SIMILAR PATTERNS OF AMINO ACIDS FOR 4OAD_A_CLMA205_0

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1c4k PROTEIN (ORNITHINE
DECARBOXYLASE)

(Lactobacillus
sp. 30A) 		PF01276
(OKR_DC_1)
PF03709
(OKR_DC_1_N)
PF03711
(OKR_DC_1_C) 		5 PHE A 111
PRO A 108
ALA A 416
GLY A 417
LEU A 420
 None
 1.13A 4oadA-1c4kA:
undetectable		 4oadA-1c4kA:
12.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jqe HISTAMINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF13489
(Methyltransf_23) 		5 PHE A 243
CYH A 229
ASN A 251
ALA A 254
LEU A 258
 QUN  A 500 (-4.1A)
None
None
None
None
 1.49A 4oadA-1jqeA:
2.5		 4oadA-1jqeA:
20.85
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.
1oy1 PUTATIVE SIGMA
CROSS-REACTING
PROTEIN 27A

(Escherichia
coli) 		no annotation 5 GLU A  21
CYH A 138
MET A 196
ALA A 205
GLY A 207
 None
 1.21A 4oadA-1oy1A:
undetectable		 4oadA-1oy1A:
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.
1p1v SUPEROXIDE DISMUTASE
[CU-ZN]

(Homo sapiens) 		PF00080
(Sod_Cu) 		5 PRO A  62
ARG A 143
ASN A  53
GLY A 147
LEU A   8
 None
SO4  A 801 (-3.7A)
None
None
None
 1.36A 4oadA-1p1vA:
undetectable		 4oadA-1p1vA:
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.
1qdm PROPHYTEPSIN

(Hordeum vulgare) 		PF00026
(Asp)
PF03489
(SapB_2)
PF05184
(SapB_1) 		5 PRO A 179
MET A 177
ARG A   7
GLY A 170
LEU A  10
 None
 1.33A 4oadA-1qdmA:
undetectable		 4oadA-1qdmA:
18.95
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.
1r5t CYTIDINE DEAMINASE

(Saccharomyces
cerevisiae) 		PF00383
(dCMP_cyt_deam_1) 		5 PRO A  95
GLU A  63
MET A 115
ALA A  21
LEU A  19
 None
ZN  A 150 ( 4.0A)
None
None
None
 1.08A 4oadA-1r5tA:
undetectable		 4oadA-1r5tA:
22.91
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.
1sfr ANTIGEN 85-A

(Mycobacterium
tuberculosis) 		PF00756
(Esterase) 		5 PHE A 256
TYR A 266
ALA A 269
GLY A 268
LEU A 271
 None
 1.20A 4oadA-1sfrA:
0.0		 4oadA-1sfrA:
17.79
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.
1sg4 3,2-TRANS-ENOYL-COA
ISOMERASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00378
(ECH_1) 		5 PRO A 172
CYH A 131
ALA A 163
GLY A 167
LEU A 166
 None
 1.30A 4oadA-1sg4A:
0.9		 4oadA-1sg4A:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tah LIPASE

(Burkholderia
glumae) 		no annotation 5 PHE B 179
PRO B 180
ARG B  94
GLY B 116
LEU B 167
 None
 1.31A 4oadA-1tahB:
0.7		 4oadA-1tahB:
20.06
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.
1tzs CATHEPSIN E

(Homo sapiens) 		PF00026
(Asp) 		5 PHE A  42
GLU A 177
TYR A 165
ALA A 174
GLY A 173
 None
 1.49A 4oadA-1tzsA:
undetectable		 4oadA-1tzsA:
17.23
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.
1uxt GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
(NADP+)

(Thermoproteus
tenax) 		PF00171
(Aldedh) 		5 PRO A 453
ASN A 450
ALA A 276
GLY A 429
LEU A 273
 None
 1.35A 4oadA-1uxtA:
undetectable		 4oadA-1uxtA:
15.89
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.
1wmu HEMOGLOBIN D ALPHA
CHAIN

(Aldabrachelys
gigantea) 		PF00042
(Globin) 		5 CYH A 104
ALA A 111
GLY A 110
LEU A 113
TYR A 117
 None
 1.35A 4oadA-1wmuA:
undetectable		 4oadA-1wmuA:
22.40
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.
1x9e HMG-COA SYNTHASE

