SIMILAR PATTERNS OF AMINO ACIDS FOR 1KF6_N_ACTN803_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.
1bd2 T CELL RECEPTOR
ALPHA

(Homo sapiens) 		PF07686
(V-set)
PF09291
(DUF1968) 		4 ARG D  61
GLY D  83
ASP D  84
TYR D  38
 None
 1.31A 1kf6M-1bd2D:
0.0
1kf6N-1bd2D:
0.0		 1kf6M-1bd2D:
13.73
1kf6N-1bd2D:
19.92
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.
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		4 ARG A 176
GLY A 525
ASP A 661
TYR A 490
 OXM  A1001 (-3.7A)
None
None
None
 0.82A 1kf6M-1h17A:
undetectable
1kf6N-1h17A:
0.0		 1kf6M-1h17A:
22.42
1kf6N-1h17A:
16.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jc9 TECHYLECTIN-5A

(Tachypleus
tridentatus) 		PF00147
(Fibrinogen_C) 		4 ARG A  95
GLY A 212
TYR A 216
TRP A 214
 None
 1.14A 1kf6M-1jc9A:
undetectable
1kf6N-1jc9A:
0.0		 1kf6M-1jc9A:
18.02
1kf6N-1jc9A:
21.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mqq ALPHA-D-GLUCURONIDAS
E

(Geobacillus
stearothermophilus) 		PF03648
(Glyco_hydro_67N)
PF07477
(Glyco_hydro_67C)
PF07488
(Glyco_hydro_67M) 		4 ARG A 159
GLY A 525
TYR A 535
TRP A 540
 GCU  A 701 (-3.4A)
None
GOL  A 753 (-4.3A)
GOL  A 753 (-3.9A)
 1.44A 1kf6M-1mqqA:
0.0
1kf6N-1mqqA:
0.0		 1kf6M-1mqqA:
21.33
1kf6N-1mqqA:
16.32
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.
1nzj HYPOTHETICAL PROTEIN
YADB

(Escherichia
coli) 		PF00749
(tRNA-synt_1c) 		4 ARG A 107
GLY A 117
ASP A 116
TYR A  99
 None
 1.14A 1kf6M-1nzjA:
0.0
1kf6N-1nzjA:
0.0		 1kf6M-1nzjA:
19.15
1kf6N-1nzjA:
23.75
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.
1ogp SULFITE OXIDASE

(Arabidopsis
thaliana) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer) 		4 TRP A 127
ARG A 207
GLY A 215
TYR A  49
 None
MTQ  A1394 (-3.1A)
MTQ  A1394 (-3.8A)
MTQ  A1394 (-3.6A)
 1.50A 1kf6M-1ogpA:
undetectable
1kf6N-1ogpA:
0.0		 1kf6M-1ogpA:
20.20
1kf6N-1ogpA:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1siq GLUTARYL-COA
DEHYDROGENASE

(Homo sapiens) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 GLY A 310
ASP A 314
TYR A 251
TRP A 255
 None
 1.14A 1kf6M-1siqA:
0.0
1kf6N-1siqA:
0.0		 1kf6M-1siqA:
19.49
1kf6N-1siqA:
19.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tot CREB-BINDING PROTEIN

(Mus musculus) 		PF00569
(ZZ) 		4 GLY A  48
ASP A  52
TYR A   7
TRP A  47
 None
 1.20A 1kf6M-1totA:
undetectable
1kf6N-1totA:
0.0		 1kf6M-1totA:
5.02
1kf6N-1totA:
10.79
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.
1wiw GLUCOSE-6-PHOSPHATE
ISOMERASE LIKE
PROTEIN

(Thermus
thermophilus) 		PF10432
(bact-PGI_C) 		4 ARG A  97
GLY A  70
ASP A  73
TYR A 114
 None
 1.36A 1kf6M-1wiwA:
0.0
1kf6N-1wiwA:
undetectable		 1kf6M-1wiwA:
20.49
1kf6N-1wiwA:
22.08
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.
1wiw GLUCOSE-6-PHOSPHATE
ISOMERASE LIKE
PROTEIN

(Thermus
thermophilus) 		PF10432
(bact-PGI_C) 		4 ARG A  97
GLY A  71
ASP A  73
TYR A 114
 None
 0.95A 1kf6M-1wiwA:
0.0
1kf6N-1wiwA:
undetectable		 1kf6M-1wiwA:
20.49
1kf6N-1wiwA:
22.08
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.
1xrs D-LYSINE
5,6-AMINOMUTASE
ALPHA SUBUNIT

