SIMILAR PATTERNS OF AMINO ACIDS FOR 3R75_A_BEZA701

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 3r75A-1bkhA:
undetectable		 3r75A-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)
 0.41A 3r75A-1i7qA:
37.8		 3r75A-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)
 1.44A 3r75A-1i7qA:
37.8		 3r75A-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.
1ihp PHYTASE

(Aspergillus
ficuum) 		PF00328
(His_Phos_2) 		5 ILE A 144
SER A 140
GLY A 139
GLU A 179
SER A 337
 None
 1.49A 3r75A-1ihpA:
undetectable		 3r75A-1ihpA:
22.31
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.
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
 1.23A 3r75A-1mhmA:
undetectable		 3r75A-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
 0.38A 3r75A-1qdlA:
41.3		 3r75A-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.
1vra ARGININE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
ARGJ
ARGININE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
ARGJ

(Bacillus
halodurans;
Bacillus
halodurans) 		PF01960
(ArgJ)
PF01960
(ArgJ) 		5 GLU B 283
GLY A 124
THR A 123
SER B 235
LYS B 197
 EDO  B  10 (-2.6A)
SO4  A 197 ( 3.3A)
SO4  A 197 (-3.9A)
None
SO4  A 197 (-3.8A)
 1.33A 3r75A-1vraB:
undetectable		 3r75A-1vraB:
16.33
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.
1vz8 ORNITHINE
ACETYL-TRANSFERASE

(Streptomyces
clavuligerus) 		PF01960
(ArgJ) 		5 GLU A 260
GLY A 112
THR A 111
SER A 219
LYS A 181
 None
SO4  A1391 (-3.3A)
SO4  A1391 (-3.4A)
None
SO4  A1391 (-4.4A)
 1.34A 3r75A-1vz8A:
undetectable		 3r75A-1vz8A:
22.69
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.
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
 1.16A 3r75A-1wlmA:
undetectable		 3r75A-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 3r75A-2b3xA:
undetectable		 3r75A-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
 1.48A 3r75A-2crqA:
undetectable		 3r75A-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 3r75A-2d3tA:
3.2		 3r75A-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
 1.14A 3r75A-2ghsA:
undetectable		 3r75A-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.
2jg7 ANTIQUITIN

(Acanthopagrus
schlegelii) 		PF00171
(Aldedh) 		5 SER A  33
GLY A  32
THR A  52
GLU A  58
THR A  55
 None
 1.43A 3r75A-2jg7A:
4.2		 3r75A-2jg7A:
23.28
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.
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
 1.48A 3r75A-2pm9A:
undetectable		 3r75A-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
 1.48A 3r75A-2pyyA:
undetectable		 3r75A-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.
2pyy IONOTROPIC GLUTAMATE
RECEPTOR BACTERIAL
HOMOLOGUE

(Nostoc
punctiforme) 		PF00497
(SBP_bac_3) 		5 ILE A  69
SER A  70
GLU A 182
SER A 119
THR A 120
 GLU  A1620 (-4.9A)
GLU  A1620 (-2.9A)
None
GLU  A1620 (-4.7A)
GLU  A1620 (-3.4A)
 1.41A 3r75A-2pyyA:
undetectable		 3r75A-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 3r75A-2qvpA:
undetectable		 3r75A-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
 1.43A 3r75A-2qwvA:
undetectable		 3r75A-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.
2tpt THYMIDINE
PHOSPHORYLASE

(Escherichia
coli) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		5 GLU A 194
ILE A 112
SER A 113
GLY A 114
SER A  86
 None
None
SO4  A 441 (-2.7A)
None
SO4  A 441 ( 4.4A)
 0.94A 3r75A-2tptA:
undetectable		 3r75A-2tptA:
24.27
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.
2v26 MYOSIN VI

