SIMILAR PATTERNS OF AMINO ACIDS FOR 3K13_C_THHC643_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.
1am5 PEPSIN

(Gadus morhua) 		PF00026
(Asp) 		5 GLU A 107
GLY A 119
GLY A  82
SER A 104
PHE A  56
 None
 1.25A 3k13C-1am5A:
undetectable		 3k13C-1am5A:
24.80
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.
1czi CHYMOSIN

(Bos taurus) 		PF00026
(Asp) 		5 GLU E 107
GLY E 119
GLY E  82
SER E 104
PHE E  56
 None
 1.19A 3k13C-1cziE:
undetectable		 3k13C-1cziE:
21.72
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.
1ewk METABOTROPIC
GLUTAMATE RECEPTOR
SUBTYPE 1

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		5 GLU A 292
GLY A 293
ASP A 318
VAL A 205
GLY A 163
 None
None
GLU  A 701 (-3.0A)
None
None
 1.15A 3k13C-1ewkA:
undetectable		 3k13C-1ewkA:
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.
1f6y 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE

(Moorella
thermoacetica) 		PF00809
(Pterin_bind) 		7 GLU A   6
ASN A   9
ASP A  75
GLY A 196
SER A 198
ARG A 207
ILE A 227
 None
 0.43A 3k13C-1f6yA:
28.9		 3k13C-1f6yA:
26.88
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.
1gq1 CYTOCHROME CD1
NITRITE REDUCTASE

(Paracoccus
pantotrophus) 		PF02239
(Cytochrom_D1)
PF13442
(Cytochrome_CBB3) 		5 GLU A 516
GLY A 514
VAL A 171
GLY A 184
ASN A 167
 None
 1.01A 3k13C-1gq1A:
undetectable		 3k13C-1gq1A:
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.
1htp H-PROTEIN

(Pisum sativum) 		PF01597
(GCV_H) 		5 GLU A  14
GLY A  55
VAL A  38
SER A  12
ILE A  27
 OSS  A 132 (-3.5A)
None
None
None
OSS  A 132 ( 4.2A)
 1.25A 3k13C-1htpA:
undetectable		 3k13C-1htpA:
17.11
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.
1id0 PHOQ HISTIDINE
KINASE

(Escherichia
coli) 		PF02518
(HATPase_c) 		5 ASN A 385
GLY A 445
ARG A 431
ASP A 388
VAL A 354
 MG  A 700 ( 2.7A)
ANP  A 487 (-3.4A)
None
None
None
 1.26A 3k13C-1id0A:
undetectable		 3k13C-1id0A:
22.07
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.
1pie GALACTOKINASE

(Lactococcus
lactis) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg) 		5 ASN A  38
GLY A  41
ARG A 289
VAL A 164
GLY A 180
 None
None
None
None
GLA  A 400 (-3.9A)
 1.28A 3k13C-1pieA:
undetectable		 3k13C-1pieA:
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.
1v19 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Thermus
thermophilus) 		PF00294
(PfkB) 		5 GLU A 289
GLY A 290
ASP A 245
GLY A  33
ASN A  38
 None
 1.24A 3k13C-1v19A:
undetectable		 3k13C-1v19A:
24.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w61 B-CELL MITOGEN

(Trypanosoma
cruzi) 		PF05544
(Pro_racemase) 		5 ARG A  88
ASN A 218
PHE A 290
ARG A 248
ILE A 265
 None
None
PYC  A 700 (-3.7A)
None
None
 1.21A 3k13C-1w61A:
undetectable		 3k13C-1w61A:
22.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wr8 PHOSPHOGLYCOLATE
PHOSPHATASE

(Pyrococcus
horikoshii) 		PF08282
(Hydrolase_3) 		5 GLU A  33
GLY A  36
VAL A 175
SER A  60
ILE A  39
 None
 1.27A 3k13C-1wr8A:
undetectable		 3k13C-1wr8A:
21.50
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.
1xco PHOSPHATE
ACETYLTRANSFERASE

(Bacillus
subtilis) 		PF01515
(PTA_PTB) 		5 GLU A  52
ASN A  51
VAL A  67
GLY A  48
ILE A  53
 None
 1.14A 3k13C-1xcoA:
undetectable		 3k13C-1xcoA:
27.05
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.
1zc6 PROBABLE
N-ACETYLGLUCOSAMINE
KINASE

(Chromobacterium
violaceum) 		PF01869
(BcrAD_BadFG) 		5 GLY A 130
ASP A 110
VAL A  86
GLY A 149
ILE A 134
 None
 1.18A 3k13C-1zc6A:
undetectable		 3k13C-1zc6A:
16.92
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.
2bi7 UDP-GALACTOPYRANOSE
MUTASE

