SIMILAR PATTERNS OF AMINO ACIDS FOR 3K13_B_THHB643

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
 1.14A 3k13B-1ewkA:
undetectable		 3k13B-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.
1eye DIHYDROPTEROATE
SYNTHASE I

(Mycobacterium
tuberculosis) 		PF00809
(Pterin_bind) 		5 ASP A  86
ASN A 105
VAL A 128
GLY A 209
SER A 211
 PMM  A 301 (-3.2A)
PMM  A 301 (-2.9A)
None
PMM  A 301 (-3.5A)
None
 0.60A 3k13B-1eyeA:
18.7		 3k13B-1eyeA:
24.77
Potential target for repurposing, i.e. matched protein structure has less than 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) 		8 GLU A   6
ASN A   9
ASP A  75
ASN A  96
GLY A 196
SER A 198
ARG A 207
ILE A 227
 None
 0.48A 3k13B-1f6yA:
28.9		 3k13B-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.
1foh PHENOL HYDROXYLASE

(Cutaneotrichosporon
cutaneum) 		PF01494
(FAD_binding_3)
PF07976
(Phe_hydrox_dim) 		5 ASN A 449
GLY A 448
ASP A 102
VAL A 114
GLY A 367
 None
None
None
None
IPH  A 802 (-3.7A)
 1.27A 3k13B-1fohA:
undetectable		 3k13B-1fohA:
19.94
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.
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 3k13B-1gq1A:
undetectable		 3k13B-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 3k13B-1htpA:
undetectable		 3k13B-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 3k13B-1id0A:
undetectable		 3k13B-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)
 1.09A 3k13B-1kb0A:
undetectable		 3k13B-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.
1pox PYRUVATE OXIDASE

(Lactobacillus
plantarum) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 GLY A 448
ASN A 469
VAL A 467
GLY A 425
ILE A 426
 TPP  A 611 (-3.4A)
None
None
None
None
 1.23A 3k13B-1poxA:
undetectable		 3k13B-1poxA:
19.32
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 3k13B-1v19A:
undetectable		 3k13B-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
 1.26A 3k13B-1wr8A:
undetectable		 3k13B-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.
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 3k13B-1zc6A:
undetectable		 3k13B-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
 1.14A 3k13B-2bi7A:
undetectable		 3k13B-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 3k13B-2bwsA:
undetectable		 3k13B-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.
2dqw DIHYDROPTEROATE
SYNTHASE

(Thermus
thermophilus) 		PF00809
(Pterin_bind) 		5 ASP A 109
ASN A 128
VAL A 150
GLY A 229
SER A 231
 None
 0.98A 3k13B-2dqwA:
18.5		 3k13B-2dqwA:
26.65
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.
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 3k13B-2dvmA:
undetectable		 3k13B-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
 1.14A 3k13B-2e3xB:
undetectable		 3k13B-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 3k13B-2haeA:
undetectable		 3k13B-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
 1.14A 3k13B-2o2cA:
undetectable		 3k13B-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.
2osa N-CHIMAERIN

(Homo sapiens) 		PF00620
(RhoGAP) 		5 GLU A 291
ASP A 335
ASN A 337
GLY A 296
SER A 294
 None
 1.18A 3k13B-2osaA:
undetectable		 3k13B-2osaA:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vef DIHYDROPTEROATE
SYNTHASE

(Streptococcus
pneumoniae) 		PF00809
(Pterin_bind) 		5 ASP A  51
ASN A 110
VAL A 133
GLY A 233
SER A 235
 None
 1.20A 3k13B-2vefA:
18.8		 3k13B-2vefA:
26.05
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.
2vef DIHYDROPTEROATE
SYNTHASE

