SIMILAR PATTERNS OF AMINO ACIDS FOR 3AOD_C_RFPC2002_1

List of similar pattern of amino acids derived from ASSAM search

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

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

(Dickeya
chrysanthemi) 		PF00544
(Pec_lyase_C) 		5 THR A 297
ARG A 218
ASN A 243
GLY A 241
LEU A 221
 None
SO4  A1002 ( 3.2A)
None
None
SO4  A1003 (-4.6A)
 1.38A 3aodC-1airA:
0.0		 3aodC-1airA:
16.48
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.
1bg6 N-(1-D-CARBOXYLETHYL
)-L-NORVALINE
DEHYDROGENASE

(Arthrobacter
sp. 1C) 		PF02317
(Octopine_DH)
PF02558
(ApbA) 		5 GLN A 149
ALA A  60
PHE A 140
GLY A 148
LEU A  12
 None
 1.42A 3aodC-1bg6A:
0.0		 3aodC-1bg6A:
17.30
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.
1c30 CARBAMOYL PHOSPHATE
SYNTHETASE: LARGE
SUBUNIT

(Escherichia
coli) 		PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3) 		5 PHE A  26
ALA A  23
THR A  53
ASN A 570
GLY A 575
 None
 1.45A 3aodC-1c30A:
0.0		 3aodC-1c30A:
23.60
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.
1fba FRUCTOSE
1,6-BISPHOSPHATE
ALDOLASE

(Drosophila
melanogaster) 		PF00274
(Glycolytic) 		5 GLN A 178
PHE A 144
ALA A 145
THR A 226
ARG A 181
 None
 1.49A 3aodC-1fbaA:
0.0		 3aodC-1fbaA:
16.20
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.
1iwp GLYCEROL DEHYDRATASE
ALPHA SUBUNIT

(Klebsiella
pneumoniae) 		PF02286
(Dehydratase_LU) 		5 GLN A 353
ALA A 324
THR A 358
GLY A 299
LEU A 278
 None
 1.42A 3aodC-1iwpA:
0.0		 3aodC-1iwpA:
20.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kxh ALPHA-AMYLASE

(Pseudoalteromonas
haloplanktis) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		5 MET A 302
PHE A   9
THR A 277
PHE A 259
GLY A 271
 None
 1.47A 3aodC-1kxhA:
0.0		 3aodC-1kxhA:
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.
1lwu FIBRINOGEN BETA
CHAIN

(Petromyzon
marinus) 		PF00147
(Fibrinogen_C)
PF08702
(Fib_alpha) 		5 MET B 472
ALA B 430
PHE B 349
GLY B 370
LEU B 374
 None
 1.45A 3aodC-1lwuB:
0.0		 3aodC-1lwuB:
14.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1now BETA-HEXOSAMINIDASE
BETA CHAIN

(Homo sapiens) 		PF00728
(Glyco_hydro_20)
PF14845
(Glycohydro_20b2) 		5 ALA A 227
PHE A  98
GLY A 167
ARG A 170
LEU A  93
 None
 1.33A 3aodC-1nowA:
0.0		 3aodC-1nowA:
19.11
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.
1oft HYPOTHETICAL PROTEIN
PA3008

(Pseudomonas
aeruginosa) 		PF03846
(SulA) 		5 PHE A  46
ALA A  45
THR A 128
ARG A 122
GLY A 151
 None
 1.27A 3aodC-1oftA:
undetectable		 3aodC-1oftA:
9.69
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.
1ofu HYPOTHETICAL PROTEIN
PA3008

(Pseudomonas
aeruginosa) 		PF03846
(SulA) 		5 PHE X  46
ALA X  45
THR X 128
ARG X 122
GLY X 151
 None
 1.34A 3aodC-1ofuX:
undetectable		 3aodC-1ofuX:
8.25
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.
1rt8 FIMBRIN

