SIMILAR PATTERNS OF AMINO ACIDS FOR 3K13_A_THHA642_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.
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
 1.12A 3k13A-1ewkA:
undetectable		 3k13A-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) 		6 GLU A   6
ASN A   9
ASP A  75
GLY A 196
SER A 198
ILE A 227
 None
 0.38A 3k13A-1f6yA:
29.0		 3k13A-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 3k13A-1gq1A:
undetectable		 3k13A-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)
 1.24A 3k13A-1htpA:
undetectable		 3k13A-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
 1.21A 3k13A-1id0A:
undetectable		 3k13A-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.
1kb0 QUINOHEMOPROTEIN
ALCOHOL
DEHYDROGENASE

(Comamonas
testosteroni) 		PF13360
(PQQ_2)
PF13442
(Cytochrome_CBB3) 		5 ASN A 263
GLY A 262
VAL A 416
GLY A 391
ASN A 394
 CA  A 801 ( 2.8A)
None
None
None
PQQ  A1800 (-3.1A)
 1.10A 3k13A-1kb0A:
undetectable		 3k13A-1kb0A:
18.11
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.
1kfi PHOSPHOGLUCOMUTASE 1

(Paramecium
tetraurelia) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 GLU A  54
VAL A  90
GLY A 119
PHE A 153
ILE A 118
 None
 1.20A 3k13A-1kfiA:
undetectable		 3k13A-1kfiA:
19.35
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.
1php 3-PHOSPHOGLYCERATE
KINASE

(Geobacillus
stearothermophilus) 		PF00162
(PGK) 		5 GLU A 174
GLY A 147
VAL A 204
GLY A 349
ARG A  36
 None
 0.98A 3k13A-1phpA:
undetectable		 3k13A-1phpA:
23.10
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.
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 3k13A-1pieA:
undetectable		 3k13A-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.
1qrr SULFOLIPID
BIOSYNTHESIS (SQD1)
PROTEIN

(Arabidopsis
thaliana) 		PF01370
(Epimerase) 		5 GLU A 302
ASN A 301
GLY A 260
VAL A 318
ARG A 263
 None
None
None
None
UPG  A 402 (-3.7A)
 1.28A 3k13A-1qrrA:
3.4		 3k13A-1qrrA:
21.41
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.
1rbl RIBULOSE 1,5
BISPHOSPHATE
CARBOXYLASE/OXYGENAS
E (LARGE CHAIN)

(Synechococcus
elongatus) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 GLU A 447
GLY A 449
VAL A 391
GLY A 441
ILE A 444
 None
 1.29A 3k13A-1rblA:
8.3		 3k13A-1rblA:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.23A 3k13A-1v19A:
undetectable		 3k13A-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.
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
 1.28A 3k13A-1wr8A:
undetectable		 3k13A-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.
1xoc OLIGOPEPTIDE-BINDING
PROTEIN APPA

(Bacillus
subtilis) 		PF00496
(SBP_bac_5) 		5 GLU A 514
GLY A 186
VAL A  26
PHE A  55
ILE A 513
 None
 0.99A 3k13A-1xocA:
undetectable		 3k13A-1xocA:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.17A 3k13A-1zc6A:
undetectable		 3k13A-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.
1zmr PHOSPHOGLYCERATE
KINASE

(Escherichia
coli) 		PF00162
(PGK) 		5 GLU A 170
GLY A 142
VAL A 200
GLY A 339
ARG A  36
 None
 1.04A 3k13A-1zmrA:
undetectable		 3k13A-1zmrA:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.15A 3k13A-2bi7A:
undetectable		 3k13A-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.
2ca4 SULFITE:CYTOCHROME C
OXIDOREDUCTASE
SUBUNIT A

(Starkeya
novella) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer) 		5 GLY A 119
GLY A 124
SER A 108
PHE A   8
ARG A 115
 None
 1.18A 3k13A-2ca4A:
undetectable		 3k13A-2ca4A:
23.66
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.
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
 1.14A 3k13A-2ddxA:
5.4		 3k13A-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
 1.20A 3k13A-2dvmA:
undetectable		 3k13A-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.
2e0x GAMMA-GLUTAMYLTRANSP
EPTIDASE
GAMMA-GLUTAMYLTRANSP
EPTIDASE

