SIMILAR PATTERNS OF AMINO ACIDS FOR 1MJQ_I_SAMI199

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.
1b25 PROTEIN
(FORMALDEHYDE
FERREDOXIN
OXIDOREDUCTASE)

(Pyrococcus
furiosus) 		PF01314
(AFOR_C)
PF02730
(AFOR_N) 		5 GLU A 351
ARG A 355
HIS A 402
HIS A 407
ALA A 405
 None
 1.07A 1mjqI-1b25A:
undetectable
1mjqJ-1b25A:
undetectable		 1mjqI-1b25A:
11.31
1mjqJ-1b25A:
11.31
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.
1brw PROTEIN (PYRIMIDINE
NUCLEOSIDE
PHOSPHORYLASE)

(Geobacillus
stearothermophilus) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		5 GLU A 297
ARG A 293
LEU A 273
GLU A 270
HIS A 266
 None
 0.77A 1mjqI-1brwA:
undetectable
1mjqJ-1brwA:
undetectable		 1mjqI-1brwA:
15.40
1mjqJ-1brwA:
15.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1c7t BETA-N-ACETYLHEXOSAM
INIDASE

(Serratia
marcescens) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b)
PF03173
(CHB_HEX)
PF03174
(CHB_HEX_C) 		5 ARG A 454
LEU A 409
GLU A 405
HIS A 401
GLY A 416
 SO4  A2001 (-3.8A)
None
None
None
None
 1.23A 1mjqI-1c7tA:
undetectable
1mjqJ-1c7tA:
undetectable		 1mjqI-1c7tA:
8.93
1mjqJ-1c7tA:
8.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ems NIT-FRAGILE
HISTIDINE TRIAD
FUSION PROTEIN

(Caenorhabditis
elegans) 		PF00795
(CN_hydrolase)
PF01230
(HIT) 		5 LEU A 346
GLU A 350
HIS A 288
ALA A 352
PHE A 355
 None
 1.36A 1mjqI-1emsA:
undetectable
1mjqJ-1emsA:
undetectable		 1mjqI-1emsA:
12.44
1mjqJ-1emsA:
12.44
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.
1eqw CU,ZN SUPEROXIDE
DISMUTASE

(Salmonella
enterica) 		PF00080
(Sod_Cu) 		5 LEU A  97
HIS A  44
PRO A  72
HIS A 118
GLY A 120
 None
CU  A 502 (-3.3A)
None
CU  A 502 (-3.1A)
None
 1.15A 1mjqI-1eqwA:
undetectable
1mjqJ-1eqwA:
undetectable		 1mjqI-1eqwA:
20.41
1mjqJ-1eqwA:
20.41
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.
1ge7 PEPTIDYL-LYS
METALLOENDOPEPTIDASE

(Grifola
frondosa) 		PF14521
(Aspzincin_M35) 		5 GLU A 118
GLU A 157
HIS A 156
HIS A  59
GLY A 126
 ZN  A 200 ( 4.2A)
None
None
None
None
 1.10A 1mjqI-1ge7A:
undetectable
1mjqJ-1ge7A:
undetectable		 1mjqI-1ge7A:
20.00
1mjqJ-1ge7A:
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.
1ge7 PEPTIDYL-LYS
METALLOENDOPEPTIDASE

(Grifola
frondosa) 		PF14521
(Aspzincin_M35) 		5 GLU A 118
GLU A 157
HIS A 156
HIS A  59
GLY A 127
 ZN  A 200 ( 4.2A)
None
None
None
None
 1.11A 1mjqI-1ge7A:
undetectable
1mjqJ-1ge7A:
undetectable		 1mjqI-1ge7A:
20.00
1mjqJ-1ge7A:
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.
1hdi PHOSPHOGLYCERATE
KINASE

(Sus scrofa) 		PF00162
(PGK) 		5 GLU A 343
GLU A 293
ALA A 348
PHE A 342
GLY A 350
 AMP  A 417 (-2.8A)
None
None
None
None
 1.18A 1mjqI-1hdiA:
undetectable
1mjqJ-1hdiA:
undetectable		 1mjqI-1hdiA:
13.77
1mjqJ-1hdiA:
13.77
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.
1l5j ACONITATE HYDRATASE
2