(Schizosaccharomyces
pombe) 		PF00307
(CH) 		5 GLN A 419
ALA A 437
THR A 401
ASN A 452
GLY A 414
 SO4  A9004 ( 3.7A)
None
SO4  A9004 (-4.5A)
None
None
 1.44A 3aodC-1rt8A:
undetectable		 3aodC-1rt8A:
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.
1xaj 3-DEHYDROQUINATE
SYNTHASE

(Staphylococcus
aureus) 		PF01761
(DHQ_synthase) 		5 GLN A 232
ALA A 227
PHE A 151
GLY A 233
LEU A 238
 None
None
None
None
CRB  A 500 (-4.1A)
 1.42A 3aodC-1xajA:
undetectable		 3aodC-1xajA:
17.37
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.
1yll CONSERVED
HYPOTHETICAL PROTEIN

(Pseudomonas
aeruginosa) 		PF05962
(HutD) 		5 ALA A 120
THR A 139
PHE A 109
ARG A  41
GLY A  39
 None
 1.43A 3aodC-1yllA:
undetectable		 3aodC-1yllA:
11.33
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.
2a8e HYPOTHETICAL PROTEIN
YKTB

(Bacillus
subtilis) 		PF06335
(DUF1054) 		5 GLN A 207
PHE A 201
ALA A 200
THR A 206
GLY A  50
 None
 1.38A 3aodC-2a8eA:
undetectable		 3aodC-2a8eA:
11.87
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.
2bl0 MYOSIN REGULATORY
LIGHT CHAIN

(Physarum
polycephalum) 		PF13833
(EF-hand_8) 		5 GLN C 142
PHE C 100
ALA C 112
GLY C 141
LEU C 133
 None
 1.42A 3aodC-2bl0C:
undetectable		 3aodC-2bl0C:
9.34
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.
2bqp PROTEIN (PEA LECTIN)

(Pisum sativum) 		PF00139
(Lectin_legB) 		5 ALA A 221
THR A  40
ARG A 135
GLY A  82
LEU A 154
 None
 1.36A 3aodC-2bqpA:
undetectable		 3aodC-2bqpA:
12.40
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.
2dv6 NITRITE REDUCTASE

(Hyphomicrobium
denitrificans) 		PF07732
(Cu-oxidase_3) 		5 PHE A 196
PHE A 353
ASN A 329
GLY A 330
LEU A 335
 None
 1.48A 3aodC-2dv6A:
undetectable		 3aodC-2dv6A:
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.
2fsq ATU0111 PROTEIN

(Agrobacterium
fabrum) 		PF08975
(2H-phosphodiest) 		5 MET A 131
PHE A 177
THR A 134
GLY A 140
ARG A 137
 None
 1.46A 3aodC-2fsqA:
undetectable		 3aodC-2fsqA:
13.19
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.
2gjt RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE PTPRO

(Homo sapiens) 		PF00102
(Y_phosphatase) 		5 GLN A1184
THR A1181
PHE A1187
GLY A1144
LEU A1152
 None
None
CL  A 305 ( 4.8A)
None
None
 1.45A 3aodC-2gjtA:
1.6		 3aodC-2gjtA:
14.24
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.
2iiz MELANIN BIOSYNTHESIS
PROTEIN TYRA,
PUTATIVE

(Shewanella
oneidensis) 		PF04261
(Dyp_perox) 		5 GLN A 243
PHE A 298
ALA A  64
GLY A  12
LEU A 106
 None
 1.35A 3aodC-2iizA:
2.1		 3aodC-2iizA:
15.35
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.
2j13 POLYSACCHARIDE
DEACETYLASE

(Bacillus
anthracis) 		PF01522
(Polysacc_deac_1) 		5 GLN A 135
THR A 133
ASN A 102
GLY A 101
LEU A 122
 None
 1.35A 3aodC-2j13A:
undetectable		 3aodC-2j13A:
12.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2m6r FLAVODOXIN