(Klebsiella
pneumoniae) 		PF03275
(GLF)
PF13450
(NAD_binding_8) 		5 GLY A 197
VAL A 213
GLY A  39
SER A  42
ILE A 202
 None
None
None
FAD  A1385 ( 3.8A)
None
 1.13A 3k13C-2bi7A:
undetectable		 3k13C-2bi7A:
23.73
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.
2bws XAA-PRO
AMINOPEPTIDASE P

(Escherichia
coli) 		PF00557
(Peptidase_M24)
PF05195
(AMP_N) 		5 GLY A 357
ARG A 173
ASP A 408
GLY A 262
ARG A  44
 None
 1.23A 3k13C-2bwsA:
undetectable		 3k13C-2bwsA:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ddx BETA-1,3-XYLANASE

(Vibrio sp. AX-4) 		no annotation 5 GLU A 116
GLY A 119
VAL A 176
GLY A 180
SER A 182
 None
 1.17A 3k13C-2ddxA:
5.5		 3k13C-2ddxA:
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.
2dvm 439AA LONG
HYPOTHETICAL MALATE
OXIDOREDUCTASE

(Pyrococcus
horikoshii) 		PF00390
(malic)
PF03949
(Malic_M) 		5 ASN A 133
ASP A 160
VAL A 168
GLY A 334
ILE A 335
 None
 1.21A 3k13C-2dvmA:
undetectable		 3k13C-2dvmA:
24.00
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.
2e3x COAGULATION FACTOR
X-ACTIVATING ENZYME
LIGHT CHAIN 2
COAGULATION FACTOR
X-ACTIVATING ENZYME
LIGHT CHAIN 1

(Daboia
siamensis;
Daboia
siamensis) 		PF00059
(Lectin_C)
PF00059
(Lectin_C) 		5 GLU B  27
GLY B  37
GLY B  69
SER C  82
ARG C  84
 None
 1.15A 3k13C-2e3xB:
undetectable		 3k13C-2e3xB:
16.55
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.
2hae MALATE
OXIDOREDUCTASE

(Thermotoga
maritima) 		PF00390
(malic)
PF03949
(Malic_M) 		5 ASN A 127
ASP A 154
VAL A 162
GLY A 320
ILE A 321
 None
 1.20A 3k13C-2haeA:
undetectable		 3k13C-2haeA:
25.55
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.
2jgr YEGS

(Escherichia
coli) 		PF00781
(DAGK_cat) 		5 ASN A 137
ASP A  98
GLY A 270
ASN A 267
PHE A 266
 None
 1.21A 3k13C-2jgrA:
undetectable		 3k13C-2jgrA:
19.88
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.
2o2c GLUCOSE-6-PHOSPHATE
ISOMERASE,
GLYCOSOMAL

(Trypanosoma
brucei) 		PF00342
(PGI) 		5 ASN A 413
GLY A 554
ARG A 419
ASP A 409
GLY A 377
 None
 1.15A 3k13C-2o2cA:
undetectable		 3k13C-2o2cA:
19.74
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.
2p1r LIPID KINASE YEGS

(Salmonella
enterica) 		PF00781
(DAGK_cat) 		5 ASN A 137
ASP A  98
GLY A 270
ASN A 267
PHE A 266
 None
 1.25A 3k13C-2p1rA:
undetectable		 3k13C-2p1rA:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q27 OXALYL-COA
DECARBOXYLASE

(Escherichia
coli) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 GLY A 395
GLY A 476
ASN A 474
PHE A 472
ILE A 477
 TPP  A3001 (-3.2A)
MG  A1001 ( 4.1A)
MG  A1001 ( 2.7A)
None
TPP  A3001 (-4.4A)
 1.13A 3k13C-2q27A:
undetectable		 3k13C-2q27A:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qzp ACYLAMINO-ACID-RELEA
SING ENZYME

(Aeropyrum
pernix) 		PF00326
(Peptidase_S9) 		5 GLU A 490
ARG A 149
VAL A 471
PHE A 170
ILE A 489
 None
 1.22A 3k13C-2qzpA:
undetectable		 3k13C-2qzpA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w55 XANTHINE
DEHYDROGENASE

(Rhodobacter
capsulatus) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 GLY B 349
ASP B 316
VAL B 409
GLY B 456
PHE B 733
 None
 1.15A 3k13C-2w55B:
undetectable		 3k13C-2w55B:
17.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w87 ESTERASE D

(Cellvibrio
japonicus) 		PF03422
(CBM_6) 		5 GLU A 126
ASN A  43
GLY A 127
GLY A  71
ASN A  69
 None
GCU  A1150 ( 2.9A)
None
None
None
 1.20A 3k13C-2w87A:
undetectable		 3k13C-2w87A:
18.67
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.
2wed PENICILLOPEPSIN

(Penicillium
janthinellum) 		PF00026
(Asp) 		5 ASN A 118
GLY A 120
ASP A 115
GLY A  53
SER A  55
 None
 1.27A 3k13C-2wedA:
undetectable		 3k13C-2wedA:
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.
2xnh DNA TOPOISOMERASE
2-BINDING PROTEIN 1

