SIMILAR PATTERNS OF AMINO ACIDS FOR 3R76_A_BEZA701_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.
1bkh MUCONATE LACTONIZING
ENZYME

(Pseudomonas
putida) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A 274
GLY A 308
THR A 309
GLU A  50
THR A  52
 None
 1.20A 3r76A-1bkhA:
undetectable		 3r76A-1bkhA:
22.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1i7q ANTHRANILATE
SYNTHASE

(Serratia
marcescens) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		9 GLU A 309
ILE A 326
GLY A 328
THR A 329
GLU A 361
HIS A 398
ARG A 469
GLU A 498
LYS A 502
 BEZ  A1501 (-3.8A)
BEZ  A1501 (-3.9A)
BEZ  A1501 (-3.3A)
BEZ  A1501 (-3.9A)
MG  A1701 ( 3.1A)
BEZ  A1501 ( 4.2A)
PYR  A1601 ( 3.9A)
MG  A1701 ( 2.6A)
BEZ  A1501 ( 2.9A)
 0.43A 3r76A-1i7qA:
38.0		 3r76A-1i7qA:
24.22
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.
1i7q ANTHRANILATE
SYNTHASE

(Serratia
marcescens) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		7 GLY A 328
THR A 329
GLU A 358
HIS A 398
ARG A 469
GLU A 498
LYS A 502
 BEZ  A1501 (-3.3A)
BEZ  A1501 (-3.9A)
MG  A1701 ( 4.3A)
BEZ  A1501 ( 4.2A)
PYR  A1601 ( 3.9A)
MG  A1701 ( 2.6A)
BEZ  A1501 ( 2.9A)
 1.46A 3r76A-1i7qA:
38.0		 3r76A-1i7qA:
24.22
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.
1mhm S-ADENOSYLMETHIONINE
DECARBOXYLASE

(Solanum
tuberosum) 		PF01536
(SAM_decarbox) 		5 ILE A 329
SER A 328
GLY A 327
HIS A 294
THR A 299
 None
 1.25A 3r76A-1mhmA:
undetectable		 3r76A-1mhmA:
18.66
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.
1qdl PROTEIN
(ANTHRANILATE
SYNTHASE
(TRPE-SUBUNIT))

(Sulfolobus
solfataricus) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		5 GLU A 225
ILE A 240
GLY A 242
THR A 243
HIS A 306
 None
 0.39A 3r76A-1qdlA:
41.6		 3r76A-1qdlA:
21.25
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.
1wlm PROTEIN CGI-38

(Mus musculus) 		PF05517
(p25-alpha) 		5 GLU A 144
SER A 141
GLY A 140
THR A 139
HIS A 142
 None
 1.15A 3r76A-1wlmA:
undetectable		 3r76A-1wlmA:
12.86
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.
2b3x IRON-RESPONSIVE
ELEMENT BINDING
PROTEIN 1

(Homo sapiens) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		5 GLU A 225
ILE A 235
SER A 236
GLU A  75
THR A 867
 None
 1.37A 3r76A-2b3xA:
undetectable		 3r76A-2b3xA:
20.68
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.
2crq MITOCHONDRIAL
TRANSLATIONAL
INITIATION FACTOR 3

(Mus musculus) 		PF00707
(IF3_C) 		5 ILE A  87
GLY A  90
THR A  91
GLU A  60
THR A  63
 None
 1.46A 3r76A-2crqA:
undetectable		 3r76A-2crqA:
9.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 ILE A 145
GLY A 148
GLU A 274
THR A 152
GLU A 120
 None
 0.88A 3r76A-2d3tA:
3.1		 3r76A-2d3tA:
23.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ghs AGR_C_1268P

(Agrobacterium
fabrum) 		PF08450
(SGL) 		5 ILE A 151
SER A 150
GLY A 149
THR A 139
GLU A 116
 None
 1.15A 3r76A-2ghsA:
undetectable		 3r76A-2ghsA:
20.22
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.
2pm9 PROTEIN TRANSPORT
PROTEIN SEC31