(Escherichia
coli) 		PF00330
(Aconitase)
PF06434
(Aconitase_2_N)
PF11791
(Aconitase_B_N) 		5 GLU A 582
ARG A 535
LEU A 533
ALA A 664
GLY A 381
 None
 1.31A 1mjqI-1l5jA:
undetectable
1mjqJ-1l5jA:
undetectable		 1mjqI-1l5jA:
8.51
1mjqJ-1l5jA:
8.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l9g CONSERVED
HYPOTHETICAL PROTEIN

(Thermotoga
maritima) 		PF03167
(UDG) 		5 GLU A 100
PRO A  22
HIS A 107
ALA A 104
GLY A 106
 None
None
None
SF4  A 201 ( 4.2A)
None
 0.87A 1mjqI-1l9gA:
undetectable
1mjqJ-1l9gA:
undetectable		 1mjqI-1l9gA:
17.59
1mjqJ-1l9gA:
17.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mjl METHIONINE REPRESSOR
PROTEIN METJ

(Escherichia
coli) 		PF01340
(MetJ) 		7 GLU A  39
ARG A  43
LEU A  56
GLU A  59
HIS A  63
LEU A  70
PRO A  71
 None
None
None
None
SAM  A 200 ( 2.9A)
None
None
 0.32A 1mjqI-1mjlA:
13.8
1mjqJ-1mjlA:
15.5		 1mjqI-1mjlA:
100.00
1mjqJ-1mjlA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mjl METHIONINE REPRESSOR
PROTEIN METJ

(Escherichia
coli) 		PF01340
(MetJ) 		5 GLU A  39
ARG A  43
LEU A  70
PRO A  71
ALA A  60
 None
 1.29A 1mjqI-1mjlA:
13.8
1mjqJ-1mjlA:
15.5		 1mjqI-1mjlA:
100.00
1mjqJ-1mjlA:
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.
1npc NEUTRAL PROTEASE

(Bacillus cereus) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		5 LEU A 245
HIS A 251
ALA A 313
PHE A 311
GLY A 315
 None
 1.29A 1mjqI-1npcA:
undetectable
1mjqJ-1npcA:
undetectable		 1mjqI-1npcA:
15.30
1mjqJ-1npcA:
15.30
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.
1o5w AMINE OXIDASE
[FLAVIN-CONTAINING]
A

(Rattus
norvegicus) 		PF01593
(Amino_oxidase) 		5 ARG A  79
LEU A  80
GLU A 453
ALA A 448
GLY A 443
 None
None
None
FAD  A 652 (-3.6A)
FAD  A 652 (-4.1A)
 1.37A 1mjqI-1o5wA:
undetectable
1mjqJ-1o5wA:
undetectable		 1mjqI-1o5wA:
11.01
1mjqJ-1o5wA:
11.01
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.
1php 3-PHOSPHOGLYCERATE
KINASE

(Geobacillus
stearothermophilus) 		PF00162
(PGK) 		5 GLU A 323
HIS A 329
ALA A 328
PHE A 322
GLY A 330
 ADP  A 396 (-2.8A)
None
None
None
None
 1.37A 1mjqI-1phpA:
undetectable
1mjqJ-1phpA:
undetectable		 1mjqI-1phpA:
17.88
1mjqJ-1phpA:
17.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v7v CHITOBIOSE
PHOSPHORYLASE

(Vibrio
proteolyticus) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		5 GLU A 595
LEU A 656
GLU A 653
ALA A 597
GLY A 552
 None
 1.22A 1mjqI-1v7vA:
undetectable
1mjqJ-1v7vA:
undetectable		 1mjqI-1v7vA:
10.79
1mjqJ-1v7vA:
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.
1vra ARGININE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
ARGJ

(Bacillus
halodurans) 		PF01960
(ArgJ) 		5 GLU B 290
LEU B 288
PRO B 377
ALA B 279
GLY B 282
 None
 1.25A 1mjqI-1vraB:
undetectable
1mjqJ-1vraB:
undetectable		 1mjqI-1vraB:
20.00
1mjqJ-1vraB:
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.
1xdp POLYPHOSPHATE KINASE