(Enterococcus
faecalis) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		5 PHE A 315
ALA A 243
GLY A 240
LEU A 244
TYR A 263
 None
 1.49A 4oadA-1x9eA:
undetectable		 4oadA-1x9eA:
18.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bpa PROTEIN (SUBUNIT OF
BACTERIOPHAGE
PHIX174)

(Escherichia
virus phiX174) 		PF02306
(Phage_G) 		5 PRO 2 133
GLU 2  95
TYR 2 141
ARG 2  93
GLY 2 143
 None
 1.47A 4oadA-2bpa2:
undetectable		 4oadA-2bpa2:
19.90
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.
2bpa PROTEIN (SUBUNIT OF
BACTERIOPHAGE
PHIX174)

(Escherichia
virus phiX174) 		PF02306
(Phage_G) 		5 PRO 2 133
GLU 2  95
TYR 2 141
GLY 2 143
LEU 2  91
 None
 1.48A 4oadA-2bpa2:
undetectable		 4oadA-2bpa2:
19.90
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.
2e7u GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE

(Thermus
thermophilus) 		PF00202
(Aminotran_3) 		5 PRO A 289
ARG A 112
ALA A 278
GLY A 279
LEU A 261
 None
 1.50A 4oadA-2e7uA:
undetectable		 4oadA-2e7uA:
15.68
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.
2e87 HYPOTHETICAL PROTEIN
PH1320

(Pyrococcus
horikoshii) 		PF06858
(NOG1) 		5 PRO A 176
CYH A 260
ASN A 288
ALA A 317
LEU A 318
 None
None
GDP  A 400 (-3.3A)
GDP  A 400 (-3.7A)
GDP  A 400 (-4.0A)
 1.37A 4oadA-2e87A:
undetectable		 4oadA-2e87A:
16.19
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.
2gjm LACTOPEROXIDASE

(Bubalus bubalis) 		PF03098
(An_peroxidase) 		5 GLU A 274
TYR A   7
ARG A 188
ALA A 280
LEU A 284
 None
 1.13A 4oadA-2gjmA:
undetectable		 4oadA-2gjmA:
15.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2obn HYPOTHETICAL PROTEIN

(Trichormus
variabilis) 		PF07755
(DUF1611)
PF17396
(DUF1611_N) 		5 PRO A  35
ARG A  57
ALA A  27
GLY A  25
LEU A  26
 None
 1.46A 4oadA-2obnA:
undetectable		 4oadA-2obnA:
19.21
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.
2ocf ESTROGEN RECEPTOR
FIBRONECTIN

(Homo sapiens;
Homo sapiens) 		PF00104
(Hormone_recep)
PF00041
(fn3) 		5 PHE D  48
GLU A 330
ARG A 352
ASN A 407
ALA A 405
 None
 1.49A 4oadA-2ocfD:
undetectable		 4oadA-2ocfD:
19.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ogi HYPOTHETICAL PROTEIN
SAG1661

(Streptococcus
agalactiae) 		PF01966
(HD) 		5 GLU A  39
ALA A  55
GLY A  52
LEU A  56
TYR A   3
 None
 0.92A 4oadA-2ogiA:
undetectable		 4oadA-2ogiA:
22.32
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.
2ptg ENOYL-ACYL CARRIER
REDUCTASE

(Eimeria tenella) 		PF13561
(adh_short_C2) 		5 PHE A 261
TYR A 114
ALA A 373
GLY A 371
LEU A 375
 None
 1.49A 4oadA-2ptgA:
undetectable		 4oadA-2ptgA:
21.52
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.
2qne PUTATIVE
METHYLTRANSFERASE

(Desulfitobacterium
hafniense) 		PF06253
(MTTB) 		5 GLU A 166
ALA A 213
GLY A 212
LEU A 211
TYR A  33
 None
 1.36A 4oadA-2qneA:
1.4		 4oadA-2qneA:
16.19
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.
2vca ALPHA-N-ACETYLGLUCOS
AMINIDASE