(Homo sapiens) 		PF00533
(BRCT)
PF12738
(PTCB-BRCT) 		5 ASN A  53
GLY A  75
ASP A  54
PHE A  68
ILE A  50
 None
 1.27A 3k13C-2xnhA:
undetectable		 3k13C-2xnhA:
18.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE

(Carboxydothermus
hydrogenoformans) 		PF00809
(Pterin_bind) 		8 GLU A   7
ASN A  10
ASP A  76
GLY A 197
SER A 199
ASN A 200
ARG A 208
ILE A 228
 C2F  A3000 ( 4.1A)
C2F  A3000 ( 4.8A)
C2F  A3000 (-3.4A)
C2F  A3000 (-3.6A)
GOL  A1270 ( 3.9A)
C2F  A3000 (-3.1A)
C2F  A3000 ( 2.6A)
C2F  A3000 (-4.6A)
 0.42A 3k13C-2ycjA:
29.4		 3k13C-2ycjA:
29.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a18 ALDOXIME DEHYDRATASE

(Rhodococcus
erythropolis) 		PF13816
(Dehydratase_hem) 		5 GLY A 281
SER A 260
ASN A 261
ARG A 345
ILE A 280
 None
 1.27A 3k13C-3a18A:
undetectable		 3k13C-3a18A:
22.72
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.
3bol 5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE

(Thermotoga
maritima) 		PF00809
(Pterin_bind)
PF02574
(S-methyl_trans) 		6 GLU A 320
ASN A 323
ASP A 390
GLY A 505
SER A 507
ILE A 536
 None
 0.24A 3k13C-3bolA:
22.5		 3k13C-3bolA:
20.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cj1 ECTONUCLEOSIDE
TRIPHOSPHATE
DIPHOSPHOHYDROLASE 2

(Rattus
norvegicus) 		PF01150
(GDA1_CD39) 		5 GLU A 165
GLY A 166
GLY A 203
SER A 206
PHE A 240
 None
 1.01A 3k13C-3cj1A:
undetectable		 3k13C-3cj1A:
22.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cr3 PTS-DEPENDENT
DIHYDROXYACETONE
KINASE, ADP-BINDING
SUBUNIT DHAL
PTS-DEPENDENT
DIHYDROXYACETONE
KINASE,
PHOSPHOTRANSFERASE
SUBUNIT DHAM

(Lactococcus
lactis;
Lactococcus
lactis) 		PF02734
(Dak2)
PF03610
(EIIA-man) 		5 ASP A  34
GLY C  43
SER C   9
PHE C  65
ILE C  42
 MG  A1213 (-2.7A)
None
None
None
None
 1.04A 3k13C-3cr3A:
undetectable		 3k13C-3cr3A:
21.59
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.
3d7l LIN1944 PROTEIN

(Listeria
innocua) 		PF13561
(adh_short_C2) 		5 GLY A 122
VAL A 174
GLY A 112
ASN A 129
ILE A 113
 None
 1.25A 3k13C-3d7lA:
undetectable		 3k13C-3d7lA:
24.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e9m OXIDOREDUCTASE,
GFO/IDH/MOCA FAMILY

(Enterococcus
faecalis) 		PF01408
(GFO_IDH_MocA) 		5 GLU A 168
GLY A 205
VAL A 310
GLY A 171
SER A 166
 None
 1.13A 3k13C-3e9mA:
undetectable		 3k13C-3e9mA:
23.19
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.
3fg2 PUTATIVE RUBREDOXIN
REDUCTASE

(Rhodopseudomonas
palustris) 		PF07992
(Pyr_redox_2)
PF14759
(Reductase_C) 		5 GLY P   8
VAL P 259
GLY P 274
ARG P  42
ILE P 273
 FAD  P 449 (-3.3A)
None
FAD  P 449 (-3.5A)
FAD  P 449 (-3.7A)
None
 1.16A 3k13C-3fg2P:
undetectable		 3k13C-3fg2P:
22.67
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.
3hmj FATTY ACID SYNTHASE
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00109
(ketoacyl-synt)
PF01648
(ACPS)
PF02801
(Ketoacyl-synt_C) 		5 GLU A1052
GLY A1049
GLY A1031
SER A1032
ILE A1056
 None
 1.15A 3k13C-3hmjA:
undetectable		 3k13C-3hmjA:
10.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jb9 PRE-MRNA-SPLICING
FACTOR CWF19

(Schizosaccharomyces
pombe) 		no annotation 5 GLU c 582
GLY c 586
ASP c 530
GLY c 563
SER c 496
 None
 1.21A 3k13C-3jb9c:
undetectable		 3k13C-3jb9c:
19.27
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.
3jb9 PRE-MRNA-SPLICING
FACTOR SPP42