(Escherichia
coli) 		PF00258
(Flavodoxin_1) 		5 PHE A  72
THR A  56
PHE A   7
GLY A  88
LEU A  85
 None
 1.44A 3aodC-2m6rA:
undetectable		 3aodC-2m6rA:
8.90
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.
2o2t MULTIPLE PDZ DOMAIN
PROTEIN

(Homo sapiens) 		PF00595
(PDZ) 		5 GLN A 217
ALA A 212
PHE A 150
GLY A 193
LEU A 196
 None
 1.33A 3aodC-2o2tA:
undetectable		 3aodC-2o2tA:
7.93
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.
2psq FIBROBLAST GROWTH
FACTOR RECEPTOR 2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 MET A 537
ALA A 618
PHE A 645
GLY A 613
LEU A 627
 None
 1.41A 3aodC-2psqA:
undetectable		 3aodC-2psqA:
16.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qez ETHANOLAMINE
AMMONIA-LYASE HEAVY
CHAIN

(Listeria
monocytogenes) 		PF06751
(EutB) 		5 ALA A 138
PHE A 157
PHE A 419
GLY A 360
LEU A 379
 None
None
GOL  A 455 ( 4.9A)
None
None
 1.38A 3aodC-2qezA:
undetectable		 3aodC-2qezA:
18.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qmw PREPHENATE
DEHYDRATASE

(Staphylococcus
aureus) 		PF00800
(PDT) 		5 PHE A  85
ALA A 143
THR A 158
PHE A 120
GLY A  89
 None
 1.41A 3aodC-2qmwA:
5.4		 3aodC-2qmwA:
14.56
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.
2qza SECRETED EFFECTOR
PROTEIN

(Salmonella
enterica) 		PF13599
(Pentapeptide_4)
PF13979
(SopA_C)
PF13981
(SopA) 		5 GLN A 282
PHE A 345
THR A 359
ASN A 351
GLY A 353
 None
 1.46A 3aodC-2qzaA:
undetectable		 3aodC-2qzaA:
21.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w4g MYOSIN HEAVY CHAIN,
SKELETAL MUSCLE,
ADULT
MYOSIN LIGHT CHAIN
3, SKELETAL MUSCLE
ISOFORM

(Gallus gallus) 		PF00063
(Myosin_head)
PF02736
(Myosin_N)
no annotation 		5 MET C 147
PHE C  87
ALA M 729
PHE M 797
ARG M 725
 None
 1.46A 3aodC-2w4gC:
undetectable		 3aodC-2w4gC:
9.25
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.
2x40 BETA-GLUCOSIDASE

(Thermotoga
neapolitana) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 MET A 103
ALA A  57
THR A  78
PHE A 149
GLY A 111
 None
 1.49A 3aodC-2x40A:
undetectable		 3aodC-2x40A:
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.
2x64 GLUTATHIONE-S-TRANSF
ERASE

(Xylella
fastidiosa) 		PF00043
(GST_C)
PF02798
(GST_N) 		5 MET A 189
ALA A  13
PHE A 186
PHE A 185
GLY A   8
 None
 1.07A 3aodC-2x64A:
undetectable		 3aodC-2x64A:
12.38
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.
2yh2 ESTERASE

(Pyrobaculum
calidifontis) 		PF07859
(Abhydrolase_3) 		5 MET A 169
ALA A 126
ASN A 161
GLY A 160
LEU A 190
 None
 1.44A 3aodC-2yh2A:
undetectable		 3aodC-2yh2A:
15.27
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.
2yjn DTDP-4-KETO-6-DEOXY-
HEXOSE 3,4-ISOMERASE
GLYCOSYLTRANSFERASE

(Saccharopolyspora
erythraea) 		PF00067
(p450)
PF06722
(DUF1205) 		5 MET B  35
THR A 117
PHE A  82
ARG B  77
GLY B  44
 None
 1.50A 3aodC-2yjnB:
undetectable		 3aodC-2yjnB:
17.19
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.
3b2d CD180 ANTIGEN