(Acetoanaerobium
sticklandii) 		PF09043
(Lys-AminoMut_A) 		4 ARG A 217
GLY A 224
ASP A 221
TYR A 145
 None
 1.44A 1kf6M-1xrsA:
0.0
1kf6N-1xrsA:
undetectable		 1kf6M-1xrsA:
20.95
1kf6N-1xrsA:
19.21
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.
1yhu GIANT HEMOGLOBINS B
CHAIN
HEMOGLOBIN B2 CHAIN

(Riftia
pachyptila;
Riftia
pachyptila) 		PF00042
(Globin)
PF00042
(Globin) 		4 TRP D  20
ARG D  28
GLY B  70
ASP B  73
 None
 1.02A 1kf6M-1yhuD:
undetectable
1kf6N-1yhuD:
1.4		 1kf6M-1yhuD:
14.34
1kf6N-1yhuD:
18.91
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.
1zj9 PROBABLE
FERREDOXIN-DEPENDENT
NITRITE REDUCTASE
NIRA

(Mycobacterium
tuberculosis) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		4 ARG A 286
GLY A 162
ASP A 163
TYR A  69
 None
None
None
SRM  A 569 (-3.4A)
 1.43A 1kf6M-1zj9A:
undetectable
1kf6N-1zj9A:
undetectable		 1kf6M-1zj9A:
22.14
1kf6N-1zj9A:
16.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f6d GLUCOAMYLASE GLU1

(Saccharomycopsis
fibuligera) 		PF00723
(Glyco_hydro_15) 		4 ARG A 345
GLY A 359
ASP A 349
TYR A 331
 ACR  A 995 (-3.0A)
None
None
None
 1.25A 1kf6M-2f6dA:
undetectable
1kf6N-2f6dA:
undetectable		 1kf6M-2f6dA:
21.27
1kf6N-2f6dA:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j64 FICOLIN-3

(Homo sapiens) 		PF00147
(Fibrinogen_C) 		4 ARG A  58
GLY A 173
TYR A 177
TRP A 175
 None
 1.28A 1kf6M-2j64A:
undetectable
1kf6N-2j64A:
undetectable		 1kf6M-2j64A:
19.39
1kf6N-2j64A:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pge MENC

(Desulfotalea
psychrophila) 		PF13378
(MR_MLE_C) 		4 ARG A 151
GLY A 363
ASP A 362
TYR A 178
 None
 1.35A 1kf6M-2pgeA:
undetectable
1kf6N-2pgeA:
undetectable		 1kf6M-2pgeA:
20.75
1kf6N-2pgeA:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vn7 GLUCOAMYLASE

(Trichoderma
reesei) 		PF00686
(CBM_20)
PF00723
(Glyco_hydro_15) 		4 ARG A 309
GLY A 318
ASP A 313
TYR A 293
 BTB  A 620 (-3.6A)
None
None
None
 1.29A 1kf6M-2vn7A:
undetectable
1kf6N-2vn7A:
undetectable		 1kf6M-2vn7A:
21.94
1kf6N-2vn7A:
17.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2waa XYLAN ESTERASE,
PUTATIVE, AXE2C

(Cellvibrio
japonicus) 		PF13472
(Lipase_GDSL_2) 		4 ARG A 187
GLY A 211
ASP A 212
TYR A  38
 ACT  A1342 (-4.1A)
ACT  A1345 (-3.6A)
None
None
 1.48A 1kf6M-2waaA:
0.8
1kf6N-2waaA:
undetectable		 1kf6M-2waaA:
20.33
1kf6N-2waaA:
21.11
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.
2wnp FICOLIN-1

(Homo sapiens) 		PF00147
(Fibrinogen_C) 		4 ARG F 132
GLY F 247
TYR F 251
TRP F 249
 None
 1.31A 1kf6M-2wnpF:
undetectable
1kf6N-2wnpF:
undetectable		 1kf6M-2wnpF:
16.58
1kf6N-2wnpF:
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.
2xvg ALPHA XYLOSIDASE

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		4 TRP A 656
ARG A 738
GLY A 741
ASP A 688
 None
 1.41A 1kf6M-2xvgA:
undetectable
1kf6N-2xvgA:
undetectable		 1kf6M-2xvgA:
20.16
1kf6N-2xvgA:
13.74
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.
2ypd PROBABLE JMJC
DOMAIN-CONTAINING
HISTONE
DEMETHYLATION PROT
EIN 2C

