SIMILAR PATTERNS OF AMINO ACIDS FOR 2AVD_A_SAMA501

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.
1c4o DNA NUCLEOTIDE
EXCISION REPAIR
ENZYME UVRB

(Thermus
thermophilus) 		PF00271
(Helicase_C)
PF04851
(ResIII)
PF12344
(UvrB) 		5 TYR A  90
SER A  88
VAL A  59
ALA A  71
ALA A  67
 None
 1.50A 2avdA-1c4oA:
undetectable		 2avdA-1c4oA:
17.91
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.
1cte CATHEPSIN B

(Rattus
norvegicus) 		PF00112
(Peptidase_C1) 		5 GLY A  33
SER A 220
VAL A 247
ALA A  79
ALA A  34
 None
PYS  A 255 ( 3.8A)
None
None
None
 1.49A 2avdA-1cteA:
undetectable		 2avdA-1cteA:
22.76
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.
1d7w MYELOPEROXIDASE

(Homo sapiens) 		PF03098
(An_peroxidase) 		5 GLY C 302
ALA C 496
ALA C 305
TYR C 309
ARG C 307
 None
None
None
None
ACT  C1607 (-3.5A)
 1.30A 2avdA-1d7wC:
undetectable		 2avdA-1d7wC:
21.84
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.
1fvg PEPTIDE METHIONINE
SULFOXIDE REDUCTASE

(Bos taurus) 		PF01625
(PMSR) 		5 GLY A  69
ALA A 114
ALA A 158
ASP A 192
TYR A 160
 None
 1.17A 2avdA-1fvgA:
undetectable		 2avdA-1fvgA:
21.95
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.
1hpl LIPASE

(Equus caballus) 		PF00151
(Lipase)
PF01477
(PLAT) 		5 GLY A 174
TYR A 267
SER A 266
VAL A 199
ALA A 221
 None
 1.29A 2avdA-1hplA:
2.1		 2avdA-1hplA:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1i6q LACTOFERRIN

(Camelus
dromedarius) 		PF00405
(Transferrin) 		5 GLY A 472
PHE A 475
ALA A 668
TYR A 665
ARG A 674
 None
 1.40A 2avdA-1i6qA:
undetectable		 2avdA-1i6qA:
17.66
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.
1j9m DD-TRANSPEPTIDASE

(Streptomyces
sp. K15) 		PF00768
(Peptidase_S11) 		5 GLY A  97
TYR A  90
ALA A  72
ASP A 143
TYR A  66
 None
 1.34A 2avdA-1j9mA:
undetectable		 2avdA-1j9mA:
19.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ka0 HALOTOLERANCE
PROTEIN HAL2

(Saccharomyces
cerevisiae) 		PF00459
(Inositol_P) 		5 GLY A 174
SER A 211
ALA A 266
ALA A 157
ASP A 145
 None
 1.13A 2avdA-1ka0A:
2.1		 2avdA-1ka0A:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lkf LEUKOCIDIN F SUBUNIT

(Staphylococcus
aureus) 		PF07968
(Leukocidin) 		5 PHE A 225
TYR A  99
SER A 227
ALA A  23
TYR A 278
 None
 1.12A 2avdA-1lkfA:
undetectable		 2avdA-1lkfA:
17.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mir PROCATHEPSIN B

(Rattus
norvegicus) 		PF00112
(Peptidase_C1)
PF08127
(Propeptide_C1) 		5 GLY A  33
SER A 220
VAL A 247
ALA A  79
ALA A  34
 None
 1.47A 2avdA-1mirA:
undetectable		 2avdA-1mirA:
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.
1mjt NITRIC-OXIDE
SYNTHASE HOMOLOG

(Staphylococcus
aureus) 		PF02898
(NO_synthase) 		5 GLY A 127
TYR A 240
ALA A 126
ASP A 156
ARG A 124
 None
 1.48A 2avdA-1mjtA:
undetectable		 2avdA-1mjtA:
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.
1p0c NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Pelophylax
perezi) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A1180
PHE A1318
VAL A1202
ALA A1206
ALA A1181
 None
None
PO4  A1603 (-3.8A)
None
None
 1.48A 2avdA-1p0cA:
7.8		 2avdA-1p0cA:
22.16
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.
1pie GALACTOKINASE