(Escherichia
coli) 		PF02503
(PP_kinase)
PF13089
(PP_kinase_N)
PF13090
(PP_kinase_C) 		5 GLU A 462
ARG A 381
LEU A 354
GLU A 351
ALA A 465
 None
 1.09A 1mjqI-1xdpA:
undetectable
1mjqJ-1xdpA:
undetectable		 1mjqI-1xdpA:
9.68
1mjqJ-1xdpA:
9.68
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.
1yc9 MULTIDRUG RESISTANCE
PROTEIN

(Vibrio cholerae) 		PF02321
(OEP) 		5 GLU A 170
ARG A 310
GLU A 177
ALA A 101
GLY A 103
 None
 1.10A 1mjqI-1yc9A:
undetectable
1mjqJ-1yc9A:
undetectable		 1mjqI-1yc9A:
13.62
1mjqJ-1yc9A:
13.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ysj PROTEIN YXEP

(Bacillus
subtilis) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 HIS A 350
LEU A  77
PRO A  78
ALA A  97
GLY A  99
 NI  A 382 (-3.4A)
None
None
None
None
 1.36A 1mjqI-1ysjA:
undetectable
1mjqJ-1ysjA:
undetectable		 1mjqI-1ysjA:
15.09
1mjqJ-1ysjA:
15.09
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.
1z5a TYPE II DNA
TOPOISOMERASE VI
SUBUNIT B

(Sulfolobus
shibatae) 		PF02518
(HATPase_c)
PF05833
(FbpA)
PF09239
(Topo-VIb_trans) 		5 ARG A 193
LEU A 371
HIS A 414
PRO A 378
GLY A 318
 None
 1.26A 1mjqI-1z5aA:
undetectable
1mjqJ-1z5aA:
undetectable		 1mjqI-1z5aA:
13.50
1mjqJ-1z5aA:
13.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2aps PROTEIN (CU,ZN
SUPEROXIDE
DISMUTASE)

(Actinobacillus
pleuropneumoniae) 		PF00080
(Sod_Cu) 		5 GLU A  68
PRO A  69
HIS A  62
ALA A  82
GLY A  84
 None
None
CU  A 402 ( 3.4A)
None
None
 1.27A 1mjqI-2apsA:
undetectable
1mjqJ-2apsA:
undetectable		 1mjqI-2apsA:
18.87
1mjqJ-2apsA:
18.87
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.
2aqt SUPEROXIDE DISMUTASE
[CU-ZN]

(Neisseria
meningitidis) 		no annotation 5 GLU C  87
PRO C  88
HIS C  81
ALA C 101
GLY C 103
 None
None
CU1  C 200 (-3.3A)
None
None
 1.31A 1mjqI-2aqtC:
undetectable
1mjqJ-2aqtC:
undetectable		 1mjqI-2aqtC:
20.00
1mjqJ-2aqtC:
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.
2b3x IRON-RESPONSIVE
ELEMENT BINDING
PROTEIN 1

(Homo sapiens) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		6 HIS A 804
LEU A 808
PRO A 815
ALA A 784
PHE A 788
GLY A 786
 None
 1.20A 1mjqI-2b3xA:
undetectable
1mjqJ-2b3xA:
undetectable		 1mjqI-2b3xA:
7.63
1mjqJ-2b3xA:
7.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cwd LOW MOLECULAR WEIGHT
PHOSPHOTYROSINE
PROTEIN PHOSPHATASE

(Thermus
thermophilus) 		PF01451
(LMWPc) 		5 LEU A  88
LEU A 139
ALA A  21
PHE A  25
GLY A  23
 None
 0.98A 1mjqI-2cwdA:
undetectable
1mjqJ-2cwdA:
undetectable		 1mjqI-2cwdA:
18.75
1mjqJ-2cwdA:
18.75
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.
2ejw HOMOSERINE
DEHYDROGENASE

(Thermus
thermophilus) 		PF00742
(Homoserine_dh)
PF03447
(NAD_binding_3) 		5 GLU A  72
LEU A  94
LEU A  64
ALA A   7
GLY A  40
 None
 1.31A 1mjqI-2ejwA:
undetectable
1mjqJ-2ejwA:
undetectable		 1mjqI-2ejwA:
14.15
1mjqJ-2ejwA:
14.15
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.
2ghs AGR_C_1268P