(Clostridium
perfringens) 		PF00754
(F5_F8_type_C)
PF05089
(NAGLU)
PF12971
(NAGLU_N)
PF12972
(NAGLU_C) 		5 ARG A 768
ALA A 895
GLY A 892
LEU A 891
TYR A 708
 None
 1.38A 4oadA-2vcaA:
undetectable		 4oadA-2vcaA:
10.44
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.
2vdc GLUTAMATE SYNTHASE
[NADPH] LARGE CHAIN

(Azospirillum
brasilense) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		5 PRO A 326
GLU A 325
ASN A 528
GLY A 527
LEU A 526
 None
 1.46A 4oadA-2vdcA:
undetectable		 4oadA-2vdcA:
7.78
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.
2x7j 2-SUCCINYL-5-ENOLPYR
UVYL-6-HYDROXY-3-CYC
LOHEXENE
-1-CARBOXYLATE
SYNTHASE

(Bacillus
subtilis) 		PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
PF16582
(TPP_enzyme_M_2) 		5 PHE A 534
PRO A 528
ALA A 518
GLY A 523
LEU A 547
 None
 1.44A 4oadA-2x7jA:
undetectable		 4oadA-2x7jA:
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.
2xbz RETS-HYBRID SENSOR
KINASE

(Pseudomonas
aeruginosa) 		PF07696
(7TMR-DISMED2) 		5 PRO A 168
MET A 170
GLY A 131
LEU A 114
TYR A 146
 None
 1.39A 4oadA-2xbzA:
undetectable		 4oadA-2xbzA:
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.
2z0j PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA1438

(Thermus
thermophilus) 		PF04029
(2-ph_phosp) 		5 GLU A  36
ARG A 236
ASN A 120
ALA A 123
LEU A 127
 None
 1.25A 4oadA-2z0jA:
undetectable		 4oadA-2z0jA:
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.
2zuk ALPHA-AMINO-EPSILON-
CAPROLACTAM RACEMASE

(Achromobacter
obae) 		PF00202
(Aminotran_3) 		5 PRO A 206
GLU A 205
CYH A 237
ASN A 114
GLY A 110
 None
PLP  A 450 (-4.0A)
None
PLP  A 450 (-4.6A)
PLP  A 450 (-3.4A)
 1.31A 4oadA-2zukA:
undetectable		 4oadA-2zukA:
17.59
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.
3a14 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Thermotoga
maritima) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		5 PRO A 140
ASN A 116
ALA A 101
GLY A  98
LEU A  99
 None
NDP  A3001 (-4.0A)
None
None
None
 1.49A 4oadA-3a14A:
undetectable		 4oadA-3a14A:
17.92
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.
3ihm STYRENE
MONOOXYGENASE A

(Pseudomonas
putida) 		no annotation 5 TYR A 388
MET A 310
ARG A  57
ASN A 387
ALA A  52
 None
 1.50A 4oadA-3ihmA:
undetectable		 4oadA-3ihmA:
16.27
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.
3j9d OUTER CAPSID PROTEIN
VP2

(Bluetongue
virus) 		PF00898
(Orbi_VP2) 		5 PRO A 117
ASN A  47
ALA A 130
GLY A 121
LEU A 122
 None
 1.41A 4oadA-3j9dA:
undetectable		 4oadA-3j9dA:
9.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kkw PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		PF00583
(Acetyltransf_1) 		12 PHE A  19
PRO A  20
GLU A  25
TYR A  28
CYH A  29
MET A  82
ARG A  88
ASN A 121
ALA A 123
GLY A 124
LEU A 127
TYR A 128
 None
EDO  A 163 ( 4.2A)
EDO  A 177 ( 3.3A)
None
EDO  A 163 ( 3.5A)
None
EDO  A 177 ( 3.5A)
EDO  A 174 (-3.2A)
None
EDO  A 174 (-3.6A)
SO4  A 162 (-3.9A)
EDO  A 176 ( 4.8A)
 0.22A 4oadA-3kkwA:
31.9		 4oadA-3kkwA:
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.
3nf2 PUTATIVE POLYPRENYL
SYNTHETASE