(Lactococcus
lactis) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg) 		5 GLY A 342
PHE A 305
VAL A 358
ALA A 334
ALA A 343
 None
 1.44A 2avdA-1pieA:
undetectable		 2avdA-1pieA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qdq CATHEPSIN B

(Bos taurus) 		PF00112
(Peptidase_C1) 		5 GLY A  33
SER A 220
VAL A 247
ALA A  79
ALA A  34
 None
 1.42A 2avdA-1qdqA:
undetectable		 2avdA-1qdqA:
21.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago sativa) 		PF01596
(Methyltransf_3) 		6 GLY A  87
TYR A  92
ALA A 140
ALA A 164
ASP A 165
TYR A 172
 SAH  A 301 (-3.4A)
None
SAH  A 301 (-3.9A)
SAH  A 301 ( 3.7A)
SAH  A 301 ( 2.8A)
None
 0.75A 2avdA-1susA:
29.6		 2avdA-1susA:
34.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago sativa) 		PF01596
(Methyltransf_3) 		6 GLY A  87
TYR A  92
SER A  93
ALA A 164
ASP A 165
TYR A 172
 SAH  A 301 (-3.4A)
None
SAH  A 301 (-2.7A)
SAH  A 301 ( 3.7A)
SAH  A 301 ( 2.8A)
None
 0.77A 2avdA-1susA:
29.6		 2avdA-1susA:
34.96
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.
1uas ALPHA-GALACTOSIDASE

(Oryza sativa) 		PF16499
(Melibiase_2)
PF17450
(Melibiase_2_C) 		5 GLY A  75
PHE A  72
ALA A  78
ASP A  81
ARG A  29
 None
 1.05A 2avdA-1uasA:
undetectable		 2avdA-1uasA:
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.
1vb3 THREONINE SYNTHASE

(Escherichia
coli) 		PF00291
(PALP)
PF14821
(Thr_synth_N) 		5 GLY A 256
SER A 261
ALA A 255
ASP A 252
TYR A 225
 None
None
None
SO4  A 501 (-4.9A)
None
 1.46A 2avdA-1vb3A:
3.1		 2avdA-1vb3A:
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.
1vb3 THREONINE SYNTHASE

(Escherichia
coli) 		PF00291
(PALP)
PF14821
(Thr_synth_N) 		5 GLY A 256
SER A 261
VAL A 245
ALA A 255
TYR A 225
 None
 1.35A 2avdA-1vb3A:
3.1		 2avdA-1vb3A:
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.
1vkd CONSERVED
HYPOTHETICAL PROTEIN
TM1225

(Thermotoga
maritima) 		PF04041
(Glyco_hydro_130) 		5 GLY A 301
TYR A 105
ALA A 308
ALA A 302
TYR A 272
 None
 1.36A 2avdA-1vkdA:
undetectable		 2avdA-1vkdA:
19.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w7c LYSYL OXIDASE

(Komagataella
pastoris) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF09248
(DUF1965) 		5 GLY A 505
PHE A 390
SER A 386
VAL A 245
ALA A 504
 None
 1.23A 2avdA-1w7cA:
undetectable		 2avdA-1w7cA:
14.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wxx HYPOTHETICAL PROTEIN
TTHA1280

(Thermus
thermophilus) 		PF10672
(Methyltrans_SAM) 		5 GLY A 221
VAL A 259
ALA A 236
ALA A 247
ARG A 246
 None
 1.45A 2avdA-1wxxA:
17.9		 2avdA-1wxxA:
24.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2avd CATECHOL-O-METHYLTRA
NSFERASE

(Homo sapiens) 		PF01596
(Methyltransf_3) 		12 MET A  85
MET A  86
GLY A 110
PHE A 112
TYR A 115
SER A 116
VAL A 135
ALA A 163
ALA A 186
ASP A 187
TYR A 194
ARG A 212
 SAM  A 501 (-4.6A)
SAM  A 501 (-4.2A)
SAM  A 501 (-3.4A)
SAM  A 501 (-4.7A)
None
SAM  A 501 (-3.0A)
SAM  A 501 (-4.3A)
SAM  A 501 (-3.5A)
SAM  A 501 (-3.7A)
SAM  A 501 (-3.8A)
None
SAM  A 501 (-4.0A)
 0.00A 2avdA-2avdA:
43.5		 2avdA-2avdA:
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.
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 MET A 631
MET A 632
TYR A 507
ALA A 687
ASP A 688
 None
 1.39A 2avdA-2d3tA:
6.1		 2avdA-2d3tA:
14.61
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.
2dq7 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE FYN