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		5 ILE A 260
SER A 276
THR A 281
HIS A 256
THR A 306
 None
 1.45A 3r76A-2pm9A:
undetectable		 3r76A-2pm9A:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pyy IONOTROPIC GLUTAMATE
RECEPTOR BACTERIAL
HOMOLOGUE

(Nostoc
punctiforme) 		PF00497
(SBP_bac_3) 		5 GLU A 182
SER A 119
GLY A 118
THR A 115
GLU A 134
 None
GLU  A1620 (-4.7A)
None
None
None
 1.45A 3r76A-2pyyA:
2.2		 3r76A-2pyyA:
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.
2qvp UNCHARACTERIZED
PROTEIN

(Shewanella
amazonensis) 		PF04952
(AstE_AspA) 		5 SER A 191
GLY A 188
GLU A 182
HIS A 192
THR A 180
 None
SO4  A 276 (-3.2A)
None
None
None
 1.44A 3r76A-2qvpA:
undetectable		 3r76A-2qvpA:
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.
2qwv UPF0217 PROTEIN
VC_A1059

(Vibrio cholerae) 		PF04013
(Methyltrn_RNA_2) 		5 GLU A 104
ILE A 118
SER A 119
GLU A 121
GLU A  60
 None
 1.45A 3r76A-2qwvA:
undetectable		 3r76A-2qwvA:
18.01
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.
2wvg PYRUVATE
DECARBOXYLASE

(Zymomonas
mobilis) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 GLY A 416
GLU A 387
HIS A 414
THR A 388
GLU A 409
 None
None
TPU  A 600 (-3.3A)
TPU  A 600 ( 4.7A)
None
 1.49A 3r76A-2wvgA:
2.1		 3r76A-2wvgA:
25.11
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.
2x58 PEROXISOMAL
BIFUNCTIONAL ENZYME

(Rattus
norvegicus) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 ILE A 128
GLY A 131
GLU A 251
THR A 135
GLU A 103
 None
GOL  A 770 (-3.7A)
None
None
GOL  A 770 (-2.9A)
 1.08A 3r76A-2x58A:
0.0		 3r76A-2x58A:
23.91
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.
2y9e MYOSIN-2

(Dictyostelium
discoideum) 		PF00063
(Myosin_head)
PF02736
(Myosin_N) 		5 ILE X 455
SER X 456
GLY X 457
GLU X 459
GLU X 180
 None
 1.45A 3r76A-2y9eX:
undetectable		 3r76A-2y9eX:
23.74
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.
2yxe PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Methanocaldococcus
jannaschii) 		PF01135
(PCMT) 		5 ILE A 131
SER A 107
GLU A  83
ARG A 123
THR A  86
 None
 1.16A 3r76A-2yxeA:
undetectable		 3r76A-2yxeA:
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.
3bzm MENAQUINONE-SPECIFIC
ISOCHORISMATE
SYNTHASE

(Escherichia
coli) 		PF00425
(Chorismate_bind) 		7 GLU A 240
GLY A 257
THR A 258
HIS A 318
ARG A 387
GLU A 416
LYS A 420
 None
 0.61A 3r76A-3bzmA:
38.8		 3r76A-3bzmA:
22.90
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.
3d46 PUTATIVE GALACTONATE
DEHYDRATASE

(Salmonella
enterica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A 137
SER A 138
GLY A 308
THR A 311
HIS A 116
 None
 1.36A 3r76A-3d46A:
undetectable		 3r76A-3d46A:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d6c THERMONUCLEASE

(Staphylococcus
aureus) 		PF00565
(SNase) 		5 GLU A  57
SER A  59
GLY A  20
THR A  41
THR A  44
 None
None
None
CA  A 150 (-4.9A)
None
 1.36A 3r76A-3d6cA:
undetectable		 3r76A-3d6cA:
13.50
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.
3fcp L-ALA-D/L-GLU
EPIMERASE, A
MUCONATE LACTONIZING
ENZYME