(Streptomyces
coelicolor) 		PF00348
(polyprenyl_synt) 		5 GLU A 244
ARG A 181
ALA A 230
GLY A 229
LEU A 232
 None
 1.35A 4oadA-3nf2A:
undetectable		 4oadA-3nf2A:
19.31
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.
3nqp SUSD SUPERFAMILY
PROTEIN

(Bacteroides
fragilis) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 GLU A 233
CYH A 229
ALA A 149
GLY A 146
LEU A 147
 None
 1.37A 4oadA-3nqpA:
undetectable		 4oadA-3nqpA:
15.07
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.
3nv9 MALIC ENZYME

(Entamoeba
histolytica) 		PF00390
(malic)
PF03949
(Malic_M) 		5 GLU A 392
ASN A 208
ALA A 204
GLY A 205
LEU A 206
 None
 1.40A 4oadA-3nv9A:
undetectable		 4oadA-3nv9A:
15.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ohm 1-PHOSPHATIDYLINOSIT
OL-4,5-BISPHOSPHATE
PHOSPHODIESTERASE
BETA-3

(Homo sapiens) 		PF00168
(C2)
PF00387
(PI-PLC-Y)
PF00388
(PI-PLC-X)
PF09279
(EF-hand_like) 		5 GLU B 214
ARG B 298
GLY B 301
LEU B 300
TYR B 822
 None
 1.48A 4oadA-3ohmB:
undetectable		 4oadA-3ohmB:
9.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ohm 1-PHOSPHATIDYLINOSIT
OL-4,5-BISPHOSPHATE
PHOSPHODIESTERASE
BETA-3

(Homo sapiens) 		PF00168
(C2)
PF00387
(PI-PLC-Y)
PF00388
(PI-PLC-X)
PF09279
(EF-hand_like) 		5 GLU B 214
ASN B 150
GLY B 301
LEU B 300
TYR B 822
 None
 1.23A 4oadA-3ohmB:
undetectable		 4oadA-3ohmB:
9.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3owc PROBABLE
ACETYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00583
(Acetyltransf_1) 		5 ARG A 104
ASN A 137
ALA A 139
LEU A 143
TYR A 144
 COA  A2598 (-3.6A)
COA  A2598 (-3.3A)
COA  A2598 ( 4.0A)
COA  A2598 ( 4.5A)
None
 0.52A 4oadA-3owcA:
20.1		 4oadA-3owcA:
24.88
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.
3qtd PMBA PROTEIN

(Pseudomonas
aeruginosa) 		PF01523
(PmbA_TldD) 		5 ARG A 430
ASN A 349
ALA A 299
GLY A 301
LEU A 300
 None
 1.26A 4oadA-3qtdA:
undetectable		 4oadA-3qtdA:
17.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r4v PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pseudomonas
phage 201phi2-1) 		PF00091
(Tubulin) 		5 PHE A   9
ASN A 155
ALA A 120
GLY A 119
LEU A  90
 None
GDP  A 400 (-3.1A)
GDP  A 400 (-3.4A)
None
None
 1.44A 4oadA-3r4vA:
undetectable		 4oadA-3r4vA:
19.47
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.
3sc2 SERINE
CARBOXYPEPTIDASE II
(CPDW-II)

(Triticum
aestivum) 		PF00450
(Peptidase_S10) 		5 PRO B 342
TYR B 348
ALA B 352
GLY B 351
LEU B 353
 None
 1.45A 4oadA-3sc2B:
undetectable		 4oadA-3sc2B:
20.97
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.
3ue1 PENICILLIN-BINDING
PROTEIN 1A

(Acinetobacter
baumannii) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF17092
(PCB_OB) 		5 PRO A 552
ARG A 549
ASN A 545
GLY A 547
LEU A 634
 None
 1.39A 4oadA-3ue1A:
undetectable		 4oadA-3ue1A:
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.
3zpp CELL WALL SURFACE
ANCHOR FAMILY
PROTEIN

(Streptococcus
pneumoniae) 		PF12708
(Pectate_lyase_3)
PF13229
(Beta_helix) 		5 TYR A 441
ARG A 431
ASN A 439
ALA A 402
LEU A 437
 None
 1.44A 4oadA-3zppA:
undetectable		 4oadA-3zppA:
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.
4cu8 GLYCOSIDE HYDROLASE
2