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 MET X 124
GLY X 117
TYR X 126
ALA X 116
ARG X 123
 None
 1.43A 2avdA-2dq7X:
undetectable		 2avdA-2dq7X:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2few PTS SYSTEM
MANNITOL-SPECIFIC
EIICBA COMPONENT

(Escherichia
coli) 		PF00359
(PTS_EIIA_2) 		5 GLY A  78
PHE A   5
VAL A  80
ALA A 105
TYR A  42
 None
 1.36A 2avdA-2fewA:
undetectable		 2avdA-2fewA:
20.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hnk SAM-DEPENDENT
O-METHYLTRANSFERASE

(Leptospira
interrogans) 		PF01596
(Methyltransf_3) 		9 GLY A  68
PHE A  70
TYR A  73
SER A  74
VAL A  93
ALA A 121
ALA A 155
ASP A 156
TYR A 163
 SAH  A2001 (-3.3A)
SAH  A2001 (-4.4A)
None
SAH  A2001 (-2.9A)
SAH  A2001 (-4.1A)
SAH  A2001 (-3.3A)
SAH  A2001 ( 3.8A)
SAH  A2001 (-3.1A)
None
 0.62A 2avdA-2hnkA:
29.5		 2avdA-2hnkA:
35.42
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.
2i3o GAMMA-GLUTAMYLTRANSF
ERASE RELATED
PROTEIN

(Thermoplasma
acidophilum) 		PF01019
(G_glu_transpept) 		5 GLY A 410
SER A 345
VAL A 420
ALA A 489
ASP A 505
 None
 1.45A 2avdA-2i3oA:
undetectable		 2avdA-2i3oA:
17.97
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.
2i4c BICARBONATE
TRANSPORTER

(Synechocystis
sp. PCC 6803) 		PF13379
(NMT1_2) 		5 GLY A 209
TYR A 175
ALA A 208
ASP A 431
TYR A 204
 None
 1.21A 2avdA-2i4cA:
undetectable		 2avdA-2i4cA:
17.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p8u HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
CYTOPLASMIC

(Homo sapiens) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		5 GLY A 132
TYR A 375
SER A 374
VAL A 156
ALA A 135
 None
None
SCY  A 129 ( 4.2A)
None
None
 1.38A 2avdA-2p8uA:
undetectable		 2avdA-2p8uA:
18.84
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.
2pbh PROCATHEPSIN B

(Homo sapiens) 		PF00112
(Peptidase_C1)
PF08127
(Propeptide_C1) 		5 GLY A  33
SER A 220
VAL A 247
ALA A  79
ALA A  34
 None
 1.37A 2avdA-2pbhA:
undetectable		 2avdA-2pbhA:
20.13
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.
2qb6 EXOPOLYPHOSPHATASE

(Saccharomyces
cerevisiae) 		PF01368
(DHH)
PF02833
(DHHA2) 		5 MET A 206
GLY A 197
VAL A  88
ALA A  44
ALA A 198
 EDO  A 801 (-4.7A)
None
None
None
None
 1.43A 2avdA-2qb6A:
undetectable		 2avdA-2qb6A:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qw8 EUGENOL SYNTHASE 1

(Ocimum
basilicum) 		PF05368
(NmrA) 		5 TYR A 210
SER A 150
ALA A 121
ALA A 270
ASP A 268
 None
 1.25A 2avdA-2qw8A:
7.3		 2avdA-2qw8A:
21.61
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.
2r62 CELL DIVISION
PROTEASE FTSH
HOMOLOG

(Helicobacter
pylori) 		PF00004
(AAA) 		5 MET A 242
GLY A 236
PHE A 239
ALA A 273
ASP A 272
 None
 1.48A 2avdA-2r62A:
undetectable		 2avdA-2r62A:
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.
2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1

(Mycobacterium
tuberculosis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 MET A  86
GLY A 149
TYR A  82
SER A  81
ALA A 152
 None
 1.38A 2avdA-2wgeA:
undetectable		 2avdA-2wgeA:
21.33
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.
2xec PUTATIVE MALEATE
ISOMERASE