(Escherichia
coli;
Escherichia
coli) 		PF01019
(G_glu_transpept)
PF01019
(G_glu_transpept) 		5 GLY B 424
GLY B 417
SER A 205
PHE A 209
ILE B 418
 None
 1.25A 3k13A-2e0xB:
undetectable		 3k13A-2e0xB:
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.
2ftw DIHYDROPYRIMIDINE
AMIDOHYDROLASE

(Dictyostelium
discoideum) 		PF01979
(Amidohydro_1) 		5 GLY A  93
GLY A 434
SER A 356
PHE A 373
ILE A 435
 None
 1.11A 3k13A-2ftwA:
5.4		 3k13A-2ftwA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 3k13A-2haeA:
undetectable		 3k13A-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.
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 3k13A-2o2cA:
undetectable		 3k13A-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.
2p6r AFUHEL308 HELICASE

(Archaeoglobus
fulgidus) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 GLY A 618
ASP A 507
GLY A 626
ARG A 636
ILE A 571
 None
 1.28A 3k13A-2p6rA:
undetectable		 3k13A-2p6rA:
21.16
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.
2vun ENAMIDASE

(Eubacterium
barkeri) 		PF01979
(Amidohydro_1) 		5 ASN A 222
GLY A 250
VAL A 210
GLY A 195
ILE A 228
 None
 1.12A 3k13A-2vunA:
5.2		 3k13A-2vunA:
23.33
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.
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
 1.19A 3k13A-2w87A:
undetectable		 3k13A-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
 1.26A 3k13A-2wedA:
undetectable		 3k13A-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.
2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE

(Carboxydothermus
hydrogenoformans) 		PF00809
(Pterin_bind) 		7 GLU A   7
ASN A  10
ASP A  76
GLY A 197
SER A 199
ASN A 200
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 (-4.6A)
 0.29A 3k13A-2ycjA:
29.6		 3k13A-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.
2yqu 2-OXOGLUTARATE
DEHYDROGENASE E3
COMPONENT

(Thermus
thermophilus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A   8
VAL A 286
GLY A 301
ARG A  42
ILE A 300
 FAD  A1601 (-3.3A)
None
FAD  A1601 (-3.3A)
FAD  A1601 (-3.9A)
None
 1.18A 3k13A-2yquA:
undetectable		 3k13A-2yquA:
23.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3alf CHITINASE, CLASS V

(Nicotiana
tabacum) 		PF00704
(Glyco_hydro_18) 		5 GLY A 213
SER A 209
ASN A 157
PHE A 185
ILE A 214
 None
 1.11A 3k13A-3alfA:
8.8		 3k13A-3alfA:
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.
3alf CHITINASE, CLASS V

(Nicotiana
tabacum) 		PF00704
(Glyco_hydro_18) 		5 VAL A 222
GLY A 213
SER A 209
ASN A 157
PHE A 185
 None
 1.28A 3k13A-3alfA:
8.8		 3k13A-3alfA:
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.
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
 0.25A 3k13A-3bolA:
22.6		 3k13A-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.
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
 1.26A 3k13A-3d7lA:
2.4		 3k13A-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
 1.15A 3k13A-3e9mA:
undetectable		 3k13A-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.
3enq RIBOSE-5-PHOSPHATE
ISOMERASE A

(Vibrio
vulnificus) 		PF06026
(Rib_5-P_isom_A) 		5 GLU A 103
GLY A  97
VAL A 192
GLY A 196
PHE A 129
 None
 1.29A 3k13A-3enqA:
undetectable		 3k13A-3enqA:
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.
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
 1.14A 3k13A-3hmjA:
undetectable		 3k13A-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.
3hut PUTATIVE
BRANCHED-CHAIN AMINO
ACID ABC TRANSPORTER

(Rhodospirillum
rubrum) 		PF13458
(Peripla_BP_6) 		5 GLU A 162
GLY A 188
VAL A 178
GLY A 261
SER A 263
 None
 1.29A 3k13A-3hutA:
2.6		 3k13A-3hutA:
23.31
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.
3iuz PUTATIVE GLYOXALASE
SUPERFAMILY PROTEIN