(Schizosaccharomyces
pombe) 		PF08082
(PRO8NT)
PF08083
(PROCN)
PF10596
(U6-snRNA_bdg)
PF10597
(U5_2-snRNA_bdg)
PF10598
(RRM_4)
PF12134
(PRP8_domainIV) 		5 GLU A1701
ASN A1670
GLY A1373
PHE A1377
ILE A1700
 None
 1.21A 3k13C-3jb9A:
undetectable		 3k13C-3jb9A:
8.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3k13 5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE

(Bacteroides
thetaiotaomicron) 		PF00809
(Pterin_bind) 		9 ASN A 361
GLY A 364
ARG A 366
ASP A 396
VAL A 478
GLY A 558
ASN A 561
PHE A 564
ARG A 573
 GOL  A 643 (-3.1A)
THH  A 642 (-3.7A)
THH  A 642 (-3.2A)
THH  A 642 ( 4.7A)
None
THH  A 642 (-3.3A)
THH  A 642 ( 3.3A)
None
THH  A 642 (-3.1A)
 1.24A 3k13C-3k13A:
50.1		 3k13C-3k13A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3k13 5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE

(Bacteroides
thetaiotaomicron) 		PF00809
(Pterin_bind) 		5 ASN A 361
GLY A 364
ARG A 366
ASP A 431
GLY A 357
 GOL  A 643 (-3.1A)
THH  A 642 (-3.7A)
THH  A 642 (-3.2A)
THH  A 642 (-3.3A)
None
 1.24A 3k13C-3k13A:
50.1		 3k13C-3k13A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3k13 5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE

(Bacteroides
thetaiotaomicron) 		PF00809
(Pterin_bind) 		5 ASN A 398
VAL A 478
GLY A 558
PHE A 564
ILE A 593
 None
None
THH  A 642 (-3.3A)
None
THH  A 642 (-4.2A)
 1.19A 3k13C-3k13A:
50.1		 3k13C-3k13A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3k13 5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE

(Bacteroides
thetaiotaomicron) 		PF00809
(Pterin_bind) 		12 GLU A 358
ASN A 361
GLY A 364
ARG A 366
ASP A 431
VAL A 478
GLY A 558
SER A 560
ASN A 561
PHE A 564
ARG A 573
ILE A 593
 THH  A 642 ( 3.5A)
GOL  A 643 (-3.1A)
THH  A 642 (-3.7A)
THH  A 642 (-3.2A)
THH  A 642 (-3.3A)
None
THH  A 642 (-3.3A)
K  A 644 ( 3.4A)
THH  A 642 ( 3.3A)
None
THH  A 642 (-3.1A)
THH  A 642 (-4.2A)
 0.18A 3k13C-3k13A:
50.1		 3k13C-3k13A:
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.
3k6j PROTEIN F01G10.3,
CONFIRMED BY
TRANSCRIPT EVIDENCE

(Caenorhabditis
elegans) 		PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 GLU A 121
GLY A 148
GLY A  46
PHE A 174
ILE A  45
 None
 1.29A 3k13C-3k6jA:
2.4		 3k13C-3k6jA:
23.21
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.
3ljp CHOLINE OXIDASE

(Arthrobacter
globiformis) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 GLY A 469
ARG A 385
ASP A 499
VAL A  28
ILE A 518
 None
None
FDA  A 547 (-4.6A)
None
None
 1.23A 3k13C-3ljpA:
undetectable		 3k13C-3ljpA:
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.
3lk7 UDP-N-ACETYLMURAMOYL
ALANINE--D-GLUTAMATE
LIGASE

(Streptococcus
agalactiae) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 GLU A 167
VAL A 289
PHE A 149
ARG A  19
ILE A 117
 SO4  A 452 ( 4.6A)
None
None
CL  A 454 (-4.4A)
None
 1.15A 3k13C-3lk7A:
undetectable		 3k13C-3lk7A:
21.88
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.
3lmk METABOTROPIC
GLUTAMATE RECEPTOR 5

(Homo sapiens) 		PF01094
(ANF_receptor) 		5 GLU A 279
GLY A 280
ASP A 305
VAL A 192
GLY A 150
 None
None
GLU  A 506 (-2.7A)
None
None
 1.14A 3k13C-3lmkA:
undetectable		 3k13C-3lmkA:
20.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lxd FAD-DEPENDENT
PYRIDINE
NUCLEOTIDE-DISULPHID
E OXIDOREDUCTASE

(Novosphingobium
aromaticivorans) 		PF07992
(Pyr_redox_2)
PF14759
(Reductase_C) 		5 GLY A  16
VAL A 269
GLY A 284
ARG A  50
ILE A 283
 FAD  A 416 (-3.3A)
None
FAD  A 416 (-3.2A)
FAD  A 416 (-3.0A)
None
 1.07A 3k13C-3lxdA:
undetectable		 3k13C-3lxdA:
24.19
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.
3ml4 PROTEIN DOK-7

(Mus musculus) 		PF02174
(IRS) 		5 ASN A 135
GLY A 109
ASP A 136
GLY A 202
SER A 204
 None
 1.23A 3k13C-3ml4A:
undetectable		 3k13C-3ml4A:
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.
3nv9 MALIC ENZYME