(Homo sapiens) 		PF02373
(JmjC) 		4 TRP A2169
ARG A2379
GLY A2196
ASP A2456
 None
 1.26A 1kf6M-2ypdA:
undetectable
1kf6N-2ypdA:
undetectable		 1kf6M-2ypdA:
20.30
1kf6N-2ypdA:
20.84
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.
3aoe GLUTAMATE
DEHYDROGENASE

(Thermus
thermophilus) 		no annotation 4 TRP E  97
ARG E 397
GLY E 322
ASP E 341
 None
 1.23A 1kf6M-3aoeE:
undetectable
1kf6N-3aoeE:
undetectable		 1kf6M-3aoeE:
23.66
1kf6N-3aoeE:
19.14
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.
3cir FUMARATE REDUCTASE
IRON-SULFUR SUBUNIT

(Escherichia
coli) 		PF13085
(Fer2_3)
PF13183
(Fer4_8) 		4 GLY B  41
ASP B  45
TYR B  53
TRP B  55
 None
 0.28A 1kf6M-3cirB:
undetectable
1kf6N-3cirB:
35.5		 1kf6M-3cirB:
17.45
1kf6N-3cirB:
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.
3ckb SUSD

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB) 		4 ARG A 494
ASP A 498
TYR A 237
TRP A 164
 None
 1.42A 1kf6M-3ckbA:
2.5
1kf6N-3ckbA:
undetectable		 1kf6M-3ckbA:
20.62
1kf6N-3ckbA:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cm5 CELL DEATH-RELATED
NUCLEASE 4

(Caenorhabditis
elegans) 		PF00929
(RNase_T) 		4 TRP A 225
ARG A 226
ASP A 287
TYR A 298
 None
 1.11A 1kf6M-3cm5A:
undetectable
1kf6N-3cm5A:
undetectable		 1kf6M-3cm5A:
18.09
1kf6N-3cm5A:
22.71
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.
3cpr DIHYDRODIPICOLINATE
SYNTHETASE

(Corynebacterium
glutamicum) 		PF00701
(DHDPS) 		4 ARG A 228
GLY A  18
ASP A  52
TYR A 197
 None
 1.14A 1kf6M-3cprA:
0.1
1kf6N-3cprA:
undetectable		 1kf6M-3cprA:
19.77
1kf6N-3cprA:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d6b GLUTARYL-COA
DEHYDROGENASE

(Burkholderia
pseudomallei) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 GLY A 314
ASP A 318
TYR A 255
TRP A 259
 None
 0.92A 1kf6M-3d6bA:
undetectable
1kf6N-3d6bA:
undetectable		 1kf6M-3d6bA:
20.33
1kf6N-3d6bA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dja PROTEIN CT_858

(Chlamydia
trachomatis) 		PF03572
(Peptidase_S41) 		4 ARG A 204
GLY A 145
ASP A 146
TYR A 577
 None
 1.48A 1kf6M-3djaA:
undetectable
1kf6N-3djaA:
undetectable		 1kf6M-3djaA:
22.19
1kf6N-3djaA:
17.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dr2 EXPORTED
GLUCONOLACTONASE

(Xanthomonas
campestris) 		PF08450
(SGL) 		4 TRP A 222
ARG A 173
GLY A 142
ASP A 141
 None
 1.44A 1kf6M-3dr2A:
undetectable
1kf6N-3dr2A:
undetectable		 1kf6M-3dr2A:
18.89
1kf6N-3dr2A:
21.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eqa GLUCOAMYLASE

(Aspergillus
niger) 		PF00723
(Glyco_hydro_15) 		4 ARG A 329
GLY A 338
ASP A 333
TYR A 313
 GOL  A 801 (-3.3A)
None
None
None
 1.28A 1kf6M-3eqaA:
undetectable
1kf6N-3eqaA:
1.5		 1kf6M-3eqaA:
21.98
1kf6N-3eqaA:
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.
3ga7 ACETYL ESTERASE

(Salmonella
enterica) 		PF07859
(Abhydrolase_3) 		4 ARG A 206
GLY A 199
ASP A 267
TYR A 240
 None
 1.26A 1kf6M-3ga7A:
1.4
1kf6N-3ga7A:
undetectable		 1kf6M-3ga7A:
18.48
1kf6N-3ga7A:
21.53
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.
3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING

(Thermotoga
maritima) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 ARG A  13
GLY A  79
ASP A  76
TYR A  37
 None
 1.42A 1kf6M-3ip1A:
3.6
1kf6N-3ip1A:
undetectable		 1kf6M-3ip1A:
20.48
1kf6N-3ip1A:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kcx HYPOXIA-INDUCIBLE
FACTOR 1-ALPHA
INHIBITOR

(Homo sapiens) 		PF13621
(Cupin_8) 		4 ARG A  44
GLY A 266
ASP A 269
TRP A  27
 None
 1.38A 1kf6M-3kcxA:
undetectable
1kf6N-3kcxA:
undetectable		 1kf6M-3kcxA:
18.09
1kf6N-3kcxA:
19.71
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.
3ks7 PUTATIVE PUTATIVE
PNGASE F

(Bacteroides
fragilis) 		PF09112
(N-glycanase_N)
PF09113
(N-glycanase_C) 		4 ARG A 229
GLY A  30
ASP A  31
TYR A  79
 None
 1.17A 1kf6M-3ks7A:
undetectable
1kf6N-3ks7A:
undetectable		 1kf6M-3ks7A:
20.73
1kf6N-3ks7A:
22.77
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.
3ofl L1

(Alphapapillomavirus
7) 		PF00500
(Late_protein_L1) 		4 TRP A 448
ARG A  71
GLY A 198
ASP A 197
 None
 1.47A 1kf6M-3oflA:
undetectable
1kf6N-3oflA:
undetectable		 1kf6M-3oflA:
20.92
1kf6N-3oflA:
19.58
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.
3q9n COA BINDING PROTEIN
CONSENSUS ANKYRIN
REPEAT

(Escherichia
coli;
Escherichia
coli) 		PF13380
(CoA_binding_2)
PF12796
(Ank_2)
PF13637
(Ank_4) 		4 TRP A  88
ARG A  89
GLY C  68
ASP C  65
 None
 1.44A 1kf6M-3q9nA:
2.1
1kf6N-3q9nA:
undetectable		 1kf6M-3q9nA:
13.47
1kf6N-3q9nA:
17.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r3g THROMBIN HEAVY CHAIN

(Homo sapiens) 		PF00089
(Trypsin) 		4 ARG B 187
GLY B 223
ASP B 222
TYR B 225
 None
 1.44A 1kf6M-3r3gB:
undetectable
1kf6N-3r3gB:
undetectable		 1kf6M-3r3gB:
19.10
1kf6N-3r3gB:
21.53
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.
3r5e TRANSALDOLASE

(Corynebacterium
glutamicum) 		PF00923
(TAL_FSA) 		4 TRP A  15
ARG A 258
GLY A 100
ASP A 102
 None
 1.42A 1kf6M-3r5eA:
0.0
1kf6N-3r5eA:
undetectable		 1kf6M-3r5eA:
21.16
1kf6N-3r5eA:
21.94
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.
3ucq AMYLOSUCRASE

(Deinococcus
geothermalis) 		PF00128
(Alpha-amylase) 		4 ARG A 520
GLY A 138
ASP A 137
TYR A  97
 GOL  A 720 ( 3.1A)
GOL  A 710 (-3.7A)
GOL  A 720 (-2.6A)
GOL  A 710 (-4.4A)
 1.22A 1kf6M-3ucqA:
undetectable
1kf6N-3ucqA:
undetectable		 1kf6M-3ucqA:
24.01
1kf6N-3ucqA:
17.49
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.
3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE

(Bacteroides
thetaiotaomicron) 		PF07494
(Reg_prop)
PF07495
(Y_Y_Y) 		4 ARG A 687
GLY A  60
ASP A  57
TYR A 710
 None
 0.82A 1kf6M-3va6A:
undetectable
1kf6N-3va6A:
undetectable		 1kf6M-3va6A:
21.88
1kf6N-3va6A:
13.72
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.
3zuk ENDOPEPTIDASE,
PEPTIDASE FAMILY M13

(Mycobacterium
tuberculosis) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		4 TRP A 604
ARG A 628
GLY A 563
ASP A 564
 None
RDF  A1665 (-2.6A)
None
None
 1.32A 1kf6M-3zukA:
undetectable
1kf6N-3zukA:
undetectable		 1kf6M-3zukA:
22.24
1kf6N-3zukA:
16.37
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.
4alb PHENOLIC ACID
DECARBOXYLASE PADC