(Agrobacterium
fabrum) 		PF08450
(SGL) 		5 GLU A  40
LEU A  38
GLU A 281
HIS A 294
GLY A 258
 EDO  A 317 (-3.9A)
None
None
None
None
 1.14A 1mjqI-2ghsA:
undetectable
1mjqJ-2ghsA:
undetectable		 1mjqI-2ghsA:
16.13
1mjqJ-2ghsA:
16.13
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.
2ghs AGR_C_1268P

(Agrobacterium
fabrum) 		PF08450
(SGL) 		5 GLU A 281
LEU A  37
HIS A 294
LEU A 283
GLY A 237
 None
 1.23A 1mjqI-2ghsA:
undetectable
1mjqJ-2ghsA:
undetectable		 1mjqI-2ghsA:
16.13
1mjqJ-2ghsA:
16.13
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.
2gou OXIDOREDUCTASE,
FMN-BINDING

(Shewanella
oneidensis) 		PF00724
(Oxidored_FMN) 		5 ARG A  29
LEU A 357
HIS A 344
LEU A 349
GLY A 322
 None
None
None
FMN  A4401 ( 3.8A)
FMN  A4401 (-3.4A)
 0.97A 1mjqI-2gouA:
undetectable
1mjqJ-2gouA:
undetectable		 1mjqI-2gouA:
14.25
1mjqJ-2gouA:
14.25
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.
2i7t CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
73 KDA SUBUNIT

(Homo sapiens) 		PF00753
(Lactamase_B)
PF07521
(RMMBL)
PF10996
(Beta-Casp) 		5 GLU A 248
HIS A 158
HIS A 396
ALA A 395
PHE A 393
 None
ZN  A 482 ( 3.3A)
SO4  A 491 (-4.0A)
None
None
 1.34A 1mjqI-2i7tA:
undetectable
1mjqJ-2i7tA:
undetectable		 1mjqI-2i7tA:
12.28
1mjqJ-2i7tA:
12.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2lw1 ABC TRANSPORTER
ATP-BINDING PROTEIN
UUP

(Escherichia
coli) 		PF16326
(ABC_tran_CTD) 		5 GLU A 569
LEU A 628
LEU A 577
PRO A 574
ALA A 621
 None
 1.28A 1mjqI-2lw1A:
undetectable
1mjqJ-2lw1A:
undetectable		 1mjqI-2lw1A:
27.59
1mjqJ-2lw1A:
27.59
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.
2ory LIPASE

(Photobacterium
sp. M37) 		PF01764
(Lipase_3) 		5 LEU A 293
HIS A 312
ALA A 207
PHE A 206
GLY A 177
 None
 1.31A 1mjqI-2oryA:
undetectable
1mjqJ-2oryA:
undetectable		 1mjqI-2oryA:
17.69
1mjqJ-2oryA:
17.69
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.
2p4q 6-PHOSPHOGLUCONATE
DEHYDROGENASE,
DECARBOXYLATING 1

(Saccharomyces
cerevisiae) 		PF00393
(6PGD)
PF03446
(NAD_binding_2) 		5 GLU A  45
LEU A  19
LEU A  10
ALA A  30
GLY A  53
 None
 1.23A 1mjqI-2p4qA:
undetectable
1mjqJ-2p4qA:
undetectable		 1mjqI-2p4qA:
12.32
1mjqJ-2p4qA:
12.32
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.
2paa PHOSPHOGLYCERATE
KINASE, TESTIS
SPECIFIC

(Mus musculus) 		PF00162
(PGK) 		5 GLU A 343
GLU A 293
ALA A 348
PHE A 342
GLY A 350
 ATP  A 500 (-2.9A)
None
None
None
None
 1.20A 1mjqI-2paaA:
undetectable
1mjqJ-2paaA:
undetectable		 1mjqI-2paaA:
13.86
1mjqJ-2paaA:
13.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE

(Schistosoma
mansoni) 		PF00462
(Glutaredoxin)
PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ARG A 515
GLU A 176
ALA A 178
PHE A 181
GLY A 182
 None
 1.32A 1mjqI-2v6oA:
undetectable
1mjqJ-2v6oA:
undetectable		 1mjqI-2v6oA:
11.65
1mjqJ-2v6oA:
11.65
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.
2wuq BETA-LACTAMASE
REGULATORY PROTEIN
BLAB

(Streptomyces
cacaoi) 		PF13354
(Beta-lactamase2) 		5 ARG A 304
LEU A  11
GLU A  10
HIS A  16
GLY A  19
 None
 1.14A 1mjqI-2wuqA:
undetectable
1mjqJ-2wuqA:
undetectable		 1mjqI-2wuqA:
14.29
1mjqJ-2wuqA:
14.29
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.
2x1i 4-ALPHA-GLUCANOTRANS
FERASE

(Thermus
brockianus) 		PF02446
(Glyco_hydro_77) 		5 LEU A  77
PRO A  76
ALA A 111
PHE A 115
GLY A 114
 None
 1.35A 1mjqI-2x1iA:
undetectable
1mjqJ-2x1iA:
undetectable		 1mjqI-2x1iA:
11.45
1mjqJ-2x1iA:
11.45
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.
2xlr FLAVIN-CONTAINING
MONOOXYGENASE

(Methylophaga
aminisulfidivorans) 		PF00743
(FMO-like) 		5 LEU A 286
HIS A 281
LEU A 292
HIS A 169
GLY A 319
 None
None
None
None
FAD  A 500 ( 4.7A)
 1.36A 1mjqI-2xlrA:
undetectable
1mjqJ-2xlrA:
undetectable		 1mjqI-2xlrA:
13.11
1mjqJ-2xlrA:
13.11
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.
2y3a PHOSPHATIDYLINOSITOL
-4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT BETA ISOFORM

(Mus musculus) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd)
PF02192
(PI3K_p85B) 		5 GLU A 599
GLU A 602
LEU A 603
PRO A 568
GLY A 619
 None
 1.32A 1mjqI-2y3aA:
undetectable
1mjqJ-2y3aA:
undetectable		 1mjqI-2y3aA:
7.52
1mjqJ-2y3aA:
7.52
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.
2y4l MANNOSYLGLYCERATE
SYNTHASE

(Rhodothermus
marinus) 		no annotation 5 GLU A  90
GLU A  31
LEU A  33
ALA A  83
GLY A  79
 None
None
None
None
GDP  A 401 ( 3.8A)
 1.28A 1mjqI-2y4lA:
undetectable
1mjqJ-2y4lA:
undetectable		 1mjqI-2y4lA:
13.03
1mjqJ-2y4lA:
13.03
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.
2yp2 HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		6 GLU A  89
ARG A 269
GLU A 396
ALA A 113
PHE A  87
GLY A 116
 None
 1.40A 1mjqI-2yp2A:
undetectable
1mjqJ-2yp2A:
undetectable		 1mjqI-2yp2A:
11.02
1mjqJ-2yp2A:
11.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zf8 COMPONENT OF
SODIUM-DRIVEN POLAR
FLAGELLAR MOTOR

(Vibrio
alginolyticus) 		PF00691
(OmpA) 		5 HIS A  29
LEU A 132
PRO A 114
ALA A  37
GLY A  35
 None
 0.93A 1mjqI-2zf8A:
undetectable
1mjqJ-2zf8A:
undetectable		 1mjqI-2zf8A:
18.57
1mjqJ-2zf8A:
18.57
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.
3aeu LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N

(Rhodobacter
capsulatus) 		PF00148
(Oxidored_nitro) 		5 GLU A 154
LEU A 158
LEU A 221
HIS A 330
PHE A 225
 None
 1.34A 1mjqI-3aeuA:
undetectable
1mjqJ-3aeuA:
undetectable		 1mjqI-3aeuA:
14.11
1mjqJ-3aeuA:
14.11
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.
3c4q PREDICTED
GLYCOSYLTRANSFERASES