(Nocardia
farcinica) 		no annotation 5 GLY A 113
SER A 224
VAL A  91
ALA A 112
TYR A 144
 None
 1.45A 2avdA-2xecA:
undetectable		 2avdA-2xecA:
28.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xka FTSZ/TUBULIN-RELATED
PROTEIN

(Bacillus
thuringiensis) 		PF00091
(Tubulin) 		5 GLY A 284
PHE A 308
ASP A 305
TYR A 350
ARG A 302
 None
 1.50A 2avdA-2xkaA:
undetectable		 2avdA-2xkaA:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y3s TAML

(Streptomyces
sp. 307-9) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 GLY A 442
SER A 396
VAL A 433
ALA A 443
TYR A 468
 None
 1.34A 2avdA-2y3sA:
undetectable		 2avdA-2y3sA:
19.61
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.
3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE

(Thermoanaerobacterium
thermosulfurigenes) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		5 GLY A 156
TYR A 175
ALA A 153
ASP A 197
TYR A 152
 None
None
None
GOL  A 704 (-3.1A)
None
 1.22A 2avdA-3bmwA:
undetectable		 2avdA-3bmwA:
14.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3c3y O-METHYLTRANSFERASE

(Mesembryanthemum
crystallinum) 		PF01596
(Methyltransf_3) 		8 GLY A  78
PHE A  80
TYR A  83
SER A  84
ALA A 131
ALA A 155
ASP A 156
TYR A 163
 SAH  A 464 (-3.7A)
SAH  A 464 (-4.9A)
None
SAH  A 464 (-2.8A)
SAH  A 464 (-3.5A)
SAH  A 464 (-3.7A)
SAH  A 464 (-3.4A)
None
 0.59A 2avdA-3c3yA:
31.9		 2avdA-3c3yA:
37.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3cbg O-METHYLTRANSFERASE

(Synechocystis
sp. PCC 6803) 		PF01596
(Methyltransf_3) 		8 GLY A  68
PHE A  70
TYR A  73
SER A  74
ALA A 121
ALA A 144
ASP A 145
TYR A 152
 SAH  A 301 (-3.7A)
SAH  A 301 (-4.8A)
None
SAH  A 301 (-2.9A)
SAH  A 301 (-3.4A)
SAH  A 301 (-3.4A)
SAH  A 301 (-3.5A)
None
 0.58A 2avdA-3cbgA:
30.9		 2avdA-3cbgA:
39.32
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.
3cos ALCOHOL
DEHYDROGENASE 4

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 187
PHE A 325
VAL A 209
ALA A 213
ALA A 188
 None
None
NAD  A 400 ( 3.8A)
None
None
 1.49A 2avdA-3cosA:
7.2		 2avdA-3cosA:
20.49
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.
3d3s L-2,4-DIAMINOBUTYRIC
ACID
ACETYLTRANSFERASE

(Bordetella
parapertussis) 		PF00583
(Acetyltransf_1) 		5 GLY A  56
PHE A  57
ALA A  81
ALA A  47
ARG A   5
 None
 1.34A 2avdA-3d3sA:
undetectable		 2avdA-3d3sA:
22.92
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.
3dul O-METHYLTRANSFERASE,
PUTATIVE

(Bacillus cereus) 		PF01596
(Methyltransf_3) 		5 GLY A  66
TYR A  71
ALA A 119
ALA A 141
TYR A 149
 None
 1.08A 2avdA-3dulA:
23.4		 2avdA-3dulA:
28.69
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.
3es4 UNCHARACTERIZED
PROTEIN DUF861 WITH
A RMLC-LIKE CUPIN
FOLD

(Agrobacterium
fabrum) 		PF05899
(Cupin_3) 		5 GLY A  26
ALA A  20
ALA A  48
TYR A  53
ARG A 106
 None
None
None
None
EDO  A 117 (-3.8A)
 1.42A 2avdA-3es4A:
undetectable		 2avdA-3es4A:
17.83
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.
3h2u RAVER-1

(Homo sapiens) 		PF00076
(RRM_1) 		5 VAL B 136
ALA B 189
ALA B 178
TYR B 180
ARG B 160
 None
 1.28A 2avdA-3h2uB:
undetectable		 2avdA-3h2uB:
23.13
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.
3hdo HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE

(Geobacter
metallireducens) 		PF00155
(Aminotran_1_2) 		5 MET A 219
GLY A 222
SER A 211
ALA A 224
ALA A  86
 None
 1.39A 2avdA-3hdoA:
4.0		 2avdA-3hdoA:
24.37
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.
3ij3 CYTOSOL
AMINOPEPTIDASE

(Coxiella
burnetii) 		PF00883
(Peptidase_M17) 		5 GLY A 403
SER A 397
ALA A 343
ALA A 404
ASP A 425
 SO4  A 463 (-3.3A)
SO4  A 463 (-2.8A)
None
None
None
 1.45A 2avdA-3ij3A:
undetectable		 2avdA-3ij3A:
18.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3il7 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Staphylococcus
aureus) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 GLY A 138
TYR A 117
SER A 118
ALA A  58
ALA A 139
 None
 1.11A 2avdA-3il7A:
undetectable		 2avdA-3il7A:
20.38
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.
3j0c E1 ENVELOPE
GLYCOPROTEIN

(Venezuelan
equine
encephalitis
virus) 		PF01589
(Alpha_E1_glycop) 		5 GLY A 182
TYR A 262
ALA A 119
ALA A 181
TYR A 180
 None
 1.41A 2avdA-3j0cA:
undetectable		 2avdA-3j0cA:
18.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3j2u KINESIN-LIKE PROTEIN
KLP10A

(Drosophila
melanogaster) 		PF00225
(Kinesin) 		5 PHE K 365
TYR K 367
ALA K 397
ALA K 349
TYR K 345
 None
 1.48A 2avdA-3j2uK:
undetectable		 2avdA-3j2uK:
18.86
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.
3ldr FRUCTOSYLTRANSFERASE

(Aspergillus
japonicus) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		5 GLY A 238
PHE A 291
VAL A 235
ALA A 188
TYR A 149
 None
 1.49A 2avdA-3ldrA:
undetectable		 2avdA-3ldrA:
16.98
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.
3m1u PUTATIVE
GAMMA-D-GLUTAMYL-L-D
IAMINO ACID
ENDOPEPTIDASE

(Desulfovibrio
vulgaris) 		PF00877
(NLPC_P60)
PF12912
(N_NLPC_P60)
PF12913
(SH3_6)
PF12914
(SH3_7) 		5 MET A  94
GLY A 148
PHE A 193
ALA A 286
ASP A 224
 None
 1.19A 2avdA-3m1uA:
undetectable		 2avdA-3m1uA:
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.
3muo PROLYL ENDOPEPTIDASE

(Aeromonas
caviae) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 GLY A 576
PHE A 573
ALA A 575
TYR A 233
ARG A 201
 None
 1.25A 2avdA-3muoA:
undetectable		 2avdA-3muoA:
16.34
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.
3o5c CYTOCHROME C551
PEROXIDASE

(Shewanella
oneidensis) 		PF00034
(Cytochrom_C)
PF03150
(CCP_MauG) 		5 GLY A  43
PHE A  47
ALA A 162
ASP A 161
TYR A 149
 None
 1.44A 2avdA-3o5cA:
undetectable		 2avdA-3o5cA:
21.79
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.
3pb0 DIHYDRODIPICOLINATE
SYNTHASE

(Thermotoga
maritima) 		PF00701
(DHDPS) 		5 MET A 185
GLY A 201
ALA A 200
ASP A 171
TYR A 196
 None
 1.46A 2avdA-3pb0A:
undetectable		 2avdA-3pb0A:
24.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3r3h O-METHYLTRANSFERASE,
SAM-DEPENDENT

(Legionella
pneumophila) 		PF01596
(Methyltransf_3) 		7 GLY A  68
TYR A  73
SER A  74
ALA A 121
ALA A 144
ASP A 145
TYR A 152
 None
 0.90A 2avdA-3r3hA:
29.8		 2avdA-3r3hA:
40.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tfw PUTATIVE
O-METHYLTRANSFERASE

(Klebsiella
pneumoniae) 		PF01596
(Methyltransf_3) 		6 GLY A  69
TYR A  74
ALA A 122
ALA A 142
ASP A 143
TYR A 150
 None
 0.66A 2avdA-3tfwA:
27.0		 2avdA-3tfwA:
30.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tr6 O-METHYLTRANSFERASE