(Cupriavidus
pinatubonensis) 		PF07063
(DUF1338) 		5 GLY A  98
GLY A 232
ASN A 233
PHE A 102
ILE A 228
 MLY  A  88 ( 3.8A)
None
None
None
None
 1.25A 3k13A-3iuzA:
undetectable		 3k13A-3iuzA:
23.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.18A 3k13A-3jb9c:
undetectable		 3k13A-3jb9c:
19.27
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) 		7 ASN A 361
GLY A 364
ARG A 366
ASP A 396
VAL A 478
GLY A 558
ASN A 561
 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)
 1.30A 3k13A-3k13A:
51.9		 3k13A-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
 1.20A 3k13A-3k13A:
51.9		 3k13A-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
ASP A 431
GLY A 357
ARG A 573
 GOL  A 643 (-3.1A)
THH  A 642 (-3.7A)
THH  A 642 (-3.3A)
None
THH  A 642 (-3.1A)
 1.26A 3k13A-3k13A:
51.9		 3k13A-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) 		10 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
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)
THH  A 642 (-4.2A)
 0.02A 3k13A-3k13A:
51.9		 3k13A-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) 		9 GLU A 358
ASN A 361
GLY A 364
ASP A 431
VAL A 478
GLY A 558
SER A 560
ARG A 567
ILE A 593
 THH  A 642 ( 3.5A)
GOL  A 643 (-3.1A)
THH  A 642 (-3.7A)
THH  A 642 (-3.3A)
None
THH  A 642 (-3.3A)
K  A 644 ( 3.4A)
THH  A 642 (-3.4A)
THH  A 642 (-4.2A)
 0.64A 3k13A-3k13A:
51.9		 3k13A-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.
3kcx HYPOXIA-INDUCIBLE
FACTOR 1-ALPHA
INHIBITOR

(Homo sapiens) 		PF13621
(Cupin_8) 		5 GLY A 190
SER A 283
ASN A 194
ARG A  33
ILE A 289
 None
 1.27A 3k13A-3kcxA:
undetectable		 3k13A-3kcxA:
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.
3l7o RIBOSE-5-PHOSPHATE
ISOMERASE A

(Streptococcus
mutans) 		PF06026
(Rib_5-P_isom_A) 		5 GLU A 104
GLY A  98
VAL A 197
GLY A 201
PHE A 130
 None
 1.17A 3k13A-3l7oA:
undetectable		 3k13A-3l7oA:
23.68
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.
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
 1.24A 3k13A-3ljpA:
undetectable		 3k13A-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.
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
 1.11A 3k13A-3lmkA:
undetectable		 3k13A-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.
3lvy CARBOXYMUCONOLACTONE
DECARBOXYLASE FAMILY

(Streptococcus
mutans) 		PF02627
(CMD) 		5 ASN A  27
VAL A  16
GLY A  36
PHE A  80
ILE A  31
 None
 1.24A 3k13A-3lvyA:
undetectable		 3k13A-3lvyA:
22.19
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 3k13A-3ml4A:
undetectable		 3k13A-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.
3ml4 PROTEIN DOK-7

(Mus musculus) 		PF02174
(IRS) 		5 GLU A 110
ASN A 135
GLY A 109
ASP A 136
GLY A 202
 None
 1.29A 3k13A-3ml4A:
undetectable		 3k13A-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
 1.14A 3k13A-3nv9A:
undetectable		 3k13A-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
 1.21A 3k13A-3nwrA:
7.7		 3k13A-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.
3ogk CORONATINE-INSENSITI
VE PROTEIN 1

(Arabidopsis
thaliana) 		no annotation 5 ASN B 392
GLY B 427
ASP B 421
GLY B 449
PHE B 443
 None
 1.13A 3k13A-3ogkB:
undetectable		 3k13A-3ogkB:
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.
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
 1.25A 3k13A-3oixA:
6.5		 3k13A-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.
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
 1.28A 3k13A-3qlbA:
undetectable		 3k13A-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.
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 3k13A-3r0oA:
undetectable		 3k13A-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
 1.22A 3k13A-3riqA:
undetectable		 3k13A-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.
3ssm METHYLTRANSFERASE