(Streptococcus
pneumoniae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 PHE A 507
GLU A 567
ASN A 569
GLY A 570
LEU A 575
 None
None
EDO  A2014 (-4.2A)
None
None
 1.40A 4oadA-4cu8A:
undetectable		 4oadA-4cu8A:
11.43
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.
4doh INTERLEUKIN-20
INTERLEUKIN-20
RECEPTOR SUBUNIT
ALPHA

(Homo sapiens;
Homo sapiens) 		PF00726
(IL10)
no annotation 		5 PHE R 132
PRO R 131
GLU R 134
GLY A 163
LEU A 165
 None
 1.41A 4oadA-4dohR:
undetectable		 4oadA-4dohR:
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.
4e4g METHYLMALONATE-SEMIA
LDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00171
(Aldedh) 		5 PHE A 147
GLU A 174
ARG A 175
GLY A  31
TYR A   0
 None
 1.35A 4oadA-4e4gA:
undetectable		 4oadA-4e4gA:
13.80
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.
4euk HISTIDINE KINASE 5

(Arabidopsis
thaliana) 		PF00072
(Response_reg) 		5 PRO A 879
ARG A 844
ALA A 839
GLY A 836
LEU A 837
 None
 1.22A 4oadA-4eukA:
undetectable		 4oadA-4eukA:
20.12
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.
4ewj ENOLASE 2

(Streptococcus
suis) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 PHE A 355
GLU A 359
ALA A 364
GLY A 365
TYR A 431
 None
 1.46A 4oadA-4ewjA:
undetectable		 4oadA-4ewjA:
19.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gnr ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN-BRANCHED
CHAIN AMINO ACID
TRANSPORT

(Streptococcus
pneumoniae) 		PF13458
(Peripla_BP_6) 		5 GLU A  49
ALA A  64
GLY A  63
LEU A  66
TYR A 304
 None
 1.11A 4oadA-4gnrA:
undetectable		 4oadA-4gnrA:
19.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hds ARSB

(Sporomusa ovata) 		PF02277
(DBI_PRT) 		5 MET B  63
ASN B  67
ALA B 179
GLY B 176
LEU B 177
 None
 1.48A 4oadA-4hdsB:
undetectable		 4oadA-4hdsB:
19.83
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.
4k35 GLYCOSIDE HYDROLASE
FAMILY 81
ENDO-BETA-1,3-GLUCAN
ASE

(Rhizomucor
miehei) 		PF03639
(Glyco_hydro_81) 		5 PRO A  63
ASN A  49
ALA A 546
GLY A 545
LEU A 547
 None
 1.50A 4oadA-4k35A:
undetectable		 4oadA-4k35A:
12.73
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.
4kvx N-TERMINAL
ACETYLTRANSFERASE A
COMPLEX CATALYTIC
SUBUNIT ARD1

(Schizosaccharomyces
pombe) 		PF00583
(Acetyltransf_1) 		5 ARG A  83
ASN A 116
ALA A 118
LEU A 122
TYR A 123
 ACO  A 201 (-3.7A)
ACO  A 201 (-3.1A)
ACO  A 201 (-3.4A)
ACO  A 201 (-3.7A)
None
 0.73A 4oadA-4kvxA:
16.8		 4oadA-4kvxA:
22.42
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.
4kw3 NS1

(Human bocavirus) 		no annotation 5 PHE A 207
PRO A 204
ASN A 248
LEU A 246
TYR A  83
 None
 1.46A 4oadA-4kw3A:
undetectable		 4oadA-4kw3A:
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.
4nbr HYPOTHETICAL
3-OXOACYL-(ACYL-CARR
IER PROTEIN)
REDUCTASE

(Brucella
abortus) 		PF13561
(adh_short_C2) 		5 GLU A 235
ARG A 229
ALA A 259
GLY A 203
LEU A 262
 None
None
None
GOL  A 301 (-4.7A)
None
 1.34A 4oadA-4nbrA:
undetectable		 4oadA-4nbrA:
22.34
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.
4o1m ENOYL-ACYL CARRIER
REDUCTASE