(Streptococcus
pneumoniae) 		PF00809
(Pterin_bind) 		5 ASP A  91
ASN A 110
VAL A 133
GLY A 233
SER A 235
 None
 0.61A 3k13B-2vefA:
18.8		 3k13B-2vefA:
26.05
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.
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
 1.18A 3k13B-2w87A:
undetectable		 3k13B-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 3k13B-2wedA:
undetectable		 3k13B-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) 		9 GLU A   7
ASN A  10
ASP A  76
ASN A  97
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 (-3.0A)
C2F  A3000 (-3.6A)
GOL  A1270 ( 3.9A)
C2F  A3000 (-3.1A)
C2F  A3000 ( 2.6A)
C2F  A3000 (-4.6A)
 0.42A 3k13B-2ycjA:
29.5		 3k13B-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
 1.28A 3k13B-3a18A:
undetectable		 3k13B-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) 		7 GLU A 320
ASN A 323
ASP A 390
ASN A 411
GLY A 505
SER A 507
ILE A 536
 None
 0.33A 3k13B-3bolA:
22.6		 3k13B-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 3k13B-3d7lA:
2.1		 3k13B-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
 1.14A 3k13B-3e9mA:
undetectable		 3k13B-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.
3ezo MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE

(Burkholderia
pseudomallei) 		PF00698
(Acyl_transf_1) 		5 GLU A 154
GLY A 168
ASN A 157
GLY A 250
SER A 200
 None
 0.93A 3k13B-3ezoA:
undetectable		 3k13B-3ezoA:
25.07
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.
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 3k13B-3fg2P:
undetectable		 3k13B-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
 1.16A 3k13B-3hmjA:
undetectable		 3k13B-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
 1.19A 3k13B-3jb9c:
undetectable		 3k13B-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) 		8 ASN A 361
GLY A 364
ARG A 366
ASP A 396
VAL A 478
GLY A 558
ASN A 561
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)
THH  A 642 (-3.1A)
 1.30A 3k13B-3k13A:
50.5		 3k13B-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) 		6 ASN A 361
GLY A 364
ARG A 366
ASP A 431
ASN A 452
GLY A 357
 GOL  A 643 (-3.1A)
THH  A 642 (-3.7A)
THH  A 642 (-3.2A)
THH  A 642 (-3.3A)
THH  A 642 (-3.0A)
None
 1.47A 3k13B-3k13A:
50.5		 3k13B-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
ASN A 452
ARG A 567
 GOL  A 643 (-3.1A)
THH  A 642 (-3.7A)
THH  A 642 (-3.3A)
THH  A 642 (-3.0A)
THH  A 642 (-3.4A)
 1.19A 3k13B-3k13A:
50.5		 3k13B-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 ASP A 431
ASN A 452
VAL A 478
GLY A 557
ILE A 593
 THH  A 642 (-3.3A)
THH  A 642 (-3.0A)
None
None
THH  A 642 (-4.2A)
 1.11A 3k13B-3k13A:
50.5		 3k13B-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
ASN A 452
VAL A 478
GLY A 558
SER A 560
ASN A 561
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)
THH  A 642 (-3.0A)
None
THH  A 642 (-3.3A)
K  A 644 ( 3.4A)
THH  A 642 ( 3.3A)
THH  A 642 (-3.1A)
THH  A 642 (-4.2A)
 0.12A 3k13B-3k13A:
50.5		 3k13B-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.
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
 1.22A 3k13B-3ljpA:
undetectable		 3k13B-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
 1.13A 3k13B-3lmkA:
undetectable		 3k13B-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 3k13B-3lxdA:
undetectable		 3k13B-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
 1.24A 3k13B-3ml4A:
undetectable		 3k13B-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 3k13B-3nv9A:
undetectable		 3k13B-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 3k13B-3nwrA:
10.1		 3k13B-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 3k13B-3oixA:
10.3		 3k13B-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)
 1.21A 3k13B-3p19A:
undetectable		 3k13B-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.
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 3k13B-3r0oA:
undetectable		 3k13B-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 3k13B-3riqA:
undetectable		 3k13B-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.
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 3k13B-3vbeA:
undetectable		 3k13B-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
 1.13A 3k13B-3vnkA:
7.8		 3k13B-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.
3vva ALTERNATIVE OXIDASE,
MITOCHONDRIAL