(Sus scrofa) 		PF00063
(Myosin_head) 		5 ILE A 147
SER A 146
GLY A 453
SER A 144
THR A 661
 None
 1.14A 3r75A-2v26A:
2.0		 3r75A-2v26A:
21.00
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.
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)
 1.07A 3r75A-2x58A:
undetectable		 3r75A-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
GLY X 457
GLU X 459
SER X 181
LYS X 185
 None
 1.46A 3r75A-2y9eX:
undetectable		 3r75A-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.
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 3r75A-2y9eX:
undetectable		 3r75A-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
 1.17A 3r75A-2yxeA:
undetectable		 3r75A-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.
2z7x TOLL-LIKE RECEPTOR
1, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Homo sapiens) 		PF11921
(DUF3439)
PF13855
(LRR_8) 		5 ILE B 278
SER B 279
THR B 250
SER B 219
GLU B 217
 None
 1.50A 3r75A-2z7xB:
undetectable		 3r75A-2z7xB:
19.79
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.
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
 0.65A 3r75A-3bzmA:
38.8		 3r75A-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
 1.39A 3r75A-3d46A:
undetectable		 3r75A-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
 1.38A 3r75A-3d6cA:
undetectable		 3r75A-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.
3els PRE-MRNA LEAKAGE
PROTEIN 1

(Saccharomyces
cerevisiae) 		PF00498
(FHA) 		5 GLU A 192
SER A 189
GLY A 164
THR A 165
SER A 136
 None
 1.46A 3r75A-3elsA:
undetectable		 3r75A-3elsA:
13.40
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.
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
 1.19A 3r75A-3fcpA:
undetectable		 3r75A-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
 1.18A 3r75A-3fj4A:
undetectable		 3r75A-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
 1.16A 3r75A-3geiA:
undetectable		 3r75A-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
 0.89A 3r75A-3gkbA:
undetectable		 3r75A-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
 0.28A 3r75A-3gseA:
3.7		 3r75A-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.
3hdi PROCESSING PROTEASE

(Bacillus
halodurans) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		5 ILE A 398
SER A 397
GLY A 240
SER A 143
THR A 146
 None
 1.12A 3r75A-3hdiA:
undetectable		 3r75A-3hdiA:
19.91
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.
3it4 ARGININE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
ARGJ ALPHA CHAIN
ARGININE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
ARGJ BETA CHAIN

(Mycobacterium
tuberculosis;
Mycobacterium
tuberculosis) 		PF01960
(ArgJ)
PF01960
(ArgJ) 		5 GLU B 280
GLY A 128
THR A 127
SER B 238
LYS B 200
 None
 1.27A 3r75A-3it4B:
undetectable		 3r75A-3it4B:
16.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.23A 3r75A-3no8A:
undetectable		 3r75A-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)
 0.63A 3r75A-3os6A:
17.9		 3r75A-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
 1.31A 3r75A-3ppoA:
undetectable		 3r75A-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) 		12 GLU A 201
ILE A 216
SER A 217
GLY A 218
THR A 219
GLU A 244
HIS A 279
ARG A 352
SER A 368
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)
None
BEZ  A 701 (-4.1A)
MG  A 700 ( 2.5A)
PYR  A 702 ( 3.1A)
 0.00A 3r75A-3r75A:
74.2		 3r75A-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)
 1.12A 3r75A-3r75A:
74.2		 3r75A-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.
3rd8 FUMARATE HYDRATASE
CLASS II

(Mycolicibacterium
smegmatis) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		5 ILE A 360
SER A 102
GLY A 101
SER A 105
THR A 104
 None
 1.17A 3r75A-3rd8A:
undetectable		 3r75A-3rd8A:
22.50
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.
3rr2 CYSTEINE SYNTHASE

(Mycobacterium
marinum) 		PF00291
(PALP) 		5 ILE A  11
GLY A  13
THR A  14
GLU A 161
THR A 157
 None
 1.34A 3r75A-3rr2A:
3.3		 3r75A-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.
3rrp PROBABLE FUMARATE
HYDRATASE FUM

(Mycobacteroides
abscessus) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		5 ILE A 361
SER A 101
GLY A 100
SER A 104
THR A 103
 None
LMR  A 468 (-2.9A)
None
None
LMR  A 468 (-2.9A)
 1.15A 3r75A-3rrpA:
undetectable		 3r75A-3rrpA:
22.63
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.
3vtr N-ACETYLGLUCOSAMINID
ASE

(Ostrinia
furnacalis) 		PF00728
(Glyco_hydro_20)
PF14845
(Glycohydro_20b2) 		5 ILE A 203
SER A 204
GLY A  71
THR A  70
SER A 150
 None
 1.39A 3r75A-3vtrA:
undetectable		 3r75A-3vtrA:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4anj UNCONVENTIONAL
MYOSIN-VI, GREEN
FLUORESCENT PROTEIN