(Homo sapiens) 		PF00560
(LRR_1)
PF13855
(LRR_8) 		5 GLN A 282
THR A 254
PHE A 297
ASN A 331
LEU A 328
 None
 1.36A 3aodC-3b2dA:
undetectable		 3aodC-3b2dA:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bt7 TRNA
(URACIL-5-)-METHYLTR
ANSFERASE

(Escherichia
coli) 		PF05958
(tRNA_U5-meth_tr) 		5 PHE A 224
ALA A 227
THR A 207
PHE A 348
ARG A 230
 None
 1.23A 3aodC-3bt7A:
2.8		 3aodC-3bt7A:
18.03
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.
3f81 DUAL SPECIFICITY
PROTEIN PHOSPHATASE
3

(Homo sapiens) 		PF00782
(DSPc) 		5 PHE A  77
ARG A 125
ASN A  41
GLY A 127
ARG A 158
 None
None
None
STT  A   1 ( 4.5A)
None
 1.29A 3aodC-3f81A:
undetectable		 3aodC-3f81A:
11.76
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.
3fdg DIPEPTIDASE AC.
METALLO PEPTIDASE.
MEROPS FAMILY M19

(Rhodobacter
sphaeroides) 		PF01244
(Peptidase_M19) 		5 ALA A  54
THR A 230
PHE A 263
GLY A  51
LEU A  38
 MG  A 357 ( 4.2A)
None
None
None
None
 1.26A 3aodC-3fdgA:
undetectable		 3aodC-3fdgA:
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.
3ftb HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE

(Clostridium
acetobutylicum) 		PF00155
(Aminotran_1_2) 		5 PHE A 216
PHE A 299
ASN A 152
GLY A 151
LEU A 160
 None
 1.34A 3aodC-3ftbA:
undetectable		 3aodC-3ftbA:
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.
3hhd FATTY ACID SYNTHASE

(Homo sapiens) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 MET A 205
PHE A 395
THR A 297
GLY A 330
LEU A 191
 None
 1.38A 3aodC-3hhdA:
2.1		 3aodC-3hhdA:
23.71
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.
3hlz UNCHARACTERIZED
PROTEIN BT_1490

(Bacteroides
thetaiotaomicron) 		PF12712
(DUF3805)
PF12713
(DUF3806) 		5 PHE A  13
ALA A 131
THR A 100
ASN A 104
GLY A 103
 None
 1.38A 3aodC-3hlzA:
undetectable		 3aodC-3hlzA:
14.37
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.
3ic9 DIHYDROLIPOAMIDE
DEHYDROGENASE

(Colwellia
psychrerythraea) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A 463
THR A 438
PHE A 447
GLY A 414
LEU A 401
 None
 1.46A 3aodC-3ic9A:
undetectable		 3aodC-3ic9A:
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.
3ive NUCLEOTIDASE

(Escherichia
coli) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		5 ALA A 352
THR A 391
ASN A 370
GLY A 372
LEU A 467
 None
None
CTN  A 603 (-3.2A)
CTN  A 603 (-3.2A)
None
 1.44A 3aodC-3iveA:
undetectable		 3aodC-3iveA:
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.
3vkg DYNEIN HEAVY CHAIN,
CYTOPLASMIC

(Dictyostelium
discoideum) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		5 ALA A2642
PHE A2913
ASN A2832
GLY A2829
LEU A2849
 None
 1.13A 3aodC-3vkgA:
undetectable		 3aodC-3vkgA:
15.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3w9h ACRIFLAVINE
RESISTANCE PROTEIN B

(Escherichia
coli) 		PF00873
(ACR_tran) 		5 GLN A 577
PHE A 664
ARG A 717
ASN A 719
LEU A 828
 None
 1.13A 3aodC-3w9hA:
56.3		 3aodC-3w9hA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3w9h ACRIFLAVINE
RESISTANCE PROTEIN B