(Corynebacterium
glutamicum) 		PF00534
(Glycos_transf_1)
PF13439
(Glyco_transf_4) 		5 LEU A  81
PRO A  72
ALA A  87
PHE A  88
GLY A  90
 None
 0.99A 1mjqI-3c4qA:
undetectable
1mjqJ-3c4qA:
undetectable		 1mjqI-3c4qA:
13.37
1mjqJ-3c4qA:
13.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cpi RAB GDP-DISSOCIATION
INHIBITOR

(Saccharomyces
cerevisiae) 		PF00996
(GDI) 		5 ARG G 434
LEU G 411
PRO G 400
ALA G 292
GLY G  16
 None
 1.28A 1mjqI-3cpiG:
undetectable
1mjqJ-3cpiG:
undetectable		 1mjqI-3cpiG:
11.73
1mjqJ-3cpiG:
11.73
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.
3dcp HISTIDINOL-PHOSPHATA
SE

(Listeria
monocytogenes) 		PF02811
(PHP)
PF13263
(PHP_C) 		5 GLU A  56
HIS A  40
PRO A  13
HIS A 123
PHE A 136
 None
ZN  A 301 (-3.5A)
None
FE  A 310 (-3.3A)
None
 0.91A 1mjqI-3dcpA:
undetectable
1mjqJ-3dcpA:
undetectable		 1mjqI-3dcpA:
16.86
1mjqJ-3dcpA:
16.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dkh LACCASE-1

(Melanocarpus
albomyces) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 LEU A 333
HIS A 237
PRO A 430
ALA A 268
GLY A 270
 None
 1.36A 1mjqI-3dkhA:
undetectable
1mjqJ-3dkhA:
undetectable		 1mjqI-3dkhA:
9.96
1mjqJ-3dkhA:
9.96
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.
3e9y ACETOLACTATE
SYNTHASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 LEU A 189
PRO A 249
ALA A 151
PHE A 149
GLY A 153
 None
 1.22A 1mjqI-3e9yA:
undetectable
1mjqJ-3e9yA:
undetectable		 1mjqI-3e9yA:
11.40
1mjqJ-3e9yA:
11.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e9z PURINE-NUCLEOSIDE
PHOSPHORYLASE

(Schistosoma
mansoni) 		PF01048
(PNP_UDP_1) 		5 LEU A  70
LEU A 108
PRO A  27
HIS A  17
ALA A  16
 None
 1.31A 1mjqI-3e9zA:
undetectable
1mjqJ-3e9zA:
undetectable		 1mjqI-3e9zA:
16.73
1mjqJ-3e9zA:
16.73
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.
3eyk HEMAGGLUTININ HA1
CHAIN
HEMAGGLUTININ HA2
CHAIN

(Influenza A
virus;
Influenza A
virus) 		PF00509
(Hemagglutinin)
PF00509
(Hemagglutinin) 		5 GLU A  89
GLU B  67
ALA A 113
PHE A  87
GLY A 116
 None
 1.32A 1mjqI-3eykA:
undetectable
1mjqJ-3eykA:
undetectable		 1mjqI-3eykA:
13.80
1mjqJ-3eykA:
13.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fpk FERREDOXIN-NADP
REDUCTASE

(Salmonella
enterica) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 GLU A 175
HIS A 141
LEU A 149
ALA A 143
PHE A 145
 None
 1.16A 1mjqI-3fpkA:
undetectable
1mjqJ-3fpkA:
undetectable		 1mjqI-3fpkA:
15.94
1mjqJ-3fpkA:
15.94
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.
3hww 2-SUCCINYL-5-ENOLPYR
UVYL-6-HYDROXY-3-CYC
LOHEXENE-1-CARBOXYLA
TE SYNTHASE

(Escherichia
coli) 		PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
PF16582
(TPP_enzyme_M_2) 		5 HIS A 132
PRO A 130
HIS A 154
ALA A 155
GLY A 157
 NA  A 566 (-4.9A)
None
None
None
NA  A 559 (-3.5A)
 1.27A 1mjqI-3hwwA:
undetectable
1mjqJ-3hwwA:
undetectable		 1mjqI-3hwwA:
11.01
1mjqJ-3hwwA:
11.01
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.
3iv0 SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 LEU A 140
LEU A 208
PRO A 209
ALA A 147
PHE A 145
 None
 1.35A 1mjqI-3iv0A:
undetectable
1mjqJ-3iv0A:
undetectable		 1mjqI-3iv0A:
13.02
1mjqJ-3iv0A:
13.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lqy PUTATIVE
ISOCHORISMATASE
HYDROLASE