(Trypanosoma
brucei) 		PF01786
(AOX) 		5 ASN A 289
GLY A 150
ASN A 273
VAL A 209
GLY A 133
 None
 1.01A 3k13B-3vvaA:
undetectable		 3k13B-3vvaA:
23.40
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) 		7 ASN A 379
GLY A 382
ASP A 414
VAL A 496
GLY A 576
SER A 578
ASN A 579
 THG  A1652 (-4.6A)
THG  A1652 (-3.8A)
None
None
THG  A1652 (-3.6A)
THG  A1652 (-4.2A)
THG  A1652 (-3.1A)
 1.50A 3k13B-4cczA:
43.2		 3k13B-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) 		7 ASN A 379
GLY A 382
ASP A 449
ASN A 470
VAL A 496
ASN A 579
ARG A 585
 THG  A1652 (-4.6A)
THG  A1652 (-3.8A)
THG  A1652 (-3.4A)
THG  A1652 (-3.2A)
None
THG  A1652 (-3.1A)
THG  A1652 (-3.3A)
 1.45A 3k13B-4cczA:
43.2		 3k13B-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 ASP A 449
ASN A 470
VAL A 496
GLY A 575
ILE A 611
 THG  A1652 (-3.4A)
THG  A1652 (-3.2A)
None
None
THG  A1652 (-4.2A)
 1.11A 3k13B-4cczA:
43.2		 3k13B-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
ASN A 470
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)
THG  A1652 (-3.2A)
None
THG  A1652 (-3.6A)
THG  A1652 (-4.2A)
THG  A1652 (-3.1A)
THG  A1652 (-3.0A)
THG  A1652 (-4.2A)
 0.30A 3k13B-4cczA:
43.2		 3k13B-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
 1.16A 3k13B-4dkjA:
undetectable		 3k13B-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 3k13B-4fc7A:
3.4		 3k13B-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.
4jhz BETA-GLUCURONIDASE

(Escherichia
coli) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		5 ASN A 412
VAL A 444
GLY A 294
ASN A 550
ARG A 575
 None
 0.94A 3k13B-4jhzA:
9.6		 3k13B-4jhzA:
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.
4jkl BETA-GLUCURONIDASE

(Streptococcus
agalactiae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		5 ASN A 407
VAL A 440
GLY A 293
ASN A 547
ARG A 572
 None
 0.85A 3k13B-4jklA:
10.5		 3k13B-4jklA:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jkm BETA-GLUCURONIDASE

(Clostridium
perfringens) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		5 ASN A 411
VAL A 444
GLY A 296
ASN A 551
ARG A 576
 None
 0.92A 3k13B-4jkmA:
10.1		 3k13B-4jkmA:
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.
4mh1 SORBOSE
DEHYDROGENASE

(Ketogulonicigenium
vulgare) 		PF13360
(PQQ_2) 		5 GLY A 383
ASN A 531
VAL A 539
GLY A 439
ILE A 438
 None
 0.81A 3k13B-4mh1A:
undetectable		 3k13B-4mh1A:
19.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4myn FORMIMINOGLUTAMASE

(Trypanosoma
cruzi) 		PF00491
(Arginase) 		5 GLU A 273
GLY A 112
ASP A 270
VAL A 134
SER A 154
 None
 1.02A 3k13B-4mynA:
undetectable		 3k13B-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) 		7 ASN A  10
ASP A  76
ASN A  97
GLY A 196
SER A 198
ARG A 207
ILE A 227
 C2F  A3000 ( 4.5A)
C2F  A3000 (-3.6A)
C2F  A3000 (-3.0A)
C2F  A3000 (-3.5A)
C2F  A3000 ( 3.8A)
None
C2F  A3000 (-4.3A)
 1.17A 3k13B-4o1eA:
27.8		 3k13B-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) 		6 GLU A   7
ASN A  10
ASP A  76
ASN A  97
GLY A 196
ILE A 227
 C2F  A3000 (-3.6A)
C2F  A3000 ( 4.5A)
C2F  A3000 (-3.6A)
C2F  A3000 (-3.0A)
C2F  A3000 (-3.5A)
C2F  A3000 (-4.3A)
 0.60A 3k13B-4o1eA:
27.8		 3k13B-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.
4ppm AMINOTRANSFERASE