(Micromonospora
griseorubida) 		no annotation 5 GLU A  45
VAL A  98
GLY A 156
ARG A 194
ILE A  46
 None
 1.10A 3k13A-3ssmA:
undetectable		 3k13A-3ssmA:
23.00
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.
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
 1.25A 3k13A-3vbeA:
undetectable		 3k13A-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 3k13A-3vnkA:
5.8		 3k13A-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.
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
 1.08A 3k13A-4beqA:
8.7		 3k13A-4beqA:
23.47
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) 		8 ASN A 379
GLY A 382
ASP A 414
VAL A 496
GLY A 576
ASN A 579
PHE A 582
ARG A 585
 THG  A1652 (-4.6A)
THG  A1652 (-3.8A)
None
None
THG  A1652 (-3.6A)
THG  A1652 (-3.1A)
THG  A1652 (-4.5A)
THG  A1652 (-3.3A)
 1.45A 3k13A-4cczA:
43.4		 3k13A-4cczA:
30.34
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) 		5 ASN A 379
GLY A 382
ASP A 449
GLY A 375
ARG A 591
 THG  A1652 (-4.6A)
THG  A1652 (-3.8A)
THG  A1652 (-3.4A)
None
THG  A1652 (-3.0A)
 1.26A 3k13A-4cczA:
43.4		 3k13A-4cczA:
30.34
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) 		11 GLU A 376
ASN A 379
GLY A 382
ASP A 449
VAL A 496
GLY A 576
SER A 578
ASN A 579
PHE A 582
ARG A 585
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 (-4.5A)
THG  A1652 (-3.3A)
THG  A1652 (-4.2A)
 0.38A 3k13A-4cczA:
43.4		 3k13A-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.
4dhi UBIQUITIN
THIOESTERASE
OTUBAIN-LIKE

(Caenorhabditis
elegans) 		PF10275
(Peptidase_C65) 		5 GLU B 258
GLY B 226
GLY B  96
PHE B 111
ILE B 259
 None
 1.04A 3k13A-4dhiB:
undetectable		 3k13A-4dhiB:
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.
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
 1.14A 3k13A-4dkjA:
undetectable		 3k13A-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)
 1.20A 3k13A-4fc7A:
undetectable		 3k13A-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.
4l8k PUTATIVE PEPTIDASE

(Parabacteroides
merdae) 		PF03572
(Peptidase_S41)
PF14684
(Tricorn_C1) 		5 ASN A 244
GLY A 265
ASP A 245
VAL A 217
PHE A  43
 None
None
MPD  A 403 (-4.0A)
MPD  A 403 (-4.3A)
None
 1.30A 3k13A-4l8kA:
undetectable		 3k13A-4l8kA:
23.41
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.
4mtn TRANSCRIPTION
TERMINATION FACTOR
NUSA

(Planctopirus
limnophila) 		PF00575
(S1)
PF08529
(NusA_N)
PF13184
(KH_5)
PF14520
(HHH_5) 		5 GLU A 241
GLY A 239
PHE A 176
ARG A 171
ILE A 243
 None
 1.27A 3k13A-4mtnA:
undetectable		 3k13A-4mtnA:
21.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4myn FORMIMINOGLUTAMASE

(Trypanosoma
cruzi) 		PF00491
(Arginase) 		5 GLU A 273
GLY A 112
ASP A 270
VAL A 134
SER A 154
 None
 1.03A 3k13A-4mynA:
undetectable		 3k13A-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) 		5 ASN A  10
ASP A  76
GLY A 196
SER A 198
ILE A 227
 C2F  A3000 ( 4.5A)
C2F  A3000 (-3.6A)
C2F  A3000 (-3.5A)
C2F  A3000 ( 3.8A)
C2F  A3000 (-4.3A)
 1.26A 3k13A-4o1eA:
27.8		 3k13A-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)
 0.61A 3k13A-4o1eA:
27.8		 3k13A-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.
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
 1.23A 3k13A-4r1dA:
undetectable		 3k13A-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.
4raf PROTEIN PHOSPHATASE
1A

(Homo sapiens) 		PF00481
(PP2C)
PF07830
(PP2C_C) 		5 GLU A  35
ASN A 283
ASP A  60
VAL A 193
PHE A   4
 None
None
MN  A 401 (-2.5A)
None
None
 1.29A 3k13A-4rafA:
undetectable		 3k13A-4rafA:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.21A 3k13A-4xivA:
undetectable		 3k13A-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
 1.00A 3k13A-4yh2A:
undetectable		 3k13A-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.
4zz7 METHYLMALONATE-SEMIA
LDEHYDE
DEHYDROGENASE

(Oceanimonas
doudoroffii) 		PF00171
(Aldedh) 		5 GLU A 382
GLY A 385
VAL A 442
ASN A 149
PHE A 148
 NAD  A 501 (-3.0A)
None
None
NAD  A 501 (-3.1A)
NAD  A 501 (-4.1A)
 1.29A 3k13A-4zz7A:
undetectable		 3k13A-4zz7A:
22.05
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.
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
 1.08A 3k13A-4zzqA:
undetectable		 3k13A-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.
5bt8 PHOSPHOGLYCERATE
KINASE