(Coxiella
burnetii) 		PF01596
(Methyltransf_3) 		9 GLY A  69
PHE A  71
TYR A  74
SER A  75
VAL A  94
ALA A 122
ALA A 145
ASP A 146
TYR A 153
 SAH  A 224 (-3.9A)
SAH  A 224 (-4.8A)
None
SAH  A 224 (-2.8A)
SAH  A 224 (-4.7A)
SAH  A 224 (-3.8A)
SAH  A 224 (-3.5A)
SAH  A 224 (-3.5A)
None
 0.42A 2avdA-3tr6A:
32.7		 2avdA-3tr6A:
46.72
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.
3tts BETA-GALACTOSIDASE

(Bacillus
circulans) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		5 GLY A 562
TYR A 541
SER A 540
ALA A 563
ASP A 564
 None
 1.42A 2avdA-3ttsA:
undetectable		 2avdA-3ttsA:
16.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vqr PUTATIVE
OXIDOREDUCTASE

(Aeropyrum
pernix) 		PF01266
(DAO) 		5 GLY A 388
TYR A 404
VAL A 362
ALA A 229
ALA A  18
 None
 1.18A 2avdA-3vqrA:
2.9		 2avdA-3vqrA:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4am3 POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Caulobacter
vibrioides) 		PF00013
(KH_1)
PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF03726
(PNPase) 		5 GLY A  29
PHE A  46
VAL A 113
ALA A  42
ALA A 137
 None
 1.32A 2avdA-4am3A:
undetectable		 2avdA-4am3A:
16.90
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.
4euo ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN (POLYAMINE)

(Agrobacterium
fabrum) 		PF13416
(SBP_bac_8) 		5 GLY A  83
TYR A 116
SER A 117
ALA A 246
TYR A 123
 None
None
None
None
ABU  A 404 ( 4.0A)
 1.41A 2avdA-4euoA:
undetectable		 2avdA-4euoA:
18.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fuu LEUCINE
AMINOPEPTIDASE

(Bacteroides
thetaiotaomicron) 		PF04389
(Peptidase_M28) 		5 GLY A 219
ALA A 216
ALA A 120
ASP A 174
TYR A 214
 None
 1.13A 2avdA-4fuuA:
undetectable		 2avdA-4fuuA:
23.32
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.
4kvf RHAMNOSE ABC
TRANSPORTER,
PERIPLASMIC
RHAMNOSE-BINDING
PROTEIN

(Kribbella
flavida) 		PF13407
(Peripla_BP_4) 		5 GLY A 313
SER A 318
VAL A 122
ALA A 159
ALA A 312
 None
 1.18A 2avdA-4kvfA:
undetectable		 2avdA-4kvfA:
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.
4l37 ARYLPHORIN

(Bombyx mori) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		5 GLY B 217
TYR B 211
ALA B 145
ALA B 220
TYR B 224
 None
 1.38A 2avdA-4l37B:
undetectable		 2avdA-4l37B:
14.76
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.
4pcl O-METHYLTRANSFERASE
FAMILY PROTEIN

(Anaplasma
phagocytophilum) 		PF01596
(Methyltransf_3) 		5 GLY A  64
SER A  70
ALA A 117
ALA A 137
TYR A 145
 SAM  A 301 (-3.4A)
SAM  A 301 (-2.9A)
SAM  A 301 (-3.3A)
SAM  A 301 ( 3.9A)
None
 0.58A 2avdA-4pclA:
28.0		 2avdA-4pclA:
24.69
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.
4ybr NICOTINATE-NUCLEOTID
E
ADENYLYLTRANSFERASE

(Mycobacterium
tuberculosis) 		PF01467
(CTP_transf_like) 		5 MET A   9
GLY A 131
ALA A 108
ASP A 109
TYR A 137
 NAP  A 301 (-3.5A)
None
None
None
None
 1.46A 2avdA-4ybrA:
undetectable		 2avdA-4ybrA:
24.37
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.
4ymg PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE

(Podospora
anserina) 		PF01596
(Methyltransf_3) 		7 MET A  48
GLY A  73
TYR A  78
SER A  79
ALA A 127
ALA A 145
TYR A 153
 SAM  A1001 (-4.8A)
SAM  A1001 (-3.3A)
None
SAM  A1001 (-2.7A)
SAM  A1001 (-3.4A)
SAM  A1001 ( 3.5A)
None
 0.59A 2avdA-4ymgA:
24.7		 2avdA-4ymgA:
27.86
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.
4zkt BONTOXILYSIN A

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N) 		5 MET A 172
GLY A 223
PHE A 178
SER A 180
ALA A 224
 None
 1.45A 2avdA-4zktA:
undetectable		 2avdA-4zktA:
10.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d7w SERRALYSIN

(Serratia
marcescens) 		PF00353
(HemolysinCabind)
PF00413
(Peptidase_M10)
PF08548
(Peptidase_M10_C) 		5 GLY A   5
PHE A 359
ALA A   3
ALA A   8
ASP A  11
 GLY  A   5 ( 0.0A)
PHE  A 359 ( 1.3A)
ALA  A   3 ( 0.0A)
ALA  A   8 ( 0.0A)
ASP  A  11 ( 0.5A)
 1.29A 2avdA-5d7wA:
undetectable		 2avdA-5d7wA:
19.62
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.
5ey9 LONG-CHAIN-FATTY-ACI
D--AMP LIGASE FADD32

(Mycobacterium
marinum) 		PF00501
(AMP-binding) 		5 GLY A 244
VAL A  25
ALA A  37
ALA A 240
TYR A  38
 None
 1.41A 2avdA-5ey9A:
undetectable		 2avdA-5ey9A:
18.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fms INTRAFLAGELLAR
TRANSPORT PROTEIN 52
HOMOLOG

(Mus musculus) 		PF09822
(ABC_transp_aux) 		5 MET A 219
GLY A  88
PHE A 170
ALA A 172
ASP A 113
 None
 1.49A 2avdA-5fmsA:
undetectable		 2avdA-5fmsA:
23.02
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.
5grv HOMO-SPECIFIC
DIABODY LIGHT CHAIN
HOMO-SPECIFIC
DIABODY HEAVY CHAIN

(Homo sapiens;
Homo sapiens) 		PF07686
(V-set)
PF07686
(V-set) 		5 GLY L 103
ALA K 158
ALA L 104
TYR K 160
ARG L  97
 None
 1.17A 2avdA-5grvL:
undetectable		 2avdA-5grvL:
20.80
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.
5idb NATTERIN-3

(Crassostrea
gigas) 		no annotation 5 GLY B  42
TYR B 100
ALA B  51
ALA B  31
TYR B  65
 None
 1.21A 2avdA-5idbB:
undetectable		 2avdA-5idbB:
21.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5kva CAFFEOYL-COA
O-METHYLTRANSFERASE

(Sorghum bicolor) 		PF01596
(Methyltransf_3) 		7 GLY A 101
TYR A 106
SER A 107
ALA A 154
ALA A 178
ASP A 179
TYR A 186
 SAM  A 301 (-3.4A)
None
SAM  A 301 (-2.8A)
SAM  A 301 (-3.7A)
SAM  A 301 (-3.7A)
SAM  A 301 (-3.1A)
None
 0.68A 2avdA-5kvaA:
30.6		 2avdA-5kvaA:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5log PUTATIVE
O-METHYLTRANSFERASE

(Myxococcus
xanthus) 		PF01596
(Methyltransf_3) 		8 GLY A  67
PHE A  69
TYR A  72
SER A  73
ALA A 120
ALA A 143
ASP A 144
TYR A 151
 SAH  A1001 (-3.5A)
None
None
SAH  A1001 (-2.7A)
SAH  A1001 (-3.4A)
SAH  A1001 (-3.7A)
SAH  A1001 (-3.8A)
None
 0.56A 2avdA-5logA:
32.6		 2avdA-5logA:
41.30
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.
5mfa MYELOPEROXIDASE

(Homo sapiens) 		PF03098
(An_peroxidase) 		5 GLY A 468
ALA A 662
ALA A 471
TYR A 475
ARG A 473
 None
None
None
PEG  A 819 (-4.8A)
None
 1.27A 2avdA-5mfaA:
undetectable		 2avdA-5mfaA:
16.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n5d METHYLTRANSFERASE