(Serratia sp.
FS14) 		PF00202
(Aminotran_3) 		5 GLY A 441
ARG A 822
ASN A 450
GLY A 649
SER A 646
 None
 1.28A 3k13B-4ppmA:
undetectable		 3k13B-4ppmA:
16.49
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.
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
 1.25A 3k13B-4pv4A:
undetectable		 3k13B-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.
4pzv 2-AMINO-4-HYDROXY-6-
HYDROXYMETHYLDIHYDRO
PTERIDINE
PYROPHOSPHOKINASE/DI
HYDROPTEROATE
SYNTHASE

(Francisella
tularensis) 		PF00809
(Pterin_bind)
PF01288
(HPPK) 		5 ASP A 209
ASN A 276
VAL A 298
GLY A 378
SER A 380
 None
 1.08A 3k13B-4pzvA:
19.1		 3k13B-4pzvA:
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.
4pzv 2-AMINO-4-HYDROXY-6-
HYDROXYMETHYLDIHYDRO
PTERIDINE
PYROPHOSPHOKINASE/DI
HYDROPTEROATE
SYNTHASE

(Francisella
tularensis) 		PF00809
(Pterin_bind)
PF01288
(HPPK) 		5 ASP A 254
ASN A 276
VAL A 298
GLY A 378
SER A 380
 None
 0.60A 3k13B-4pzvA:
19.1		 3k13B-4pzvA:
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.
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
 1.25A 3k13B-4r1dA:
undetectable		 3k13B-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.
4um8 INTEGRIN ALPHA-V
INTEGRIN BETA-6

(Homo sapiens;
Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2)
PF00362
(Integrin_beta)
PF17205
(PSI_integrin) 		5 GLY B 296
ASN B 305
GLY B 274
ASN B 272
ARG A 339
 None
None
None
None
SO4  A1597 ( 4.8A)
 1.21A 3k13B-4um8B:
undetectable		 3k13B-4um8B:
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.
4whn APXC

(Actinobacillus
pleuropneumoniae) 		PF02794
(HlyC) 		5 GLU A  41
ASN A  43
VAL A  14
GLY A   7
ILE A  40
 None
 1.24A 3k13B-4whnA:
undetectable		 3k13B-4whnA:
17.92
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.
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 3k13B-4xivA:
undetectable		 3k13B-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
 1.19A 3k13B-4xivA:
undetectable		 3k13B-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
 0.97A 3k13B-4yh2A:
undetectable		 3k13B-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.
4zdk CTP SYNTHASE

(Mycobacterium
tuberculosis) 		PF00117
(GATase)
PF06418
(CTP_synth_N) 		5 GLY A 377
ASN A 413
GLY A 371
SER A 342
ILE A 372
 None
 1.24A 3k13B-4zdkA:
undetectable		 3k13B-4zdkA:
20.27
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.
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
 1.11A 3k13B-4zzqA:
undetectable		 3k13B-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.
5a2g CARBOXYLIC ESTER
HYDROLASE

(Hungatella
hathewayi) 		PF00135
(COesterase) 		5 ASN A  93
GLY A  33
ARG A  35
ASN A 128
ILE A  30
 None
None
None
PO4  A1503 (-4.1A)
None
 1.18A 3k13B-5a2gA:
3.3		 3k13B-5a2gA:
18.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a5g FORMATE--TETRAHYDROF
OLATE LIGASE

(Tepidanaerobacter
acetatoxydans) 		PF01268
(FTHFS) 		5 ASN A 360
GLY A 506
ASN A 367
VAL A 371
GLY A 462
 None
 1.26A 3k13B-5a5gA:
undetectable		 3k13B-5a5gA:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a5g FORMATE--TETRAHYDROF
OLATE LIGASE