(Klebsiella
pneumoniae) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A 275
GLY A 309
THR A 310
GLU A  51
THR A  53
 None
 1.17A 3r76A-3fcpA:
undetectable		 3r76A-3fcpA:
22.00
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.
3fj4 MUCONATE
CYCLOISOMERASE

(Pseudomonas
protegens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A 276
GLY A 310
THR A 311
GLU A  52
THR A  54
 None
 1.17A 3r76A-3fj4A:
undetectable		 3r76A-3fj4A:
22.12
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.
3gei TRNA MODIFICATION
GTPASE MNME

(Chlorobaculum
tepidum) 		PF01926
(MMR_HSR1)
PF10396
(TrmE_N)
PF12631
(MnmE_helical) 		5 ILE A  32
SER A  33
GLY A  34
GLU A  91
THR A  89
 None
 1.13A 3r76A-3geiA:
5.9		 3r76A-3geiA:
24.16
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.
3gkb PUTATIVE ENOYL-COA
HYDRATASE

(Streptomyces
avermitilis) 		PF00378
(ECH_1) 		5 ILE A 147
GLY A 150
GLU A 234
THR A 154
GLU A 121
 None
 0.88A 3r76A-3gkbA:
undetectable		 3r76A-3gkbA:
20.03
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.
3gse MENAQUINONE-SPECIFIC
ISOCHORISMATE
SYNTHASE

(Yersinia pestis) 		PF00425
(Chorismate_bind) 		5 GLU A 258
GLY A 275
THR A 276
GLU A 302
HIS A 336
 None
 0.29A 3r76A-3gseA:
35.2		 3r76A-3gseA:
24.01
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.
3no8 BTB/POZ
DOMAIN-CONTAINING
PROTEIN 2

(Homo sapiens) 		PF08005
(PHR) 		5 ILE A 412
SER A 411
GLY A 410
HIS A 477
THR A 416
 None
 1.27A 3r76A-3no8A:
undetectable		 3r76A-3no8A:
13.49
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.
3os6 ISOCHORISMATE
SYNTHASE DHBC

(Bacillus
anthracis) 		PF00425
(Chorismate_bind) 		6 GLU A 197
GLY A 214
HIS A 276
ARG A 348
GLU A 377
LYS A 381
 None
SO4  A 404 (-3.8A)
None
None
SO4  A 404 (-4.1A)
SO4  A 404 (-2.9A)
 0.62A 3r76A-3os6A:
38.5		 3r76A-3os6A:
24.23
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.
3ppo GLYCINE
BETAINE/CARNITINE/CH
OLINE-BINDING
PROTEIN

(Bacillus
subtilis) 		PF04069
(OpuAC) 		5 ILE A 199
THR A  42
GLU A  43
ARG A 222
THR A 219
 None
 1.30A 3r76A-3ppoA:
undetectable		 3r76A-3ppoA:
18.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3r75 ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I

(Burkholderia
lata) 		PF00117
(GATase)
PF00425
(Chorismate_bind) 		11 GLU A 201
ILE A 216
SER A 217
GLY A 218
THR A 219
GLU A 244
HIS A 279
ARG A 352
THR A 369
GLU A 382
LYS A 386
 BEZ  A 701 ( 4.3A)
BEZ  A 701 (-4.2A)
BEZ  A 701 (-3.2A)
BEZ  A 701 (-3.5A)
BEZ  A 701 (-4.0A)
MG  A 700 ( 2.5A)
BEZ  A 701 (-3.8A)
PYR  A 702 ( 3.9A)
BEZ  A 701 (-4.1A)
MG  A 700 ( 2.5A)
PYR  A 702 ( 3.1A)
 0.13A 3r76A-3r75A:
71.0		 3r76A-3r75A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3r75 ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I

(Burkholderia
lata) 		PF00117
(GATase)
PF00425
(Chorismate_bind) 		5 GLU A 201
THR A 369
GLU A 382
THR A 219
GLU A 244
 BEZ  A 701 ( 4.3A)
BEZ  A 701 (-4.1A)
MG  A 700 ( 2.5A)
BEZ  A 701 (-4.0A)
MG  A 700 ( 2.5A)
 1.17A 3r76A-3r75A:
71.0		 3r76A-3r75A:
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.
3rr2 CYSTEINE SYNTHASE