(Aequorea
victoria;
Sus scrofa) 		PF00063
(Myosin_head)
PF01353
(GFP) 		5 ILE A 147
SER A 146
GLY A 453
SER A 144
THR A 661
 None
 1.23A 3r75A-4anjA:
undetectable		 3r75A-4anjA:
20.24
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.
4apb FUMARATE HYDRATASE
CLASS II

(Mycobacterium
tuberculosis) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		5 ILE A 362
SER A 104
GLY A 103
SER A 107
THR A 106
 None
 1.14A 3r75A-4apbA:
undetectable		 3r75A-4apbA:
22.73
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.
4bin N-ACETYLMURAMOYL-L-A
LANINE AMIDASE AMIC

(Escherichia
coli) 		PF01520
(Amidase_3)
PF11741
(AMIN) 		5 SER A 275
GLY A 276
GLU A 382
HIS A 350
SER A 378
 None
 1.46A 3r75A-4binA:
undetectable		 3r75A-4binA:
21.65
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.
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
 1.48A 3r75A-4bzkA:
undetectable		 3r75A-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 3r75A-4cakB:
undetectable		 3r75A-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
 1.46A 3r75A-4g4wA:
undetectable		 3r75A-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 3r75A-4gfhA:
undetectable		 3r75A-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
 1.32A 3r75A-4igbD:
undetectable		 3r75A-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)
 1.49A 3r75A-4itxA:
undetectable		 3r75A-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.
4oyd APOPTOSIS REGULATOR
BHRF1

(Human
gammaherpesvirus
4) 		PF00452
(Bcl-2) 		5 ILE A  58
SER A  62
THR A  66
GLU A  63
HIS A 110
 None
 1.33A 3r75A-4oydA:
undetectable		 3r75A-4oydA:
12.78
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.
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
 1.48A 3r75A-4rkmA:
undetectable		 3r75A-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.
4rpf HOMOSERINE KINASE

(Yersinia pestis) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 ILE A 259
SER A 262
GLY A  95
SER A 183
THR A 184
 None
CIT  A 401 (-3.0A)
CIT  A 401 (-3.3A)
None
CIT  A 401 (-2.9A)
 1.39A 3r75A-4rpfA:
undetectable		 3r75A-4rpfA:
20.16
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.
4uri CHITINASE-RELATED
AGGLUTININ

(Robinia
pseudoacacia) 		PF00704
(Glyco_hydro_18) 		5 ILE A 162
SER A 159
GLY A 158
THR A 184
SER A 211
 None
None
None
None
MPD  A 402 (-2.7A)
 1.39A 3r75A-4uriA:
undetectable		 3r75A-4uriA:
21.19
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.
4zoq INTRACELLULAR SERINE
PROTEASE

(Bacillus
licheniformis) 		PF00082
(Peptidase_S8) 		5 GLU I 232
ILE I 390
SER I 391
GLU I 139
GLU I 395
 None
 1.29A 3r75A-4zoqI:
undetectable		 3r75A-4zoqI:
20.18
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.
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 3r75A-5cwaA:
34.5		 3r75A-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
 1.40A 3r75A-5ed1A:
undetectable		 3r75A-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
 1.03A 3r75A-5gwjA:
2.2		 3r75A-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.
5hgg CAMELID DERIVED
ANTIBODY FRAGMENT,
NB4

(Vicugna pacos) 		PF07686
(V-set) 		5 GLU S 115
GLY S 102
THR S 105
ARG S 111
SER S 108
 TWN  S 202 (-3.5A)
TWN  S 202 ( 4.5A)
None
None
None
 1.05A 3r75A-5hggS:
undetectable		 3r75A-5hggS:
11.96
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.
5j84 DIHYDROXY-ACID
DEHYDRATASE

(Rhizobium
leguminosarum) 		PF00920
(ILVD_EDD) 		5 SER A 276
GLY A 481
THR A 482
SER A 207
THR A 208
 None
 1.50A 3r75A-5j84A:
4.4		 3r75A-5j84A:
22.24
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.
5jpn COMPLEMENT C4-A