(Toxoplasma
gondii) 		PF13561
(adh_short_C2) 		5 PHE A 157
TYR A  23
ALA A 269
GLY A 267
LEU A 271
 None
NAD  A 401 (-4.9A)
None
None
None
 1.47A 4oadA-4o1mA:
undetectable		 4oadA-4o1mA:
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.
4pet EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, FAMILY 7

(Colwellia
psychrerythraea) 		PF03480
(DctP) 		5 PRO A 199
ARG A 179
ALA A 184
GLY A 185
LEU A 188
 None
PYR  A 402 (-2.8A)
None
None
None
 1.42A 4oadA-4petA:
undetectable		 4oadA-4petA:
18.15
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.
4qj4 1-PHOSPHATIDYLINOSIT
OL 4,5-BISPHOSPHATE
PHOSPHODIESTERASE
BETA-3

(Homo sapiens) 		PF00168
(C2)
PF00387
(PI-PLC-Y)
PF00388
(PI-PLC-X)
PF09279
(EF-hand_like) 		5 GLU B 214
ASN B 150
GLY B 301
LEU B 300
TYR B 822
 None
 1.15A 4oadA-4qj4B:
undetectable		 4oadA-4qj4B:
10.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rkm MCCA

(Wolinella
succinogenes) 		no annotation 5 PHE A 509
TYR A 499
ASN A 275
ALA A 283
GLY A 276
 None
BU3  A 804 ( 3.7A)
None
None
None
 1.44A 4oadA-4rkmA:
undetectable		 4oadA-4rkmA:
12.15
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.
4uul L-LACTATE
DEHYDROGENASE

(Trichomonas
vaginalis) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 PHE A 151
PRO A 270
MET A 140
ALA A 327
LEU A 331
 None
 1.36A 4oadA-4uulA:
undetectable		 4oadA-4uulA:
18.64
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.
4wxu MYOCILIN

(Homo sapiens) 		PF02191
(OLF) 		5 PRO A 370
TYR A 365
ALA A 339
GLY A 338
LEU A 322
 None
 1.46A 4oadA-4wxuA:
undetectable		 4oadA-4wxuA:
22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xpr ALPHA-GLUCOSIDASE

(Pseudopedobacter
saltans) 		PF01055
(Glyco_hydro_31)
PF17137
(DUF5110) 		5 PRO A 267
GLU A 266
ASN A 303
GLY A 415
TYR A 429
 None
EDO  A1005 (-2.9A)
None
None
None
 1.45A 4oadA-4xprA:
undetectable		 4oadA-4xprA:
14.01
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.
4y9l PROTEIN ACDH-11,
ISOFORM B

(Caenorhabditis
elegans) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M) 		5 PHE A 391
GLU A 392
ALA A 556
GLY A 555
TYR A 579
 None
 1.18A 4oadA-4y9lA:
undetectable		 4oadA-4y9lA:
15.65
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.
5bk6 PUTATIVE AMIDASE

(Rhizobium
leguminosarum) 		no annotation 5 TYR A  21
ASN A  22
ALA A  24
GLY A  23
LEU A  25
 None
 1.36A 4oadA-5bk6A:
undetectable		 4oadA-5bk6A:
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.
5bnd ABC TRANSPORTER,
ATP-BINDING PROTEIN

(Staphylococcus
epidermidis) 		no annotation 5 TYR A 386
ASN A 388
ALA A 390
GLY A 391
LEU A 392
 None
 1.47A 4oadA-5bndA:
undetectable		 4oadA-5bndA:
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.
5boe ENOLASE

(Staphylococcus
aureus) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 PHE A 354
GLU A 358
ALA A 363
GLY A 364
TYR A 430
 None
 1.39A 4oadA-5boeA:
undetectable		 4oadA-5boeA:
15.91
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.
5cm6 TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT

(Pseudoalteromonas
atlantica) 		PF03480
(DctP) 		5 PRO A 193
ARG A 173
ALA A 178
GLY A 179
LEU A 182
 None
PYR  A 401 (-2.9A)
None
None
None
 1.43A 4oadA-5cm6A:
undetectable		 4oadA-5cm6A:
17.32
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.
5dwd ESTERASE