(Bacillus
subtilis) 		PF05870
(PA_decarbox) 		4 ARG A 157
GLY A 151
ASP A 154
TYR A 149
 None
 1.46A 1kf6M-4albA:
undetectable
1kf6N-4albA:
undetectable		 1kf6M-4albA:
14.55
1kf6N-4albA:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4arc LEUCINE--TRNA LIGASE

(Escherichia
coli) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
PF13603
(tRNA-synt_1_2) 		4 ARG A 643
GLY A 118
ASP A  60
TRP A  18
 None
 1.07A 1kf6M-4arcA:
undetectable
1kf6N-4arcA:
undetectable		 1kf6M-4arcA:
22.78
1kf6N-4arcA:
13.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4csd FUCOSE-BINDING
LECTIN PROTEIN

(Ralstonia
solanacearum) 		PF07938
(Fungal_lectin) 		4 TRP A  10
ARG A  17
GLY A  33
ASP A  32
 None
MFU  A 305 (-3.8A)
None
None
 1.41A 1kf6M-4csdA:
undetectable
1kf6N-4csdA:
undetectable		 1kf6M-4csdA:
18.92
1kf6N-4csdA:
21.11
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.
4hst GLUTARYL-7-AMINOCEPH
ALOSPORANIC ACID
ACYLASE BETA CHAIN

(Pseudomonas) 		PF01804
(Penicil_amidase) 		4 ARG B 340
GLY B 449
ASP B 450
TYR B 467
 None
 1.16A 1kf6M-4hstB:
undetectable
1kf6N-4hstB:
undetectable		 1kf6M-4hstB:
21.65
1kf6N-4hstB:
16.88
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.
4kcb ARABINAN
ENDO-1,5-ALPHA-L-ARA
BINOSIDASE

(uncultured
bacterium) 		PF04616
(Glyco_hydro_43) 		4 ARG A 279
GLY A 342
ASP A 339
TYR A 246
 None
 1.04A 1kf6M-4kcbA:
undetectable
1kf6N-4kcbA:
undetectable		 1kf6M-4kcbA:
20.35
1kf6N-4kcbA:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kry ACETYL ESTERASE

(Escherichia
coli) 		PF07859
(Abhydrolase_3) 		4 ARG A 206
GLY A 199
ASP A 267
TYR A 240
 PGE  A 401 (-3.2A)
PGE  A 401 (-3.1A)
PGE  A 401 ( 4.4A)
None
 1.31A 1kf6M-4kryA:
undetectable
1kf6N-4kryA:
undetectable		 1kf6M-4kryA:
19.42
1kf6N-4kryA:
23.03
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.
4o9x TCDB2, TCCC3

(Photorhabdus
luminescens) 		PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN) 		4 TRP A1981
GLY A1968
ASP A1965
TYR A2175
 None
 1.21A 1kf6M-4o9xA:
undetectable
1kf6N-4o9xA:
undetectable		 1kf6M-4o9xA:
14.72
1kf6N-4o9xA:
7.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pmh PECTINESTERASE

(Sitophilus
oryzae) 		PF01095
(Pectinesterase) 		4 TRP A 292
GLY A 231
ASP A 258
TYR A 267
 None
 1.30A 1kf6M-4pmhA:
undetectable
1kf6N-4pmhA:
undetectable		 1kf6M-4pmhA:
19.71
1kf6N-4pmhA:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r9j FICOLIN-2

(Homo sapiens) 		no annotation 4 ARG G 123
GLY G 238
TYR G 242
TRP G 240
 None
 1.35A 1kf6M-4r9jG:
undetectable
1kf6N-4r9jG:
undetectable		 1kf6M-4r9jG:
16.07
1kf6N-4r9jG:
21.05
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.
4w8o LUCIFERASE-LIKE
ENZYMEAMP-COA-LIGASE

(Zophobas
atratus) 		PF00501
(AMP-binding) 		4 ARG A 236
GLY A 241
ASP A 240
TYR A  48
 None
 1.25A 1kf6M-4w8oA:
undetectable
1kf6N-4w8oA:
undetectable		 1kf6M-4w8oA:
18.87
1kf6N-4w8oA:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4w9u ACYL-COA
DEHYDROGENASE