(Escherichia
coli) 		PF00873
(ACR_tran) 		5 GLN A 577
PHE A 666
ARG A 717
ASN A 719
LEU A 828
 None
 0.85A 3aodC-3w9hA:
56.3		 3aodC-3w9hA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3w9h ACRIFLAVINE
RESISTANCE PROTEIN B

(Escherichia
coli) 		PF00873
(ACR_tran) 		5 MET A 662
ALA A 618
ASN A 719
GLY A 720
LEU A 828
 None
 1.42A 3aodC-3w9hA:
56.3		 3aodC-3w9hA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3w9h ACRIFLAVINE
RESISTANCE PROTEIN B

(Escherichia
coli) 		PF00873
(ACR_tran) 		5 THR A 624
PHE A 664
ARG A 717
ASN A 719
LEU A 828
 None
 1.22A 3aodC-3w9hA:
56.3		 3aodC-3w9hA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3w9h ACRIFLAVINE
RESISTANCE PROTEIN B

(Escherichia
coli) 		PF00873
(ACR_tran) 		6 THR A 624
PHE A 666
ARG A 717
ASN A 719
GLY A 720
LEU A 828
 None
 1.03A 3aodC-3w9hA:
56.3		 3aodC-3w9hA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3w9i MULTIDRUG RESISTANCE
PROTEIN MEXB

(Pseudomonas
aeruginosa) 		PF00873
(ACR_tran) 		6 MET A 626
PHE A 573
ARG A 716
ASN A 718
GLY A 719
LEU A 827
 None
 1.33A 3aodC-3w9iA:
51.6		 3aodC-3w9iA:
69.71
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.
3zuk ENDOPEPTIDASE,
PEPTIDASE FAMILY M13

(Mycobacterium
tuberculosis) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		5 GLN A 602
ALA A 481
PHE A 643
GLY A 486
LEU A 568
 PEG  A1667 ( 4.6A)
None
None
None
None
 1.31A 3aodC-3zukA:
undetectable		 3aodC-3zukA:
21.76
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.
4af0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Cryptococcus
neoformans) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 MET B  40
GLN B  37
ALA B 365
PHE B  53
LEU B 508
 None
 1.21A 3aodC-4af0B:
undetectable		 3aodC-4af0B:
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.
4af0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Cryptococcus
neoformans) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 MET B  40
GLN B  37
ALA B 392
GLY B 515
LEU B  56
 None
 1.37A 3aodC-4af0B:
undetectable		 3aodC-4af0B:
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.
4aq4 SN-GLYCEROL-3-PHOSPH
ATE-BINDING
PERIPLASMIC PROTEIN
UGPB

(Escherichia
coli) 		PF13416
(SBP_bac_8) 		5 GLN A 352
ALA A 246
THR A 122
GLY A 265
LEU A 149
 None
 1.36A 3aodC-4aq4A:
undetectable		 3aodC-4aq4A:
16.60
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.
4cu8 GLYCOSIDE HYDROLASE
2

(Streptococcus
pneumoniae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 GLN A 926
ALA A 739
PHE A 194
ASN A 923
ARG A 653
 None
 1.49A 3aodC-4cu8A:
undetectable		 3aodC-4cu8A:
22.45
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.
4dwq TRNA-SPLICING LIGASE
RTCB

(Pyrococcus
horikoshii) 		PF01139
(RtcB) 		5 MET A 381
ALA A 450
THR A 383
PHE A 204
GLY A 407
 5GP  A 501 (-4.4A)
None
None
5GP  A 501 (-3.6A)
5GP  A 501 (-3.3A)
 1.31A 3aodC-4dwqA:
1.6		 3aodC-4dwqA:
20.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eb0 LCC

(uncultured
bacterium) 		PF12695
(Abhydrolase_5) 		5 GLN A 134
PHE A 125
ASN A 120
GLY A  72
ARG A  65
 None
SCN  A 302 ( 4.8A)
None
None
None
 1.37A 3aodC-4eb0A:
undetectable		 3aodC-4eb0A:
13.39
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.
4gic HISTIDINOL
DEHYDROGENASE