(Homo sapiens) 		PF01835
(A2M_N)
PF07703
(A2M_N_2) 		5 GLU A 392
SER A 399
GLY A 400
THR A 425
SER A 428
 None
 1.39A 3r75A-5jpnA:
undetectable		 3r75A-5jpnA:
22.84
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.
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)
 0.44A 3r75A-5jy9A:
43.6		 3r75A-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
 1.12A 3r75A-5jy9A:
43.6		 3r75A-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)
 0.48A 3r75A-5jzdA:
39.4		 3r75A-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.
5k8c 3-DEOXY-ALPHA-D-MANN
O-OCTULOSONATE
8-OXIDASE

(Shewanella
oneidensis) 		PF00465
(Fe-ADH) 		5 ILE A 141
SER A 142
GLY A 143
THR A 144
GLU A 147
 NAD  A 401 (-3.8A)
None
None
NAD  A 401 (-3.9A)
None
 1.12A 3r75A-5k8cA:
undetectable		 3r75A-5k8cA:
20.83
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.
5ken C4G7 VARIABLE FAB
DOMAIN HEAVY CHAIN

(Homo sapiens) 		PF07686
(V-set) 		5 GLU C  12
GLY C   8
THR C 107
SER C  21
GLU C   6
 None
 1.49A 3r75A-5kenC:
undetectable		 3r75A-5kenC:
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.
5lji FLAVODOXIN

(Streptococcus
pneumoniae) 		PF00258
(Flavodoxin_1) 		5 GLU A  67
SER A  10
GLY A  13
THR A  12
SER A  90
 None
FMN  A 201 (-2.5A)
FMN  A 201 (-4.1A)
FMN  A 201 (-3.3A)
FMN  A 201 (-2.8A)
 1.45A 3r75A-5ljiA:
undetectable		 3r75A-5ljiA:
13.37
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.
5lji FLAVODOXIN

(Streptococcus
pneumoniae) 		PF00258
(Flavodoxin_1) 		5 GLU A  67
SER A  10
THR A  12
SER A  90
THR A  15
 None
FMN  A 201 (-2.5A)
FMN  A 201 (-3.3A)
FMN  A 201 (-2.8A)
FMN  A 201 (-3.6A)
 1.48A 3r75A-5ljiA:
undetectable		 3r75A-5ljiA:
13.37
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.
5m9f ORF68

(Staphylococcus
virus K) 		no annotation 5 SER A 409
GLY A 410
THR A 380
GLU A 378
THR A 377
 None
 1.45A 3r75A-5m9fA:
undetectable		 3r75A-5m9fA:
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.
5mjv CAPSID SUBUNIT VP3
CAPSID SUBUNIT VP0

(Parechovirus A;
Parechovirus A) 		no annotation
PF00073
(Rhv) 		5 ILE C 253
SER C 257
GLY C 256
THR C 255
SER B 222
 None
 1.43A 3r75A-5mjvC:
undetectable		 3r75A-5mjvC:
16.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oyn DEHYDRATASE,
ILVD/EDD FAMILY

(Caulobacter
vibrioides) 		no annotation 5 SER A 277
GLY A 491
THR A 492
SER A 208
THR A 209
 None
 1.49A 3r75A-5oynA:
undetectable		 3r75A-5oynA:
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.
5udb DNA REPLICATION
LICENSING FACTOR
MCM2
CELL DIVISION CYCLE
PROTEIN CDT1

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF00493
(MCM)
PF14551
(MCM_N)
PF17207
(MCM_OB)
PF16679
(CDT1_C) 		5 GLU 2 251
GLY 2 223
THR 2 222
SER 8 210
THR 8 211
 None
 1.36A 3r75A-5udb2:
undetectable		 3r75A-5udb2:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.12A 3r75A-5wblA:
3.1		 3r75A-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.
5ygr DIAMINOPROPIONATE
AMMONIA LYASE

(Salmonella
enterica) 		no annotation 5 ILE A 344
GLY A 346
GLU A 386
SER A 390
THR A 389
 None
None
LLP  A  78 ( 3.5A)
None
None
 1.16A 3r75A-5ygrA:
3.2		 3r75A-5ygrA:
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.
6bnp UNCONVENTIONAL
MYOSIN-VI

(Sus scrofa) 		no annotation 5 ILE I 147
SER I 146
GLY I 453
SER I 144
THR I 661
 None
 1.35A 3r75A-6bnpI:
undetectable		 3r75A-6bnpI:
undetectable