(Pelagibacterium
halotolerans) 		PF02230
(Abhydrolase_2) 		5 PHE A  71
TYR A  68
ASN A  56
GLY A  33
LEU A  36
 None
 1.49A 4oadA-5dwdA:
undetectable		 4oadA-5dwdA:
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.
5e43 BETA-LACTAMASE

(Streptosporangium
roseum) 		PF13354
(Beta-lactamase2) 		5 TYR A 265
ARG A  44
ASN A 246
ALA A 244
GLY A 245
 None
NO3  A 301 ( 3.6A)
None
None
None
 1.34A 4oadA-5e43A:
undetectable		 4oadA-5e43A:
19.34
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.
5ej1 PUTATIVE CELLULOSE
SYNTHASE

(Rhodobacter
sphaeroides) 		PF03170
(BcsB) 		5 PHE B 125
GLU B 121
ALA B 143
GLY B 141
LEU B 140
 None
 1.32A 4oadA-5ej1B:
undetectable		 4oadA-5ej1B:
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.
5gam PRE-MRNA-SPLICING
FACTOR 8

(Saccharomyces
cerevisiae) 		PF08082
(PRO8NT)
PF08083
(PROCN) 		5 PRO A 206
GLU A 204
ALA A 567
GLY A 568
LEU A 571
 None
U  U  33 ( 4.9A)
None
None
None
 1.29A 4oadA-5gamA:
undetectable		 4oadA-5gamA:
10.90
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.
5ioj HALOALKYLPHOSPHORUS
HYDROLASE

(Sphingobium sp.
TCM1) 		no annotation 5 PHE A 490
PRO A 491
TYR A 514
GLY A 122
LEU A 573
 None
 1.42A 4oadA-5iojA:
undetectable		 4oadA-5iojA:
16.86
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.
5k04 N-TERMINAL
ACETYLTRANSFERASE B
COMPLEX SUBUNIT NAT3

(Candida
albicans) 		PF08445
(FR47) 		5 PRO B  22
ASN B 117
GLY B 120
LEU B 123
TYR B 124
 None
COA  B 202 (-4.2A)
COA  B 202 ( 3.8A)
COA  B 202 (-2.9A)
MES  B 201 (-4.5A)
 1.28A 4oadA-5k04B:
15.6		 4oadA-5k04B:
26.78
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.
5kzm TRYPTOPHAN SYNTHASE
ALPHA CHAIN
TRYPTOPHAN SYNTHASE
BETA CHAIN

(Francisella
tularensis;
Francisella
tularensis) 		PF00290
(Trp_syntA)
PF00291
(PALP) 		5 PRO B 269
MET B 286
ASN A 105
ALA A 109
GLY B 291
 None
 1.36A 4oadA-5kzmB:
undetectable		 4oadA-5kzmB:
18.45
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.
5m1q PHAGE TERMINASE
LARGE SUBUNIT

(Thermus phage
G20c) 		PF17289
(Terminase_6C) 		5 ARG A 284
ALA A 313
GLY A 312
LEU A 307
TYR A 441
 None
 1.45A 4oadA-5m1qA:
undetectable		 4oadA-5m1qA:
26.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m49 AMINOTRANSFERASE
CLASS-III

(Rhizobium
freirei) 		PF00202
(Aminotran_3) 		5 PRO A 206
GLU A 205
CYH A 237
ASN A 114
GLY A 110
 None
PLP  A 501 (-4.0A)
None
PLP  A 501 ( 4.8A)
PLP  A 501 (-3.2A)
 1.31A 4oadA-5m49A:
undetectable		 4oadA-5m49A:
20.29
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.
5m5p PRE-MRNA-SPLICING
HELICASE BRR2

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		5 ARG A1457
ASN A1755
ALA A1853
GLY A1850
LEU A1851
 None
 1.37A 4oadA-5m5pA:
undetectable		 4oadA-5m5pA:
6.28
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.
5nnp PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		PF00583
(Acetyltransf_1) 		5 ARG B  92
ASN B 125
ALA B 127
LEU B 131
TYR B 132
 None
 0.75A 4oadA-5nnpB:
15.6		 4oadA-5nnpB:
24.62
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.
5ol1 DNA POLYMERASE III
SUBUNIT ALPHA,DNA
POLYMERASE III
SUBUNIT ALPHA