(Methylococcus
capsulatus) 		PF00815
(Histidinol_dh) 		5 PHE A 190
ALA A 165
THR A  57
GLY A 138
LEU A 178
 None
 1.40A 3aodC-4gicA:
undetectable		 3aodC-4gicA:
17.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i5v 5',5'''-P-1,P-4-TETR
APHOSPHATE
PHOSPHORYLASE 2

(Saccharomyces
cerevisiae) 		PF09830
(ATP_transf) 		5 GLN A 195
ALA A 231
THR A 315
PHE A 201
LEU A 252
 None
 1.38A 3aodC-4i5vA:
undetectable		 3aodC-4i5vA:
14.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kds PLASMINOGEN
ACTIVATOR INHIBITOR
1

(Oncorhynchus
mykiss) 		PF00079
(Serpin) 		5 GLN A 316
ALA A  37
PHE A 366
ASN A 161
LEU A  87
 None
 1.41A 3aodC-4kdsA:
undetectable		 3aodC-4kdsA:
16.89
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.
4n13 PHOSPHATE ABC
TRANSPORTER,
PERIPLASMIC
PHOSPHATE-BINDING
PROTEIN

(Borreliella
burgdorferi) 		PF12849
(PBP_like_2) 		5 PHE A  87
THR A 173
PHE A 156
ASN A 166
GLY A 167
 None
None
None
SO4  A 301 (-3.6A)
None
 1.25A 3aodC-4n13A:
undetectable		 3aodC-4n13A:
13.91
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.
4n9x PUTATIVE
MONOOXYGENASE

(Pectobacterium
atrosepticum) 		PF01494
(FAD_binding_3) 		5 PHE A   4
ALA A 157
ARG A 318
GLY A 327
ARG A 283
 None
 1.25A 3aodC-4n9xA:
undetectable		 3aodC-4n9xA:
17.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pag PERIPLASMIC BINDING
PROTEIN

(Sulfurospirillum
deleyianum) 		PF01497
(Peripla_BP_2) 		5 MET A 292
PHE A  48
PHE A 324
PHE A 325
ARG A 159
 None
 1.33A 3aodC-4pagA:
undetectable		 3aodC-4pagA:
14.27
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.
4qla JUVENILE HORMONE
EPOXIDE HYDROLASE

(Bombyx mori) 		PF06441
(EHN) 		5 ALA A 252
THR A 395
ASN A 250
GLY A 225
LEU A 432
 None
 1.38A 3aodC-4qlaA:
undetectable		 3aodC-4qlaA:
16.87
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.
4ras OXIDOREDUCTASE,
NAD-BINDING/IRON-SUL
FUR CLUSTER-BINDING
PROTEIN

(Nitratireductor
pacificus) 		PF12838
(Fer4_7)
PF13486
(Dehalogenase) 		5 MET A 263
ALA A 582
PHE A 367
GLY A 507
LEU A 479
 None
 1.22A 3aodC-4rasA:
3.6		 3aodC-4rasA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4v14 MUTATOR MUTT PROTEIN

(Vibrio cholerae) 		PF00293
(NUDIX) 		5 GLN A  94
PHE A  12
PHE A  20
GLY A  93
LEU A  55
 None
 1.32A 3aodC-4v14A:
undetectable		 3aodC-4v14A:
7.87
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.
4x0l HAPTOGLOBIN

(Homo sapiens) 		PF00089
(Trypsin) 		5 PHE C 377
THR C 350
ASN C 203
GLY C 188
LEU C 206
 None
 1.29A 3aodC-4x0lC:
undetectable		 3aodC-4x0lC:
12.64
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.
4zox RIBOSOME ASSEMBLY
PROTEIN SQT1