(Oleispira
antarctica) 		PF00857
(Isochorismatase) 		5 GLU A  33
LEU A  29
PRO A  28
ALA A 148
GLY A 119
 None
None
None
GOL  A 190 (-4.0A)
None
 1.35A 1mjqI-3lqyA:
undetectable
1mjqJ-3lqyA:
undetectable		 1mjqI-3lqyA:
19.79
1mjqJ-3lqyA:
19.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qe3 SORBITOL
DEHYDROGENASE

(Ovis aries) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLU A 149
LEU A 309
LEU A 141
PRO A 142
ALA A  91
 None
 1.32A 1mjqI-3qe3A:
undetectable
1mjqJ-3qe3A:
undetectable		 1mjqI-3qe3A:
17.69
1mjqJ-3qe3A:
17.69
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.
3r3s OXIDOREDUCTASE

(Salmonella
enterica) 		PF13561
(adh_short_C2) 		5 LEU A 148
HIS A 195
LEU A 196
ALA A 141
GLY A 240
 None
 1.36A 1mjqI-3r3sA:
undetectable
1mjqJ-3r3sA:
undetectable		 1mjqI-3r3sA:
15.49
1mjqJ-3r3sA:
15.49
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.
3ram HMRA PROTEIN

(Staphylococcus
aureus) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 HIS A 341
LEU A  86
PRO A  87
ALA A  92
GLY A  94
 ZN  A 998 (-3.3A)
None
None
None
None
 1.38A 1mjqI-3ramA:
undetectable
1mjqJ-3ramA:
undetectable		 1mjqI-3ramA:
13.52
1mjqJ-3ramA:
13.52
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.
3tox SHORT CHAIN
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		5 ARG A  22
LEU A  48
GLU A  51
ALA A  29
GLY A  32
 None
 1.23A 1mjqI-3toxA:
undetectable
1mjqJ-3toxA:
undetectable		 1mjqI-3toxA:
15.36
1mjqJ-3toxA:
15.36
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.
3u9s METHYLCROTONYL-COA
CARBOXYLASE,
ALPHA-SUBUNIT

(Pseudomonas
aeruginosa) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 GLU A 383
PRO A 345
HIS A 380
ALA A 381
GLY A 379
 None
 1.38A 1mjqI-3u9sA:
undetectable
1mjqJ-3u9sA:
undetectable		 1mjqI-3u9sA:
11.74
1mjqJ-3u9sA:
11.74
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.
3v8v RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE L

(Escherichia
coli) 		PF01170
(UPF0020)
PF02926
(THUMP)
PF10672
(Methyltrans_SAM) 		5 LEU A  16
GLU A  19
LEU A  23
ALA A  25
GLY A  39
 None
 1.16A 1mjqI-3v8vA:
undetectable
1mjqJ-3v8vA:
undetectable		 1mjqI-3v8vA:
13.17
1mjqJ-3v8vA:
13.17
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.
3whe HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		6 GLU A  89
ARG A 269
GLU A 396
ALA A 113
PHE A  87
GLY A 116
 None
 1.32A 1mjqI-3wheA:
undetectable
1mjqJ-3wheA:
undetectable		 1mjqI-3wheA:
12.03
1mjqJ-3wheA:
12.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zs3 THAUMATIN-LIKE
PROTEIN

(Malus domestica) 		PF00314
(Thaumatin) 		5 GLU A 184
LEU A 144
PRO A 141
ALA A 159
GLY A 164
 None
 1.08A 1mjqI-3zs3A:
undetectable
1mjqJ-3zs3A:
undetectable		 1mjqI-3zs3A:
17.41
1mjqJ-3zs3A:
17.41
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.
4cok PYRUVATE
DECARBOXYLASE