(Brucella
abortus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 GLY A 313
ASP A 317
TYR A 254
TRP A 258
 None
 0.98A 1kf6M-4w9uA:
undetectable
1kf6N-4w9uA:
undetectable		 1kf6M-4w9uA:
21.04
1kf6N-4w9uA:
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.
4wj3 GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Pseudomonas
aeruginosa) 		PF01425
(Amidase) 		4 ARG A 178
GLY A 174
ASP A 172
TYR A 307
 None
 1.42A 1kf6M-4wj3A:
undetectable
1kf6N-4wj3A:
1.4		 1kf6M-4wj3A:
21.95
1kf6N-4wj3A:
19.75
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.
4y9v PARTICLE-ASSOCIATED
LYASE

(Acinetobacter
virus AP22) 		no annotation 4 ARG A 357
GLY A 410
ASP A 409
TYR A 257
 None
49T  A 815 ( 4.5A)
None
None
 1.45A 1kf6M-4y9vA:
undetectable
1kf6N-4y9vA:
undetectable		 1kf6M-4y9vA:
21.58
1kf6N-4y9vA:
16.77
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.
5ah5 LEUCINE--TRNA LIGASE

(Agrobacterium
tumefaciens) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
PF13603
(tRNA-synt_1_2) 		4 ARG A 596
GLY A 116
ASP A  58
TRP A  16
 None
 1.20A 1kf6M-5ah5A:
undetectable
1kf6N-5ah5A:
2.8		 1kf6M-5ah5A:
22.33
1kf6N-5ah5A:
15.14
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.
5all SOLUBLE EPOXIDE
HYDROLASE

(Homo sapiens) 		PF00561
(Abhydrolase_1)
PF13419
(HAD_2) 		4 GLY A 266
ASP A 335
TYR A 296
TRP A 465
 None
II6  A1552 ( 3.0A)
None
None
 1.34A 1kf6M-5allA:
undetectable
1kf6N-5allA:
undetectable		 1kf6M-5allA:
22.80
1kf6N-5allA:
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.
5cio PYRROLOQUINOLINE
QUINONE BIOSYNTHESIS
PROTEIN PQQF

(Serratia sp.
FS14) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		4 TRP A 373
ARG A 261
GLY A 257
ASP A 371
 None
 1.05A 1kf6M-5cioA:
undetectable
1kf6N-5cioA:
undetectable		 1kf6M-5cioA:
21.50
1kf6N-5cioA:
14.21
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.
5dyn PUTATIVE PEPTIDASE

(Bacteroides
fragilis) 		PF03415
(Peptidase_C11) 		4 GLY B 209
ASP B 178
TYR B 237
TRP B 252
 NA  A 403 ( 4.6A)
None
None
None
 1.22A 1kf6M-5dynB:
undetectable
1kf6N-5dynB:
undetectable		 1kf6M-5dynB:
17.92
1kf6N-5dynB:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ek8 LIPOXYGENASE

(Cyanothece sp.
PCC 8801) 		PF00305
(Lipoxygenase) 		4 ARG A  78
GLY A 145
ASP A 146
TYR A 153
 None
 1.35A 1kf6M-5ek8A:
undetectable
1kf6N-5ek8A:
undetectable		 1kf6M-5ek8A:
21.19
1kf6N-5ek8A:
17.36
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.
5fq6 SUSC/RAGA FAMILY
TONB-LINKED OUTER
MEMBRANE PROTEIN

(Bacteroides
thetaiotaomicron) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 GLY B 890
ASP B 893
TYR B 886
TRP B 887
 None
 1.50A 1kf6M-5fq6B:
undetectable
1kf6N-5fq6B:
undetectable		 1kf6M-5fq6B:
21.50
1kf6N-5fq6B:
13.12
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.
5fzo PROBABLE JMJC
DOMAIN-CONTAINING
HISTONE
DEMETHYLATION PROT
EIN 2C

(Homo sapiens) 		PF02373
(JmjC) 		4 TRP A2169
ARG A2379
GLY A2196
ASP A2456
 None
 1.21A 1kf6M-5fzoA:
undetectable
1kf6N-5fzoA:
undetectable		 1kf6M-5fzoA:
19.83
1kf6N-5fzoA:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fzo PROBABLE JMJC
DOMAIN-CONTAINING
HISTONE
DEMETHYLATION PROT
EIN 2C