(Saccharomyces
cerevisiae) 		no annotation 5 ALA A 262
THR A 212
PHE A 242
ASN A 270
GLY A 269
 None
 1.45A 3aodC-4zoxA:
undetectable		 3aodC-4zoxA:
16.22
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.
5ams RIBOSOME ASSEMBLY
PROTEIN SQT1

(Saccharomyces
cerevisiae) 		no annotation 5 ALA A 262
THR A 212
PHE A 242
ASN A 270
GLY A 269
 None
 1.33A 3aodC-5amsA:
undetectable		 3aodC-5amsA:
17.36
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.
5dte MONOSACCHARIDE-TRANS
PORTING ATPASE

(Actinobacillus
succinogenes) 		PF13407
(Peripla_BP_4) 		5 ALA A 225
THR A 269
PHE A  43
ASN A 140
GLY A 143
 None
None
ALL  A 401 ( 4.9A)
ALL  A 401 ( 4.9A)
None
 1.47A 3aodC-5dteA:
undetectable		 3aodC-5dteA:
14.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5eno MULTIDRUG EFFLUX
PUMP SUBUNIT
ACRB,MULTIDRUG
EFFLUX PUMP SUBUNIT
ACRB

(Escherichia
coli) 		PF00873
(ACR_tran) 		6 ALA A 618
PHE A 666
ARG A 717
ASN A 719
GLY A 720
LEU A 828
 None
 1.25A 3aodC-5enoA:
47.8		 3aodC-5enoA:
73.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5eno MULTIDRUG EFFLUX
PUMP SUBUNIT
ACRB,MULTIDRUG
EFFLUX PUMP SUBUNIT
ACRB

(Escherichia
coli) 		PF00873
(ACR_tran) 		6 GLN A 577
THR A 624
PHE A 664
ARG A 717
ASN A 719
LEU A 828
 None
 1.33A 3aodC-5enoA:
47.8		 3aodC-5enoA:
73.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5eno MULTIDRUG EFFLUX
PUMP SUBUNIT
ACRB,MULTIDRUG
EFFLUX PUMP SUBUNIT
ACRB

(Escherichia
coli) 		PF00873
(ACR_tran) 		7 GLN A 577
THR A 624
PHE A 666
ARG A 717
ASN A 719
GLY A 720
LEU A 828
 None
 1.07A 3aodC-5enoA:
47.8		 3aodC-5enoA:
73.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5eno MULTIDRUG EFFLUX
PUMP SUBUNIT
ACRB,MULTIDRUG
EFFLUX PUMP SUBUNIT
ACRB

(Escherichia
coli) 		PF00873
(ACR_tran) 		5 PHE A 617
ALA A 618
ASN A 719
GLY A 720
LEU A 828
 None
 1.25A 3aodC-5enoA:
47.8		 3aodC-5enoA:
73.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5eno MULTIDRUG EFFLUX
PUMP SUBUNIT
ACRB,MULTIDRUG
EFFLUX PUMP SUBUNIT
ACRB

(Escherichia
coli) 		PF00873
(ACR_tran) 		5 PHE A 617
THR A 624
ASN A 719
GLY A 720
LEU A 828
 None
 0.98A 3aodC-5enoA:
47.8		 3aodC-5enoA:
73.16
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.
5hrm HALOALKYLPHOSPHORUS
HYDROLASE

(Sphingobium sp.
TCM1) 		no annotation 5 PHE A 557
ALA A 558
THR A 129
GLY A 135
LEU A 534
 None
 1.35A 3aodC-5hrmA:
undetectable		 3aodC-5hrmA:
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.
5ioj HALOALKYLPHOSPHORUS
HYDROLASE

(Sphingobium sp.
TCM1) 		no annotation 5 PHE A 557
ALA A 558
THR A 129
GLY A 135
LEU A 534
 None
 1.34A 3aodC-5iojA:
undetectable		 3aodC-5iojA:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jw7 E3 UBIQUITIN-PROTEIN
LIGASE SOPA