(Synechocystis
sp. PCC 6803) 		no annotation 5 PRO A  59
ASN A  30
ALA A  32
GLY A  31
LEU A 139
 None
 1.34A 4oadA-5ol1A:
undetectable		 4oadA-5ol1A:
22.10
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.
5u24 PUTATIVE
AMINOTRANSFERASE

(Campylobacter
jejuni) 		PF01041
(DegT_DnrJ_EryC1) 		5 GLU A  40
CYH A 194
ARG A 207
ALA A 210
LEU A 209
 None
 1.45A 4oadA-5u24A:
undetectable		 4oadA-5u24A:
19.83
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.
5vbu CYTOCHROME P450
21-HYDROXYLASE

(Homo sapiens) 		PF00067
(p450) 		5 PHE A 422
ASN A 388
ALA A 392
GLY A 391
LEU A 394
 HEM  A 501 (-4.0A)
None
None
None
None
 1.37A 4oadA-5vbuA:
undetectable		 4oadA-5vbuA:
15.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vdb ACETYLTRANSFERASE
PA4794

(Pseudomonas
aeruginosa) 		PF00583
(Acetyltransf_1) 		12 PHE A  19
PRO A  20
GLU A  25
TYR A  28
CYH A  29
MET A  82
ARG A  88
ASN A 121
ALA A 123
GLY A 124
LEU A 127
TYR A 128
 None
None
93M  A 207 ( 3.9A)
93M  A 207 (-4.8A)
93M  A 207 (-4.6A)
None
93M  A 207 (-3.7A)
93M  A 207 (-3.0A)
93M  A 207 (-3.7A)
93M  A 207 ( 4.2A)
93M  A 207 (-3.5A)
93M  A 207 (-4.9A)
 0.51A 4oadA-5vdbA:
31.8		 4oadA-5vdbA:
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.
5wx1 SERINE PROTEASE NS3

(Pestivirus C) 		PF00271
(Helicase_C)
PF05578
(Peptidase_S31)
PF07652
(Flavi_DEAD) 		5 PRO A 643
GLU A 607
ALA A 673
GLY A 674
LEU A 677
 None
 1.48A 4oadA-5wx1A:
undetectable		 4oadA-5wx1A:
12.03
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.
6bcq TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY M
MEMBER 4

(Mus musculus) 		no annotation 5 GLU B 620
ARG B 597
ALA B 592
GLY B 591
LEU B 595
 None
 1.36A 4oadA-6bcqB:
undetectable		 4oadA-6bcqB:
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.
6bk1 UDP-GLYCOSYLTRANSFER
ASE 79

(Oryza sativa) 		no annotation 5 TYR A  52
ALA A  80
GLY A  78
LEU A  82
TYR A  88
 None
 1.48A 4oadA-6bk1A:
1.2		 4oadA-6bk1A:
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.
6c49 ALCOHOL
DEHYDROGENASE

(Acinetobacter
baumannii) 		no annotation 5 GLU A  38
TYR A  39
ALA A 148
GLY A 149
LEU A 152
 PEG  A 409 (-4.5A)
None
None
None
None
 1.13A 4oadA-6c49A:
undetectable		 4oadA-6c49A:
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.
6c62 BIURET HYDROLASE

(Pseudomonas sp.
ADP) 		no annotation 5 CYH A  40
ASN A  75
ALA A  86
GLY A  87
TYR A 134
 None
 1.40A 4oadA-6c62A:
undetectable		 4oadA-6c62A:
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.
6cmj CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 2

(Homo sapiens) 		no annotation 5 GLU A 432
ARG A 363
ALA A 370
GLY A 368
LEU A 371
 None
 1.41A 4oadA-6cmjA:
undetectable		 4oadA-6cmjA:
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.
6co9 PROBABLE
COA-TRANSFERASE
ALPHA SUBUNIT

(Rhodococcus
jostii) 		no annotation 5 PHE A 190
ASN A 173
ALA A 245
GLY A 246
LEU A 244
 None
 1.49A 4oadA-6co9A:
undetectable		 4oadA-6co9A:
undetectable