectable		 3w9tE-3fd0A:
19.74
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.
3hbu SECRETED PROTEASE C

(Dickeya
chrysanthemi) 		PF00353
(HemolysinCabind)
PF00413
(Peptidase_M10)
PF08548
(Peptidase_M10_C) 		4 GLU P 179
GLY P 182
TYR P 242
GLN P 184
 None
 1.47A 3w9tE-3hbuP:
undetectable		 3w9tE-3hbuP:
22.55
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.
3ht4 ALUMINUM RESISTANCE
PROTEIN

(Bacillus cereus) 		PF06838
(Met_gamma_lyase) 		4 ASP A 321
GLY A 176
TYR A 210
GLN A 395
 None
 1.08A 3w9tE-3ht4A:
undetectable		 3w9tE-3ht4A:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3il4 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Enterococcus
faecalis) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		4 ASP A  79
GLU A 107
TYR A 136
GLN A 137
 None
 1.43A 3w9tE-3il4A:
undetectable		 3w9tE-3il4A:
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.
3m50 N.PLUMBAGINIFOLIA
H+-TRANSLOCATING
ATPASE MRNA

(Nicotiana
plumbaginifolia) 		no annotation 4 GLU P 928
GLY P 934
TYR P 954
GLN P 952
 None
 1.46A 3w9tE-3m50P:
undetectable		 3w9tE-3m50P:
5.60
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.
3mpl VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis) 		PF00497
(SBP_bac_3) 		4 ASP A 369
GLU A 367
GLY A 366
GLN A 499
 None
 1.12A 3w9tE-3mplA:
undetectable		 3w9tE-3mplA:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o0t SERINE/THREONINE-PRO
TEIN PHOSPHATASE
PGAM5, MITOCHONDRIAL

(Homo sapiens) 		PF00300
(His_Phos_1) 		4 ASP A 200
GLU A 177
TYR A 197
GLN A 196
 None
PO4  A   1 (-3.4A)
None
None
 1.06A 3w9tE-3o0tA:
undetectable		 3w9tE-3o0tA:
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.
3pdf DIPEPTIDYL PEPTIDASE
1

(Homo sapiens) 		PF00112
(Peptidase_C1)
PF08773
(CathepsinC_exc) 		4 ASP A 304
GLU A 275
GLY A 273
GLN A 262
 None
 1.39A 3w9tE-3pdfA:
undetectable		 3w9tE-3pdfA:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tc2 KUNITZ-TYPE
PROTEINASE INHIBITOR
P1H5

(Solanum
tuberosum) 		PF00197
(Kunitz_legume) 		4 ASP A  10
GLU A  15
TYR A  22
GLN A 185
 None
 1.34A 3w9tE-3tc2A:
4.6		 3w9tE-3tc2A:
17.93
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.
3ubd RIBOSOMAL PROTEIN S6
KINASE ALPHA-3

(Mus musculus) 		PF00069
(Pkinase) 		4 ASP A 182
GLU A 319
GLY A 317
GLN A 247
 None
 1.38A 3w9tE-3ubdA:
undetectable		 3w9tE-3ubdA:
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.
3wdg URACIL-DNA
GLYCOSYLASE

(Staphylococcus
aureus) 		PF03167
(UDG) 		4 GLU A 125
GLY A 124
TYR A  33
GLN A  66
 None
 0.84A 3w9tE-3wdgA:
undetectable		 3w9tE-3wdgA:
17.13
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.
3wn6 ALPHA-AMYLASE

(Oryza sativa) 		PF00128
(Alpha-amylase)
PF07821
(Alpha-amyl_C2) 		4 GLU A  39
GLY A  42
TYR A  44
GLN A  94
 None
 1.05A 3w9tE-3wn6A:
undetectable		 3w9tE-3wn6A:
23.87
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.
4a1s PARTNER OF
INSCUTEABLE

(Drosophila
melanogaster) 		PF13176
(TPR_7)
PF13424
(TPR_12) 		4 GLU A 337
GLY A 336
TYR A 302
GLN A 299
 None
 1.43A 3w9tE-4a1sA:
undetectable		 3w9tE-4a1sA:
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.
4ad8 DNA REPAIR PROTEIN
RECN

(Deinococcus
radiodurans) 		PF02463
(SMC_N) 		4 GLU A 339
GLY A 341
TYR A 330
GLN A 209
 None
 1.48A 3w9tE-4ad8A:
undetectable		 3w9tE-4ad8A:
19.50
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.
4amc GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70) 		4 ASP A1477
GLU A1482
GLY A1479
TYR A1556
 None
 1.12A 3w9tE-4amcA:
undetectable		 3w9tE-4amcA:
16.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4avc LYSINE
ACETYLTRANSFERASE

(Mycobacterium
tuberculosis) 		PF00027
(cNMP_binding)
PF13302
(Acetyltransf_3) 		4 ASP A 242
GLU A 179
GLY A 178
GLN A 175
 None
 1.11A 3w9tE-4avcA:
undetectable		 3w9tE-4avcA:
21.30
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.
4ays AMYLOSUCRASE

(Deinococcus
radiodurans) 		PF00128
(Alpha-amylase) 		4 GLU A 112
GLY A 113
TYR A 110
GLN A 528
 None
 1.38A 3w9tE-4aysA:
undetectable		 3w9tE-4aysA:
18.87
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.
4xcq TUBZ

(Clostridium
phage c-st) 		PF00091
(Tubulin) 		4 GLU A 244
GLY A 284
TYR A 238
GLN A 288
 None
 1.50A 3w9tE-4xcqA:
undetectable		 3w9tE-4xcqA:
21.53
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.
4zn2 PSLG