(Homo sapiens) 		PF02373
(JmjC) 		4 TRP A2169
ARG A2379
GLY A2455
ASP A2456
 None
 1.10A 1kf6M-5fzoA:
undetectable
1kf6N-5fzoA:
undetectable		 1kf6M-5fzoA:
19.83
1kf6N-5fzoA:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h5j FERREDOXIN--NADP
REDUCTASE

(Zea mays) 		PF00175
(NAD_binding_1) 		4 ARG A 182
GLY A 110
ASP A 103
TYR A  67
 None
 0.79A 1kf6M-5h5jA:
undetectable
1kf6N-5h5jA:
undetectable		 1kf6M-5h5jA:
19.57
1kf6N-5h5jA:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ho9 EXTRACELLULAR
ARABINANASE

(Geobacillus
stearothermophilus) 		PF04616
(Glyco_hydro_43)
PF16369
(GH43_C) 		4 TRP A 221
GLY A 292
ASP A 288
TYR A 253
 None
 1.08A 1kf6M-5ho9A:
undetectable
1kf6N-5ho9A:
undetectable		 1kf6M-5ho9A:
22.35
1kf6N-5ho9A:
16.88
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.
5hp6 EXTRACELLULAR
ARABINANASE

(Geobacillus
stearothermophilus) 		PF04616
(Glyco_hydro_43)
PF13385
(Laminin_G_3)
PF16369
(GH43_C) 		4 TRP A 221
GLY A 292
ASP A 288
TYR A 253
 None
 1.05A 1kf6M-5hp6A:
undetectable
1kf6N-5hp6A:
undetectable		 1kf6M-5hp6A:
21.18
1kf6N-5hp6A:
14.20
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.
5iml NANOBODY

(Camelidae) 		PF07686
(V-set) 		4 ARG B  71
GLY B  34
TYR B 111
TRP B 100
 None
 1.39A 1kf6M-5imlB:
undetectable
1kf6N-5imlB:
undetectable		 1kf6M-5imlB:
13.71
1kf6N-5imlB:
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.
5j5d 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE

(Mycobacterium
tuberculosis) 		PF00701
(DHDPS) 		4 ARG A 223
GLY A  13
ASP A  47
TYR A 192
 None
 1.17A 1kf6M-5j5dA:
0.4
1kf6N-5j5dA:
undetectable		 1kf6M-5j5dA:
19.38
1kf6N-5j5dA:
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.
5jm7 AEROBACTIN SYNTHASE
IUCA

(Klebsiella
pneumoniae) 		PF04183
(IucA_IucC)
PF06276
(FhuF) 		4 TRP A 126
ARG A 130
GLY A 372
ASP A 371
 None
 0.91A 1kf6M-5jm7A:
undetectable
1kf6N-5jm7A:
undetectable		 1kf6M-5jm7A:
21.61
1kf6N-5jm7A:
16.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jou ALPHA-XYLOSIDASE
BOGH31A

(Bacteroides
ovatus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		4 TRP A 627
ARG A 707
GLY A 710
ASP A 659
 None
 1.49A 1kf6M-5jouA:
0.0
1kf6N-5jouA:
undetectable		 1kf6M-5jouA:
20.41
1kf6N-5jouA:
14.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l1t PENTALENOLACTONE
SYNTHASE

(Streptomyces
arenae) 		PF00067
(p450) 		4 ARG A 250
GLY A  16
ASP A  13
TYR A 316
 None
 0.81A 1kf6M-5l1tA:
undetectable
1kf6N-5l1tA:
undetectable		 1kf6M-5l1tA:
23.85
1kf6N-5l1tA:
21.27
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.
5lh9 OMEGA TRANSAMINASE

(Pseudomonas sp.) 		PF00202
(Aminotran_3) 		4 TRP A 182
ARG A 185
GLY A 370
ASP A 382
 None
 1.42A 1kf6M-5lh9A:
undetectable
1kf6N-5lh9A:
undetectable		 1kf6M-5lh9A:
22.60
1kf6N-5lh9A:
21.52
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.
5lun 2-OXOGLUTARATE-DEPEN
DENT
ETHYLENE/SUCCINATE-F
ORMING ENZYME