(Entamoeba
histolytica) 		PF00390
(malic)
PF03949
(Malic_M) 		5 ASN A 166
ASP A 193
VAL A 201
GLY A 365
ILE A 366
 None
 1.16A 3k13C-3nv9A:
undetectable		 3k13C-3nv9A:
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.
3nwr A RUBISCO-LIKE
PROTEIN

(Paraburkholderia
fungorum) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 GLY A 394
VAL A 158
GLY A 165
SER A 380
ILE A 164
 None
 1.20A 3k13C-3nwrA:
6.6		 3k13C-3nwrA:
21.82
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.
3oix PUTATIVE
DIHYDROOROTATE
DEHYDROGENASE
DIHYDROOROTATE
OXIDASE

(Streptococcus
mutans) 		PF01180
(DHO_dh) 		5 GLY A 103
VAL A  85
GLY A  77
ASN A  75
ILE A  78
 None
 1.24A 3k13C-3oixA:
7.4		 3k13C-3oixA:
21.92
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.
3p19 PUTATIVE BLUE
FLUORESCENT PROTEIN

(Vibrio
vulnificus) 		PF00106
(adh_short) 		5 VAL A 215
GLY A  15
SER A  12
ARG A  38
ILE A  14
 None
None
NDP  A2001 ( 2.7A)
None
NDP  A2001 ( 4.0A)
 1.20A 3k13C-3p19A:
2.4		 3k13C-3p19A:
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.
3qlb ENANTIO-PYOCHELIN
RECEPTOR

(Pseudomonas
fluorescens) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 ASN A 151
GLY A 110
VAL A  81
GLY A 148
ASN A 144
 None
 1.29A 3k13C-3qlbA:
undetectable		 3k13C-3qlbA:
18.73
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.
3qxi ENOYL-COA HYDRATASE
ECHA1

(Mycobacterium
marinum) 		PF00378
(ECH_1) 		5 GLU A 134
GLY A 145
VAL A  82
GLY A  70
PHE A 130
 None
 1.18A 3k13C-3qxiA:
2.1		 3k13C-3qxiA:
22.43
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.
3r0o CARNITINYL-COA
DEHYDRATASE

(Mycobacterium
avium) 		PF00378
(ECH_1) 		5 GLY A 118
GLY A  63
SER A  68
ASN A 111
ILE A  26
 None
 1.21A 3k13C-3r0oA:
undetectable		 3k13C-3r0oA:
23.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3riq TAILSPIKE PROTEIN

(Salmonella
virus 9NA) 		PF09251
(PhageP22-tail) 		5 ASN A 413
VAL A 467
GLY A 409
SER A 376
ILE A 410
 None
 1.23A 3k13C-3riqA:
undetectable		 3k13C-3riqA:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sgh SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF12741
(SusD-like) 		5 GLY A 310
GLY A  70
SER A  67
ASN A 274
ILE A 459
 None
 1.29A 3k13C-3sghA:
undetectable		 3k13C-3sghA:
23.55
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.
3ss7 D-SERINE DEHYDRATASE

(Escherichia
coli) 		PF00291
(PALP) 		5 GLU X 125
GLY X 121
SER X 241
PHE X 245
ILE X 236
 None
 1.24A 3k13C-3ss7X:
undetectable		 3k13C-3ss7X:
20.40
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.
3vbe BETA-CYANOALNINE
SYNTHASE

(Glycine max) 		PF00291
(PALP) 		5 GLY A 228
VAL A 222
GLY A 239
SER A 236
ILE A 251
 None
 1.28A 3k13C-3vbeA:
undetectable		 3k13C-3vbeA:
22.79
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.
3vnk XYLOSE ISOMERASE
DOMAIN PROTEIN TIM
BARREL

([Clostridium]
cellulolyticum) 		PF01261
(AP_endonuc_2) 		5 GLU A 227
GLY A 196
VAL A 241
GLY A 229
ILE A 228
 None
 1.12A 3k13C-3vnkA:
9.2		 3k13C-3vnkA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w08 ALDOXIME DEHYDRATASE

(Pseudomonas
chlororaphis) 		PF13816
(Dehydratase_hem) 		5 GLY A 281
SER A 260
ASN A 261
ARG A 345
ILE A 280
 None
 1.28A 3k13C-3w08A:
undetectable		 3k13C-3w08A:
20.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zx2 ECTONUCLEOSIDE
TRIPHOSPHATE
DIPHOSPHOHYDROLASE 1

(Rattus
norvegicus) 		PF01150
(GDA1_CD39) 		5 GLU A 174
GLY A 175
GLY A 214
SER A 217
PHE A 252
 None
None
CL  A 501 (-3.6A)
CL  A 501 (-4.2A)
None
 1.06A 3k13C-3zx2A:
undetectable		 3k13C-3zx2A:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a5a NUCLEOSIDE-TRIPHOSPH
ATASE 1