(Salmonella
enterica) 		PF13599
(Pentapeptide_4)
PF13981
(SopA) 		5 GLN A 282
PHE A 345
THR A 359
ASN A 351
GLY A 353
 None
 1.45A 3aodC-5jw7A:
undetectable		 3aodC-5jw7A:
14.59
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.
5lnq 3-KETOACYL-COA
THIOLASE-LIKE
PROTEIN

(Leishmania
mexicana) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 GLN A 404
ALA A 411
ASN A 218
GLY A 380
LEU A 220
 None
 1.20A 3aodC-5lnqA:
undetectable		 3aodC-5lnqA:
18.65
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.
5m9n TUDOR
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00567
(TUDOR) 		5 GLN A 512
PHE A 509
ALA A 500
GLY A 497
LEU A 651
 None
EDO  A 702 ( 4.7A)
None
None
None
 1.37A 3aodC-5m9nA:
undetectable		 3aodC-5m9nA:
12.85
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.
5n5d METHYLTRANSFERASE

(Streptomyces
regensis) 		PF01596
(Methyltransf_3) 		5 GLN A  45
PHE A  13
THR A 209
GLY A  46
LEU A  51
 BU3  A 301 (-3.6A)
None
None
None
None
 1.36A 3aodC-5n5dA:
undetectable		 3aodC-5n5dA:
13.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tch TRYPTOPHAN SYNTHASE
BETA CHAIN

(Mycobacterium
tuberculosis) 		PF00291
(PALP) 		5 PHE B 269
ALA B 243
PHE B 285
GLY B 248
LEU B 330
 None
None
None
LLP  B 101 ( 3.3A)
None
 1.44A 3aodC-5tchB:
undetectable		 3aodC-5tchB:
18.00
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.
5ue0 CT622 PROTEIN

(Chlamydia
trachomatis) 		no annotation 5 MET A 437
GLN A 459
ALA A 444
GLY A 456
LEU A 492
 None
 1.40A 3aodC-5ue0A:
2.5		 3aodC-5ue0A:
7.79
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.
5wab PUTATIVE
BETA-GLUCOSIDASE

(Bifidobacterium
adolescentis) 		no annotation 5 PHE A 379
ASN A 450
GLY A 451
ARG A 421
LEU A 448
 None
 1.46A 3aodC-5wabA:
undetectable		 3aodC-5wabA:
7.81
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.
5xmj FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT

(Desulfovibrio
gigas) 		no annotation 5 GLN A 297
PHE A 141
ALA A 140
GLY A 120
LEU A 333
 None
FUM  A 702 (-4.3A)
None
None
None
 1.26A 3aodC-5xmjA:
undetectable		 3aodC-5xmjA:
5.51
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.
5yem CATALASE

(Mycothermus
thermophilus) 		no annotation 5 ALA A 638
PHE A 677
GLY A 667
ARG A 693
LEU A 685
 None
 1.42A 3aodC-5yemA:
undetectable		 3aodC-5yemA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ykb TREHALOSE SYNTHASE

(Deinococcus
radiodurans) 		no annotation 5 GLN A 406
PHE A 425
GLY A 384
ARG A 353
LEU A  17
 None
 1.43A 3aodC-5ykbA:
undetectable		 3aodC-5ykbA:
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.
5z06 BDI_3064 PROTEIN

(Parabacteroides
distasonis) 		no annotation 5 MET A 348
PHE A 345
ALA A 342
GLY A 325
LEU A 375
 None
 1.21A 3aodC-5z06A:
undetectable		 3aodC-5z06A:
6.45
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.
6axe MALATE SYNTHASE G

(Mycobacterium
marinum) 		PF01274
(Malate_synthase) 		5 PHE A 126
ALA A 127
ASN A 290
GLY A 293
LEU A 286
 ACO  A 801 (-3.6A)
None
None
None
None
 1.39A 3aodC-6axeA:
undetectable		 3aodC-6axeA:
23.06