(Pseudomonas
savastanoi) 		PF03171
(2OG-FeII_Oxy)
PF14226
(DIOX_N) 		4 ARG A 108
GLY A 166
ASP A 165
TRP A 167
 None
 1.30A 1kf6M-5lunA:
undetectable
1kf6N-5lunA:
undetectable		 1kf6M-5lunA:
21.76
1kf6N-5lunA:
20.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oat SERINE/THREONINE-PRO
TEIN KINASE PINK1,
MITOCHONDRIAL-LIKE
PROTEIN

(Tribolium
castaneum) 		no annotation 4 ARG A 216
GLY A 383
ASP A 381
TYR A 406
 None
 1.21A 1kf6M-5oatA:
undetectable
1kf6N-5oatA:
undetectable		 1kf6M-5oatA:
19.64
1kf6N-5oatA:
20.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tj3 ALKALINE PHOSPHATASE
PAFA

(Elizabethkingia
meningoseptica) 		PF01663
(Phosphodiest) 		4 ARG A 406
GLY A 465
ASP A 466
TYR A 459
 None
 1.13A 1kf6M-5tj3A:
undetectable
1kf6N-5tj3A:
undetectable		 1kf6M-5tj3A:
19.94
1kf6N-5tj3A:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5to3 PROTHROMBIN,THROMBOM
ODULIN

(Homo sapiens) 		PF00089
(Trypsin)
PF09064
(Tme5_EGF_like) 		4 ARG B 212
GLY B 250
ASP B 249
TYR B 252
 None
 1.46A 1kf6M-5to3B:
undetectable
1kf6N-5to3B:
undetectable		 1kf6M-5to3B:
20.26
1kf6N-5to3B:
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.
5ufh LACI-TYPE
TRANSCRIPTIONAL
REGULATOR

(Bifidobacterium
animalis) 		PF13377
(Peripla_BP_3) 		4 ARG A 206
GLY A 147
ASP A 148
TYR A 308
 GOL  A 401 (-2.7A)
None
None
None
 1.48A 1kf6M-5ufhA:
undetectable
1kf6N-5ufhA:
undetectable		 1kf6M-5ufhA:
20.72
1kf6N-5ufhA:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uro PREDICTED PROTEIN

(Trichoderma
reesei) 		PF00561
(Abhydrolase_1) 		4 GLY A  45
ASP A 116
TYR A  75
TRP A 251
 None
 1.26A 1kf6M-5uroA:
undetectable
1kf6N-5uroA:
undetectable		 1kf6M-5uroA:
21.36
1kf6N-5uroA:
19.58
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.
5xb7 BETA-GALACTOSIDASE

(Bifidobacterium
animalis) 		no annotation 4 ARG A 300
GLY A 295
ASP A 297
TYR A 250
 None
 1.38A 1kf6M-5xb7A:
undetectable
1kf6N-5xb7A:
undetectable		 1kf6M-5xb7A:
21.27
1kf6N-5xb7A:
16.03
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.
6bwe PUTATIVE FIMBRIAL
ASSOCIATED
SORTASE-LIKE PROTEIN

(Corynebacterium
diphtheriae) 		no annotation 4 ARG A 108
GLY A 128
ASP A 130
TYR A  94
 None
 1.48A 1kf6M-6bweA:
undetectable
1kf6N-6bweA:
undetectable		 1kf6M-6bweA:
undetectable
1kf6N-6bweA:
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.
6bwe PUTATIVE FIMBRIAL
ASSOCIATED
SORTASE-LIKE PROTEIN

(Corynebacterium
diphtheriae) 		no annotation 4 ARG A 108
GLY A 128
ASP A 130
TYR A  97
 None
 1.32A 1kf6M-6bweA:
undetectable
1kf6N-6bweA:
undetectable		 1kf6M-6bweA:
undetectable
1kf6N-6bweA:
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.
6f0k FE-S-CLUSTER-CONTAIN
ING HYDROGENASE

(Rhodothermus
marinus) 		no annotation 4 ARG B 575
GLY B 359
ASP B 252
TRP B 711
 None
 1.05A 1kf6M-6f0kB:
undetectable
1kf6N-6f0kB:
undetectable		 1kf6M-6f0kB:
undetectable
1kf6N-6f0kB:
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.
6fg9 -

(-) 		no annotation 4 TRP A 657
GLY A 551
ASP A 549
TYR A 471
 None
 1.16A 1kf6M-6fg9A:
undetectable
1kf6N-6fg9A:
undetectable		 1kf6M-6fg9A:
undetectable
1kf6N-6fg9A:
undetectable