(Toxoplasma
gondii) 		PF01150
(GDA1_CD39) 		5 GLU A 236
GLY A 237
GLY A 279
SER A 282
PHE A 324
 ANP  A 700 ( 4.0A)
None
ANP  A 700 (-3.7A)
ANP  A 700 (-3.6A)
None
 1.08A 3k13C-4a5aA:
undetectable		 3k13C-4a5aA:
21.06
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.
4beq ALANINE RACEMASE 2

(Vibrio cholerae) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 GLU A 186
GLY A 183
VAL A 198
GLY A 141
ILE A 190
 None
 1.09A 3k13C-4beqA:
8.3		 3k13C-4beqA:
23.47
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.
4by9 FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Pyrococcus
furiosus) 		PF01269
(Fibrillarin) 		5 GLY E  85
VAL E 144
SER E  92
ARG E  49
ILE E 101
 C  X   6 ( 3.4A)
None
None
None
None
 1.23A 3k13C-4by9E:
undetectable		 3k13C-4by9E:
24.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c23 L-FUCULOSE KINASE
FUCK

(Streptococcus
pneumoniae) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 GLY A 400
ASP A   8
GLY A 431
SER A 240
PHE A 249
 None
 1.22A 3k13C-4c23A:
undetectable		 3k13C-4c23A:
22.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ccz METHIONINE SYNTHASE

(Homo sapiens) 		PF00809
(Pterin_bind)
PF02574
(S-methyl_trans) 		10 GLU A 376
ASN A 379
GLY A 382
ASP A 449
VAL A 496
GLY A 576
SER A 578
ASN A 579
ARG A 591
ILE A 611
 THG  A1652 (-3.5A)
THG  A1652 (-4.6A)
THG  A1652 (-3.8A)
THG  A1652 (-3.4A)
None
THG  A1652 (-3.6A)
THG  A1652 (-4.2A)
THG  A1652 (-3.1A)
THG  A1652 (-3.0A)
THG  A1652 (-4.2A)
 0.27A 3k13C-4cczA:
43.2		 3k13C-4cczA:
30.34
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.
4dkj CYTOSINE-SPECIFIC
METHYLTRANSFERASE

(Mycoplasma
penetrans) 		PF00145
(DNA_methylase) 		5 ASN A 352
ASP A 350
VAL A 378
SER A  59
ILE A  57
 None
 1.15A 3k13C-4dkjA:
undetectable		 3k13C-4dkjA:
20.91
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.
4fc7 PEROXISOMAL
2,4-DIENOYL-COA
REDUCTASE

(Homo sapiens) 		PF13561
(adh_short_C2) 		5 GLY A 213
VAL A 249
GLY A  41
SER A  38
ILE A  40
 None
None
None
NAP  A 401 (-2.7A)
NAP  A 401 (-4.0A)
 1.19A 3k13C-4fc7A:
2.0		 3k13C-4fc7A:
23.01
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.
4myn FORMIMINOGLUTAMASE

(Trypanosoma
cruzi) 		PF00491
(Arginase) 		5 GLU A 273
GLY A 112
ASP A 270
VAL A 134
SER A 154
 None
 1.01A 3k13C-4mynA:
undetectable		 3k13C-4mynA:
24.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o1e DIHYDROPTEROATE
SYNTHASE DHPS

(Desulfitobacterium
hafniense) 		PF00809
(Pterin_bind) 		6 ASN A  10
ASP A  76
GLY A 196
SER A 198
ARG A 207
ILE A 227
 C2F  A3000 ( 4.5A)
C2F  A3000 (-3.6A)
C2F  A3000 (-3.5A)
C2F  A3000 ( 3.8A)
None
C2F  A3000 (-4.3A)
 1.21A 3k13C-4o1eA:
27.7		 3k13C-4o1eA:
29.84
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.
4o1e DIHYDROPTEROATE
SYNTHASE DHPS

(Desulfitobacterium
hafniense) 		PF00809
(Pterin_bind) 		5 GLU A   7
ASN A  10
ASP A  76
GLY A 196
ILE A 227
 C2F  A3000 (-3.6A)
C2F  A3000 ( 4.5A)
C2F  A3000 (-3.6A)
C2F  A3000 (-3.5A)
C2F  A3000 (-4.3A)
 0.64A 3k13C-4o1eA:
27.7		 3k13C-4o1eA:
29.84
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.
4o48 UNCHARACTERIZED
PROTEIN

(Cavia porcellus) 		PF01112
(Asparaginase_2) 		5 GLY A  11
GLY A 188
ASN A  62
PHE A  61
ILE A 189
 None
ASP  A 402 (-3.6A)
None
None
ASP  A 402 (-4.5A)
 1.29A 3k13C-4o48A:
undetectable		 3k13C-4o48A:
22.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pv4 PROLINE
AMINOPEPTIDASE P II