(Mycobacterium
marinum) 		PF00291
(PALP) 		5 ILE A  11
GLY A  13
THR A  14
GLU A 161
THR A 157
 None
 1.33A 3r76A-3rr2A:
3.2		 3r76A-3rr2A:
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.
3rr2 CYSTEINE SYNTHASE

(Mycobacterium
marinum) 		PF00291
(PALP) 		5 ILE A  11
GLY A  13
THR A  14
GLU A 161
THR A 158
 None
 1.35A 3r76A-3rr2A:
3.2		 3r76A-3rr2A:
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.
4b8s ADP-DEPENDENT
GLUCOKINASE

(Thermococcus
litoralis) 		PF04587
(ADP_PFK_GK) 		5 ILE A 330
GLY A 328
GLU A 306
ARG A 405
THR A 353
 None
 1.07A 3r76A-4b8sA:
4.2		 3r76A-4b8sA:
23.18
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.
4bzk PROTEIN TRANSPORT
PROTEIN SEC31

(Saccharomyces
cerevisiae) 		PF00400
(WD40)
PF12931
(Sec16_C) 		5 ILE A 260
SER A 276
THR A 281
HIS A 256
THR A 306
 None
 1.45A 3r76A-4bzkA:
undetectable		 3r76A-4bzkA:
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.
4cak INTEGRIN ALPHA-IIB
INTEGRIN BETA-3

(Homo sapiens;
Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2)
PF00362
(Integrin_beta)
PF07965
(Integrin_B_tail)
PF07974
(EGF_2)
PF17205
(PSI_integrin) 		5 GLU B 475
GLY B 327
THR A 348
GLU A 315
THR B 329
 None
 1.39A 3r76A-4cakB:
undetectable		 3r76A-4cakB:
21.87
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.
4g4w PEPTIDOGLYCAN-ASSOCI
ATED LIPOPROTEIN

(Acinetobacter
baumannii) 		PF00691
(OmpA) 		5 GLU A 161
SER A 157
GLY A 117
THR A 116
HIS A 118
 None
 1.45A 3r76A-4g4wA:
undetectable		 3r76A-4g4wA:
12.61
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.
4gfh DNA TOPOISOMERASE 2

(Saccharomyces
cerevisiae) 		PF00204
(DNA_gyraseB)
PF00521
(DNA_topoisoIV)
PF01751
(Toprim)
PF02518
(HATPase_c)
PF16898
(TOPRIM_C) 		5 GLU A 449
ILE A 534
SER A 532
GLU A 679
GLU A 558
 None
 1.17A 3r76A-4gfhA:
2.4		 3r76A-4gfhA:
17.88
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.
4igb LPXTG CELL WALL
SURFACE PROTEIN

(Streptococcus
gordonii) 		no annotation 5 GLU D 232
ILE D 222
SER D 281
GLY D 282
THR D 271
 NA  D 504 (-2.7A)
None
None
None
None
 1.35A 3r76A-4igbD:
undetectable		 3r76A-4igbD:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4itx CYSTATHIONINE
BETA-LYASE METC

(Escherichia
coli) 		PF01053
(Cys_Met_Meta_PP) 		5 ILE A 159
SER A 158
GLY A 157
THR A 109
GLU A 154
 None
IN5  A 401 ( 4.0A)
None
None
IN5  A 401 (-3.7A)
 1.48A 3r76A-4itxA:
undetectable		 3r76A-4itxA:
21.21
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.
4rkm MCCA

(Wolinella
succinogenes) 		no annotation 5 GLU A 171
GLY A 203
THR A 162
HIS A 204
THR A 201
 None
HEM  A 807 (-3.6A)
HEM  A 809 (-3.5A)
HEM  A 809 ( 3.9A)
None
 1.47A 3r76A-4rkmA:
undetectable		 3r76A-4rkmA:
21.85
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.
5cwa ANTHRANILATE
SYNTHASE COMPONENT 1