(Tepidanaerobacter
acetatoxydans) 		PF01268
(FTHFS) 		5 GLY A 506
ASN A 367
VAL A 371
GLY A 462
SER A 509
 None
 1.19A 3k13B-5a5gA:
undetectable		 3k13B-5a5gA:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dgq PUTATIVE
ENDOGLUCANASE-RELATE
D PROTEIN

(Photobacterium
profundum) 		PF00759
(Glyco_hydro_9) 		5 ASN A 304
GLY A 305
ASN A 158
GLY A 245
ASN A 298
 None
 1.28A 3k13B-5dgqA:
undetectable		 3k13B-5dgqA:
20.27
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.
5epg ALDEHYDE OXIDASE

(Homo sapiens) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 ASN A  72
GLY A 346
ASN A 436
ARG A 429
ILE A 349
 FES  A3002 ( 3.8A)
None
None
FAD  A3004 (-4.1A)
FAD  A3004 ( 4.3A)
 1.18A 3k13B-5epgA:
undetectable		 3k13B-5epgA:
13.19
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.
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
 1.27A 3k13B-5fp1A:
undetectable		 3k13B-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
 1.15A 3k13B-5g06B:
undetectable		 3k13B-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.
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
 1.27A 3k13B-5l9wB:
undetectable		 3k13B-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 3k13B-5moyA:
undetectable		 3k13B-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
 1.08A 3k13B-5o5dA:
undetectable		 3k13B-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
 1.09A 3k13B-5tiiA:
2.5		 3k13B-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.
5ugf PURINE NUCLEOSIDE
PHOSPHORYLASE

(Homo sapiens) 		PF01048
(PNP_UDP_1) 		5 GLY A  32
ASN A 243
VAL A 245
GLY A 218
SER A 220
 PO4  A 301 (-3.1A)
IM5  A 308 (-3.1A)
IM5  A 308 ( 4.5A)
IM5  A 308 (-3.4A)
PO4  A 301 (-2.5A)
 1.26A 3k13B-5ugfA:
undetectable		 3k13B-5ugfA:
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.
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
 1.16A 3k13B-5v1sA:
6.5		 3k13B-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 3k13B-5vi6A:
undetectable		 3k13B-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 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 3k13B-5vopA:
39.6		 3k13B-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 11 GLU A 373
ASN A 376
GLY A 379
ASP A 443
ASN A 464
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 (-2.2A)
C2F  A3001 ( 4.7A)
C2F  A3001 (-3.5A)
C2F  A3001 ( 4.5A)
C2F  A3001 (-2.6A)
C2F  A3001 (-3.0A)
C2F  A3001 (-3.5A)
 0.33A 3k13B-5vopA:
39.6		 3k13B-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.
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
 1.06A 3k13B-5w3jB:
2.4		 3k13B-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 3k13B-5wzeA:
undetectable		 3k13B-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 3k13B-5ytiA:
undetectable		 3k13B-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
 1.27A 3k13B-5z9sA:
5.8		 3k13B-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 3k13B-5zu5A:
undetectable		 3k13B-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.
6bo6 -

(-) 		no annotation 5 ASN A 424
VAL A 457
GLY A 307
ASN A 562
ARG A 587
 E0V  A 701 (-3.3A)
None
None
None
None
 0.88A 3k13B-6bo6A:
6.9		 3k13B-6bo6A:
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.
6day DIHYDROPTEROATE
SYNTHASE

(Xanthomonas
albilineans) 		no annotation 5 ASP A  61
ASN A 120
VAL A 142
GLY A 222
SER A 224
 None
 1.24A 3k13B-6dayA:
19.1		 3k13B-6dayA:
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.
6day DIHYDROPTEROATE
SYNTHASE

(Xanthomonas
albilineans) 		no annotation 5 ASP A 101
ASN A 120
VAL A 142
GLY A 222
SER A 224
 None
 0.64A 3k13B-6dayA:
19.1		 3k13B-6dayA:
undetectable