(Yersinia pestis) 		PF00557
(Peptidase_M24)
PF05195
(AMP_N) 		5 GLY A 355
ARG A 171
ASP A 407
GLY A 260
ARG A  42
 None
 1.26A 3k13C-4pv4A:
undetectable		 3k13C-4pv4A:
21.49
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.
4r1d UNCHARACTERIZED
PROTEIN
UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa;
Pseudomonas
aeruginosa) 		no annotation
no annotation 		5 GLU A 104
GLY B  64
ASP A 388
GLY B 217
SER B 215
 None
 1.26A 3k13C-4r1dA:
undetectable		 3k13C-4r1dA:
20.32
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.
4xee NEUROTENSIN RECEPTOR
TYPE 1, ENDOLYSIN
CHIMERA

(Rattus
norvegicus;
Escherichia
virus T4) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 ASN A  82
GLY A  81
ASP A 113
ASN A 370
PHE A 376
 None
 1.26A 3k13C-4xeeA:
undetectable		 3k13C-4xeeA:
19.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xiv CHEMOTAXIS PROTEIN
CHEA

(Thermotoga
maritima) 		PF02518
(HATPase_c)
PF02895
(H-kinase_dim) 		5 GLU A 416
GLY A 453
VAL A 369
GLY A 430
ILE A 415
 None
ACP  A 601 (-4.7A)
None
None
None
 1.22A 3k13C-4xivA:
undetectable		 3k13C-4xivA:
24.05
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.
4xiv CHEMOTAXIS PROTEIN
CHEA

(Thermotoga
maritima) 		PF02518
(HATPase_c)
PF02895
(H-kinase_dim) 		5 GLU A 416
GLY A 530
VAL A 369
GLY A 430
ILE A 415
 None
 1.18A 3k13C-4xivA:
undetectable		 3k13C-4xivA:
24.05
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.
4yh2 GLUTATHIONE S
TRANSFERASE E6

(Drosophila
melanogaster) 		PF13417
(GST_N_3)
PF14497
(GST_C_3) 		5 GLU A 193
ASN A 202
GLY A 203
VAL A 142
ILE A 189
 None
 0.99A 3k13C-4yh2A:
undetectable		 3k13C-4yh2A:
24.21
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.
4zzq CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Dictyostelium
discoideum) 		PF00840
(Glyco_hydro_7) 		5 GLY A 206
ASP A 172
VAL A 369
GLY A 169
SER A 183
 None
 1.10A 3k13C-4zzqA:
undetectable		 3k13C-4zzqA:
19.57
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.
5fjn L-AMINO ACID
DEAMINASE

(Cosenzaea
myxofaciens) 		PF01266
(DAO) 		5 GLY A 448
VAL A 202
GLY A 440
PHE A 467
ILE A  65
 None
None
FAD  A 500 (-3.2A)
None
FAD  A 500 (-4.8A)
 1.14A 3k13C-5fjnA:
undetectable		 3k13C-5fjnA:
22.22
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.
5fp1 TONB-DEPENDENT
SIDEROPHORE RECEPTOR

(Acinetobacter
baumannii) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 GLY A  74
ASP A 303
GLY A 375
SER A 373
ARG A 406
 None
PO4  A1716 (-2.8A)
None
None
None
 1.26A 3k13C-5fp1A:
undetectable		 3k13C-5fp1A:
17.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g06 EXOSOME COMPLEX
COMPONENT SKI6

(Saccharomyces
cerevisiae) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		5 ASP B 173
GLY B 160
SER B 159
ASN B 141
ILE B 161
 None
 1.14A 3k13C-5g06B:
undetectable		 3k13C-5g06B:
25.31
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.
5jmv PROBABLE
BIFUNCTIONAL TRNA
THREONYLCARBAMOYLADE
NOSINE BIOSYNTHESIS
PROTEIN

(Methanocaldococcus
jannaschii) 		PF00814
(Peptidase_M22) 		5 GLY A   5
VAL A 250
ASN A  27
PHE A  26
ILE A 113
 None
 1.27A 3k13C-5jmvA:
undetectable		 3k13C-5jmvA:
23.90
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.
5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT

(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		PF02538
(Hydantoinase_B)
PF01968
(Hydantoinase_A)
PF05378
(Hydant_A_N) 		6 GLY B 572
VAL B 529
GLY A 408
SER A 410
ASN A 405
PHE A 456
 None
None
None
EPE  A 704 (-3.7A)
None
None
 1.33A 3k13C-5l9wB:
undetectable		 3k13C-5l9wB:
18.23
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.
5moy BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		5 ASN A1245
GLY A1244
GLY A1248
ASN A1238
ILE A1247
 None
 1.17A 3k13C-5moyA:
undetectable		 3k13C-5moyA:
20.50
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.
5o5d GLUCANASE