(Mycobacterium
tuberculosis) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		5 GLU A 307
ILE A 322
GLY A 324
THR A 325
HIS A 388
 0GA  A 604 ( 4.5A)
0GA  A 604 ( 4.2A)
None
0GA  A 604 ( 4.6A)
0GA  A 604 ( 4.3A)
 0.27A 3r76A-5cwaA:
34.8		 3r76A-5cwaA:
24.10
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.
5ed1 DOUBLE-STRANDED
RNA-SPECIFIC EDITASE
1

(Homo sapiens) 		PF02137
(A_deamin) 		5 GLU A 396
ILE A 446
SER A 447
GLY A 548
GLU A 588
 ZN  A 802 ( 4.2A)
None
None
None
None
 1.39A 3r76A-5ed1A:
undetectable		 3r76A-5ed1A:
21.25
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.
5gwj DNA TOPOISOMERASE
2-BETA

(Homo sapiens) 		PF00521
(DNA_topoisoIV)
PF01751
(Toprim)
PF16898
(TOPRIM_C) 		5 GLU A 477
ILE A 565
SER A 563
GLU A 718
GLU A 588
 MG  A1303 ( 4.3A)
None
None
None
None
 1.02A 3r76A-5gwjA:
2.0		 3r76A-5gwjA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jy9 PUTATIVE SALICYLATE
SYNTHETASE

(Yersinia
enterocolitica) 		PF00425
(Chorismate_bind) 		8 GLU A 240
GLY A 257
THR A 258
GLU A 284
HIS A 321
ARG A 391
GLU A 420
LYS A 424
 None
ACT  A 503 (-3.2A)
ACT  A 503 (-3.7A)
FE2  A 501 ( 2.7A)
ACT  A 503 ( 4.1A)
ACT  A 502 (-3.5A)
FE2  A 501 ( 2.8A)
ACT  A 503 ( 2.3A)
 0.45A 3r76A-5jy9A:
43.5		 3r76A-5jy9A:
22.39
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.
5jy9 PUTATIVE SALICYLATE
SYNTHETASE

(Yersinia
enterocolitica) 		PF00425
(Chorismate_bind) 		5 GLY A 257
THR A 258
HIS A 321
ARG A 391
THR A 348
 ACT  A 503 (-3.2A)
ACT  A 503 (-3.7A)
ACT  A 503 ( 4.1A)
ACT  A 502 (-3.5A)
None
 1.18A 3r76A-5jy9A:
43.5		 3r76A-5jy9A:
22.39
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.
5jzd ISOCHORISMATE
SYNTHASE ENTC

(Escherichia
coli) 		PF00425
(Chorismate_bind) 		7 GLU A 197
GLY A 214
GLU A 241
HIS A 276
ARG A 347
GLU A 376
LYS A 380
 ISC  A 401 (-3.0A)
ISC  A 401 (-3.2A)
MG  A 402 ( 2.4A)
ISC  A 401 (-3.5A)
ISC  A 401 (-3.5A)
MG  A 402 ( 2.6A)
ISC  A 401 (-3.0A)
 0.45A 3r76A-5jzdA:
39.4		 3r76A-5jzdA:
22.27
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.
5wbl REGULATORY-ASSOCIATE
D PROTEIN OF TOR 1

(Arabidopsis
thaliana) 		no annotation 5 GLU A 711
ILE A 966
GLY A 968
GLU A  91
LYS A 622
 None
 1.10A 3r76A-5wblA:
2.8		 3r76A-5wblA:
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.
5ypt STILBENECARBOXYLATE
SYNTHASE 1

(Marchantia
polymorpha) 		no annotation 5 SER A 340
GLY A 341
GLU A 194
HIS A 305
THR A 134
 None
 1.49A 3r76A-5yptA:
0.4		 3r76A-5yptA:
undetectable