(Acinetobacter
baumannii) 		PF00162
(PGK) 		5 GLU A 170
GLY A 142
VAL A 200
GLY A 349
ARG A  36
 None
 1.09A 3k13A-5bt8A:
undetectable		 3k13A-5bt8A:
22.14
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.
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
 1.15A 3k13A-5g06B:
undetectable		 3k13A-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.
5jbw 3-HYDROXYBUTYRYL-COA
DEHYDRATASE

(Myxococcus
xanthus) 		PF00378
(ECH_1) 		5 GLU A 132
GLY A 140
GLY A  63
PHE A  88
ARG A 146
 None
 1.29A 3k13A-5jbwA:
undetectable		 3k13A-5jbwA:
24.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT

(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		PF02538
(Hydantoinase_B)
PF01968
(Hydantoinase_A)
PF05378
(Hydant_A_N) 		5 GLY B 572
VAL B 529
GLY A 408
SER A 410
ASN A 405
 None
None
None
EPE  A 704 (-3.7A)
None
 1.25A 3k13A-5l9wB:
undetectable		 3k13A-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 3k13A-5moyA:
undetectable		 3k13A-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
 1.05A 3k13A-5o5dA:
undetectable		 3k13A-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.
5oe5 ANTHRANILATE--COA
LIGASE

(Pseudomonas
aeruginosa) 		PF00501
(AMP-binding) 		5 ASP A 382
VAL A 353
GLY A 302
PHE A 209
ILE A 301
 3UK  A 900 (-2.0A)
None
3UK  A 900 (-3.4A)
3UK  A 900 (-4.2A)
3UK  A 900 (-4.0A)
 1.14A 3k13A-5oe5A:
undetectable		 3k13A-5oe5A:
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.
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 3k13A-5v1sA:
6.7		 3k13A-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.
5vai UNCHARACTERIZED
PROTEIN

(Oryctolagus
cuniculus) 		PF00002
(7tm_2)
PF02793
(HRM) 		5 GLU R 364
ASN R 320
GLY R 361
ASN R 240
PHE R 187
 None
 1.25A 3k13A-5vaiR:
undetectable		 3k13A-5vaiR:
19.59
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.
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 3k13A-5vi6A:
undetectable		 3k13A-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.
5vni PROTEIN TRANSPORT
PROTEIN SEC23A

(Homo sapiens) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		5 GLY A 374
ASP A 598
VAL A 301
GLY A 292
PHE A 377
 None
 1.21A 3k13A-5vniA:
undetectable		 3k13A-5vniA:
18.85
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.
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)
 1.43A 3k13A-5vopA:
39.5		 3k13A-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 9 GLU A 373
ASN A 376
GLY A 379
ASP A 443
VAL A 490
GLY A 570
SER A 572
ASN A 573
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 (-3.5A)
 0.29A 3k13A-5vopA:
39.5		 3k13A-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 3k13A-5vprA:
undetectable		 3k13A-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.
5wan PYRIMIDINE
MONOOXYGENASE RUTA

(Escherichia
coli) 		PF00296
(Bac_luciferase) 		5 ASN A  65
GLY A  11
SER A  48
PHE A   7
ILE A  50
 None
None
None
FMN  A 409 (-4.7A)
FMN  A 409 (-4.8A)
 1.07A 3k13A-5wanA:
8.0		 3k13A-5wanA:
21.45
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.
5x7f PUTATIVE
O-METHYLTRANSFERASE
RV1220C

(Mycobacterium
tuberculosis) 		PF01596
(Methyltransf_3) 		5 GLY A  70
ARG A  33
ASP A 138
VAL A 209
GLY A  47
 SAM  A 301 ( 4.5A)
None
SAM  A 301 (-3.6A)
None
None
 1.25A 3k13A-5x7fA:
undetectable		 3k13A-5x7fA:
23.67
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.
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 3k13A-5ytiA:
undetectable		 3k13A-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
 1.29A 3k13A-5z9sA:
5.7		 3k13A-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
 1.28A 3k13A-5zu5A:
undetectable		 3k13A-5zu5A:
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.
6bz0 DIHYDROLIPOYL
DEHYDROGENASE

(Acinetobacter
baumannii) 		no annotation 5 GLY A  11
VAL A 302
GLY A 317
ARG A  36
ILE A 316
 FAD  A 501 (-3.3A)
None
FAD  A 501 (-3.4A)
FAD  A 501 (-3.8A)
None
 1.21A 3k13A-6bz0A:
undetectable		 3k13A-6bz0A:
undetectable