(Pseudomonas
aeruginosa) 		PF00150
(Cellulase) 		4 GLU A 295
GLY A 293
TYR A 300
GLN A 289
 None
 0.94A 3w9tE-4zn2A:
undetectable		 3w9tE-4zn2A:
23.25
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.
5c2v HYDRAZINE SYNTHASE
ALPHA SUBUNIT

(Candidatus
Kuenenia
stuttgartiensis) 		no annotation 4 GLU A 381
GLY A 361
TYR A 364
GLN A 339
 None
 0.90A 3w9tE-5c2vA:
undetectable		 3w9tE-5c2vA:
20.64
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.
5d7w SERRALYSIN

(Serratia
marcescens) 		PF00353
(HemolysinCabind)
PF00413
(Peptidase_M10)
PF08548
(Peptidase_M10_C) 		4 ASP A 168
GLU A 167
GLY A 170
TYR A 230
 ASP  A 168 (-0.6A)
GLU  A 167 ( 0.6A)
GLY  A 170 ( 0.0A)
TYR  A 230 (-1.3A)
 1.19A 3w9tE-5d7wA:
undetectable		 3w9tE-5d7wA:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dtr HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC

(Homo sapiens) 		PF08123
(DOT1) 		4 ASP A 142
GLU A 138
GLY A 137
GLN A 172
 None
 1.44A 3w9tE-5dtrA:
undetectable		 3w9tE-5dtrA:
21.68
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.
5h83 HETEROYOHIMBINE
SYNTHASE HYS

(Catharanthus
roseus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 ASP A  54
GLU A  74
GLY A  72
TYR A  53
 None
ZN  A 901 (-2.9A)
None
None
 1.34A 3w9tE-5h83A:
undetectable		 3w9tE-5h83A:
19.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hl8 TYPE II SECRETION
SYSTEM PROTEIN L

(Klebsiella
pneumoniae) 		PF12693
(GspL_C) 		4 ASP A 352
GLU A 387
GLY A 388
GLN A 350
 None
 1.25A 3w9tE-5hl8A:
undetectable		 3w9tE-5hl8A:
10.88
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.
5htp PROBABLE SUGAR
KINASE

(Synechococcus
elongatus) 		PF02782
(FGGY_C) 		4 GLU A 236
GLY A 235
TYR A 357
GLN A 361
 None
 1.30A 3w9tE-5htpA:
undetectable		 3w9tE-5htpA:
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.
5i3o BMP-2-INDUCIBLE
PROTEIN KINASE

(Homo sapiens) 		PF00069
(Pkinase) 		4 ASP A 161
GLY A 192
TYR A 194
GLN A 157
 None
 1.28A 3w9tE-5i3oA:
undetectable		 3w9tE-5i3oA:
18.41
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.
5i4e MYOSIN-14,ALPHA-ACTI
NIN A

(Dictyostelium
discoideum;
Homo sapiens) 		PF00063
(Myosin_head)
PF00435
(Spectrin)
PF02736
(Myosin_N) 		4 GLU A 199
GLY A 198
TYR A 599
GLN A 503
 None
 1.44A 3w9tE-5i4eA:
undetectable		 3w9tE-5i4eA:
17.49
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.
5ls2 LYSM TYPE RECEPTOR
KINASE

(Lotus japonicus) 		no annotation 4 ASP A 106
GLY A 145
TYR A 105
GLN A 108
 None
 1.48A 3w9tE-5ls2A:
undetectable		 3w9tE-5ls2A:
18.49
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.
5o1w PROTEIN NRD1

(Saccharomyces
cerevisiae) 		PF00076
(RRM_1) 		4 ASP A 461
GLU A 459
GLY A 444
GLN A 442
 None
 1.50A 3w9tE-5o1wA:
undetectable		 3w9tE-5o1wA:
20.05
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.
5opj RHAMNOGALACTURONAN
LYASE

(Bacteroides
thetaiotaomicron) 		no annotation 4 ASP A  49
GLU A 423
GLY A 421
GLN A 386
 None
 1.25A 3w9tE-5opjA:
undetectable		 3w9tE-5opjA:
14.97
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.
5v5s OUTER MEMBRANE
PROTEIN TOLC

(Escherichia
coli) 		PF02321
(OEP) 		4 ASP A 101
GLU A  16
TYR A  98
GLN A  94
 None
 1.26A 3w9tE-5v5sA:
undetectable		 3w9tE-5v5sA:
24.19
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.
5y29 INSECT GROUP II
CHITINASE

(Ostrinia
furnacalis) 		no annotation 4 ASP A1886
GLU A1889
GLY A1888
GLN A1808
 None
 1.44A 3w9tE-5y29A:
undetectable		 3w9tE-5y29A:
12.46
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.
5yy3 -

(-) 		no annotation 4 ASP A 171
GLU A 533
GLY A 532
TYR A 170
 None
 1.42A 3w9tE-5yy3A:
undetectable		 3w9tE-5yy3A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cv9 SHORT TRANSIENT
RECEPTOR POTENTIAL
CHANNEL 6

(Mus musculus) 		no annotation 4 ASP A 203
GLU A 210
GLY A 212
TYR A 206
 None
 1.01A 3w9tE-6cv9A:
undetectable		 3w9tE-6cv9A:
10.62
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.
6f42 DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC1

(Saccharomyces
cerevisiae) 		no annotation 4 GLU A1084
GLY A1086
TYR A 900
GLN A 899
 None
 1.09A 3w9tE-6f42A:
undetectable		 3w9tE-6f42A:
11.78
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.
6fai ESSENTIAL NUCLEAR
PROTEIN 1
PROTEIN LTV1

(Saccharomyces
cerevisiae) 		no annotation 4 GLU j 369
GLY j 367
TYR j 371
GLN i 276
 None
 1.49A 3w9tE-6faij:
undetectable		 3w9tE-6faij:
10.19