(Trichoderma
atroviride) 		no annotation 5 GLY A 207
ASP A 173
VAL A 363
GLY A 170
SER A 184
 None
BTB  A 604 (-3.7A)
None
None
None
 1.07A 3k13C-5o5dA:
undetectable		 3k13C-5o5dA:
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.
5tii 3-OXOACYL-ACP
REDUCTASE

(uncultured
bacterium) 		PF13561
(adh_short_C2) 		5 GLY A 188
GLY A 150
SER A 147
ARG A 165
ILE A 151
 None
 1.08A 3k13C-5tiiA:
3.0		 3k13C-5tiiA:
23.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v1s RADICAL SAM

(Streptococcus
suis) 		PF04055
(Radical_SAM)
PF13394
(Fer4_14) 		5 VAL A 386
GLY A 360
SER A 358
ASN A 359
ILE A 356
 None
 1.14A 3k13C-5v1sA:
6.9		 3k13C-5v1sA:
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.
5vi6 HISTONE DEACETYLASE
8

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 GLY A 218
ASP A 187
GLY A 212
SER A 215
ASN A 228
 None
 1.26A 3k13C-5vi6A:
undetectable		 3k13C-5vi6A:
21.96
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.
5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE

(Thermus
thermophilus) 		no annotation 8 ASN A 376
ASP A 443
VAL A 490
GLY A 570
SER A 572
ASN A 573
PHE A 576
ILE A 603
 NA  A3005 (-3.0A)
C2F  A3001 (-2.5A)
C2F  A3001 ( 4.7A)
C2F  A3001 (-3.5A)
C2F  A3001 ( 4.5A)
C2F  A3001 (-2.6A)
C2F  A3001 (-4.7A)
C2F  A3001 (-3.5A)
 0.72A 3k13C-5vopA:
39.4		 3k13C-5vopA:
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.
5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE

(Thermus
thermophilus) 		no annotation 6 ASN A 376
GLY A 379
ASP A 411
VAL A 490
GLY A 570
ASN A 573
 NA  A3005 (-3.0A)
C2F  A3001 (-3.3A)
C2F  A3001 ( 3.8A)
C2F  A3001 ( 4.7A)
C2F  A3001 (-3.5A)
C2F  A3001 (-2.6A)
 1.45A 3k13C-5vopA:
39.4		 3k13C-5vopA:
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.
5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE

(Thermus
thermophilus) 		no annotation 10 GLU A 373
ASN A 376
GLY A 379
ASP A 443
VAL A 490
GLY A 570
SER A 572
ASN A 573
ARG A 583
ILE A 603
 C2F  A3001 (-3.7A)
NA  A3005 (-3.0A)
C2F  A3001 (-3.3A)
C2F  A3001 (-2.5A)
C2F  A3001 ( 4.7A)
C2F  A3001 (-3.5A)
C2F  A3001 ( 4.5A)
C2F  A3001 (-2.6A)
C2F  A3001 (-3.0A)
C2F  A3001 (-3.5A)
 0.36A 3k13C-5vopA:
39.4		 3k13C-5vopA:
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.
5vpr CYSTEINE DESULFURASE

(Elizabethkingia
anophelis) 		PF00266
(Aminotran_5) 		5 GLY A  92
VAL A  38
GLY A 281
ASN A 278
ILE A 285
 LLP  A 225 ( 3.8A)
None
None
None
None
 1.28A 3k13C-5vprA:
undetectable		 3k13C-5vprA:
24.07
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.
5w3j TUBULIN BETA CHAIN

(Saccharomyces
cerevisiae) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		5 GLU B 108
GLY B  98
VAL B 116
GLY B  93
SER B  95
 None
GDP  B 501 (-4.4A)
None
None
None
 1.05A 3k13C-5w3jB:
2.4		 3k13C-5w3jB:
22.37
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.
5wze AMINOPEPTIDASE P

(Pseudomonas
aeruginosa) 		no annotation 5 GLY A 357
ARG A 173
ASP A 410
GLY A 262
ARG A  45
 None
 1.25A 3k13C-5wzeA:
undetectable		 3k13C-5wzeA:
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.
5yti FLAGELLAR HOOK
ASSOCIATED PROTEIN
TYPE 3 FLGL

(Legionella
pneumophila) 		no annotation 5 ASN A 190
GLY A 191
VAL A 276
SER A 289
ILE A 195
 None
 1.28A 3k13C-5ytiA:
undetectable		 3k13C-5ytiA:
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.
5z9s GLYCOSYL HYDROLASE
FAMILY 3 PROTEIN

(Bifidobacterium
longum) 		no annotation 5 GLY A 516
ASP A 414
GLY A 420
SER A 562
ASN A 597
 None
 1.28A 3k13C-5z9sA:
5.7		 3k13C-5z9sA:
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.
5zu5 ALGINATE LYASE

(Vibrio
splendidus) 		no annotation 5 GLY A 134
VAL A 156
GLY A  69
SER A  67
ILE A 101
 None
 1.27A 3k13C-5zu5A:
undetectable		 3k13C-5zu5A:
undetectable