(Streptomyces
regensis) 		PF01596
(Methyltransf_3) 		6 GLY A  65
PHE A  67
SER A  72
ALA A 118
ALA A 140
TYR A 148
 SAM  A 306 (-3.2A)
SAM  A 306 (-4.2A)
None
SAM  A 306 (-3.5A)
SAM  A 306 (-3.6A)
None
 0.83A 2avdA-5n5dA:
28.4		 2avdA-5n5dA:
34.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n5d METHYLTRANSFERASE

(Streptomyces
regensis) 		PF01596
(Methyltransf_3) 		7 GLY A  65
PHE A  67
TYR A  70
SER A  71
ALA A 118
ALA A 140
TYR A 148
 SAM  A 306 (-3.2A)
SAM  A 306 (-4.2A)
None
SAM  A 306 (-2.2A)
SAM  A 306 (-3.5A)
SAM  A 306 (-3.6A)
None
 0.62A 2avdA-5n5dA:
28.4		 2avdA-5n5dA:
34.60
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.
5ofb MORC FAMILY CW-TYPE
ZINC FINGER PROTEIN
2

(Homo sapiens) 		no annotation 5 TYR B 418
SER B  94
VAL B 292
ALA B 355
ALA B 359
 None
 1.21A 2avdA-5ofbB:
undetectable		 2avdA-5ofbB:
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.
5ols RHAMNOGALACTURONAN
LYASE

(Bacteroides
thetaiotaomicron) 		no annotation 5 GLY A 283
PHE A 266
TYR A 315
SER A 340
ASP A 215
 None
None
None
None
CA  A 601 (-2.1A)
 1.43A 2avdA-5olsA:
undetectable		 2avdA-5olsA:
16.57
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.
5w3f TUBULIN ALPHA-1
CHAIN

(Saccharomyces
cerevisiae) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		5 MET A 378
PHE A 203
SER A 380
ALA A 388
ASP A 206
 None
 1.36A 2avdA-5w3fA:
undetectable		 2avdA-5w3fA:
18.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5x7f PUTATIVE
O-METHYLTRANSFERASE
RV1220C

(Mycobacterium
tuberculosis) 		PF01596
(Methyltransf_3) 		5 GLY A  66
SER A  72
ALA A 120
ALA A 139
TYR A 147
 SAM  A 301 (-3.5A)
SAM  A 301 (-2.8A)
SAM  A 301 (-3.5A)
SAM  A 301 (-3.5A)
None
 0.53A 2avdA-5x7fA:
27.4		 2avdA-5x7fA:
30.33
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.
5xvi GLUTAMATE
DEHYDROGENASE

(Aspergillus
niger) 		no annotation 5 GLY A 375
VAL A 438
ALA A 373
ALA A 377
TYR A 204
 None
 1.23A 2avdA-5xviA:
3.3		 2avdA-5xviA:
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.
5xvi GLUTAMATE
DEHYDROGENASE

(Aspergillus
niger) 		no annotation 5 PHE A 101
VAL A 438
ALA A 373
ALA A 377
TYR A 204
 None
 1.35A 2avdA-5xviA:
3.3		 2avdA-5xviA:
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.
5ya1 AUTOINDUCER-2 KINASE

(Escherichia
coli) 		no annotation 5 GLY A 250
SER A 188
VAL A 248
ALA A 176
ALA A  89
 None
 1.45A 2avdA-5ya1A:
undetectable		 2avdA-5ya1A:
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.
5zw4 PUTATIVE
O-METHYLTRANSFERASE
YRRM

(Bacillus
subtilis) 		no annotation 6 MET A  38
GLY A  62
TYR A  67
SER A  68
ALA A 114
ALA A 134
 None
SAM  A 302 (-3.4A)
None
SAM  A 302 (-2.7A)
SAM  A 302 (-3.7A)
SAM  A 302 (-3.4A)
 0.73A 2avdA-5zw4A:
24.7		 2avdA-5zw4A:
28.24
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.
6esq HYDROXYMETHYLGLUTARY
L-COA SYNTHASE

(Methanothermococcus
thermolithotrophicus) 		no annotation 5 GLY I 117
TYR I 298
SER I 297
VAL I  79
ALA I 138
 None
 1.47A 2avdA-6esqI:
undetectable		 2avdA-6esqI:
undetectable