(Gluconacetobacter
diazotrophicus) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ARG A  62
LEU A  92
GLU A  90
ALA A 222
GLY A 224
 None
 1.27A 1mjqI-4cokA:
undetectable
1mjqJ-4cokA:
undetectable		 1mjqI-4cokA:
11.16
1mjqJ-4cokA:
11.16
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.
4d4g APNAA1

(Planktothrix
agardhii) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 GLU A 168
ARG A 365
LEU A 149
GLU A  54
HIS A   7
 None
 1.29A 1mjqI-4d4gA:
undetectable
1mjqJ-4d4gA:
undetectable		 1mjqI-4d4gA:
12.07
1mjqJ-4d4gA:
12.07
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.
4e5v PUTATIVE THUA-LIKE
PROTEIN

(Parabacteroides
merdae) 		PF06283
(ThuA) 		5 GLU A 229
LEU A 231
PRO A 230
HIS A 194
GLY A 248
 None
 1.37A 1mjqI-4e5vA:
undetectable
1mjqJ-4e5vA:
undetectable		 1mjqI-4e5vA:
15.19
1mjqJ-4e5vA:
15.19
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.
4egs RIBOSE 5-PHOSPHATE
ISOMERASE RPIB

(Caldanaerobacter
subterraneus) 		PF01451
(LMWPc) 		5 LEU A  83
LEU A 135
ALA A  17
PHE A  21
GLY A  19
 LEU  A  83 ( 0.6A)
LEU  A 135 ( 0.6A)
ALA  A  17 ( 0.0A)
PHE  A  21 ( 1.3A)
GLY  A  19 ( 0.0A)
 1.11A 1mjqI-4egsA:
undetectable
1mjqJ-4egsA:
undetectable		 1mjqI-4egsA:
21.20
1mjqJ-4egsA:
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.
4ewt PEPTIDASE,
M20/M25/M40 FAMILY

(Staphylococcus
aureus) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 HIS A 362
LEU A  82
PRO A  83
ALA A 102
GLY A 104
 MN  A 401 (-3.7A)
None
None
None
None
 1.35A 1mjqI-4ewtA:
undetectable
1mjqJ-4ewtA:
undetectable		 1mjqI-4ewtA:
13.70
1mjqJ-4ewtA:
13.70
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.
4flx DNA POLYMERASE 1

(Pyrococcus
abyssi) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 GLU A 376
GLU A 378
LEU A 381
ALA A 501
GLY A 499
 GLU  A 376 ( 0.6A)
GLU  A 378 ( 0.6A)
LEU  A 381 ( 0.6A)
ALA  A 501 ( 0.0A)
GLY  A 499 ( 0.0A)
 1.21A 1mjqI-4flxA:
undetectable
1mjqJ-4flxA:
undetectable		 1mjqI-4flxA:
10.36
1mjqJ-4flxA:
10.36
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.
4g92 TRANSCRIPTION FACTOR
HAPC (EUROFUNG)
HAPE

(Aspergillus
nidulans;
Aspergillus
nidulans) 		PF00808
(CBFD_NFYB_HMF)
PF00808
(CBFD_NFYB_HMF) 		5 LEU B  48
HIS C  85
LEU C  89
ALA C 114
PHE C 113
 None
 1.27A 1mjqI-4g92B:
undetectable
1mjqJ-4g92B:
undetectable		 1mjqI-4g92B:
18.42
1mjqJ-4g92B:
18.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4glf RSFP

(uncultured
bacterium) 		PF01048
(PNP_UDP_1) 		5 ARG A  34
LEU A  51
GLU A  53
LEU A  30
GLY A  23
 None
 1.24A 1mjqI-4glfA:
undetectable
1mjqJ-4glfA:
undetectable		 1mjqI-4glfA:
16.49
1mjqJ-4glfA:
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.
4hh8 BUTYROPHILIN
SUBFAMILY 1 MEMBER
A1

(Bos taurus) 		PF07686
(V-set)
PF08205
(C2-set_2) 		5 GLU A  36
ARG A  52
LEU A  50
GLU A  60
PHE A  99
 None
 1.14A 1mjqI-4hh8A:
undetectable
1mjqJ-4hh8A:
undetectable		 1mjqI-4hh8A:
18.26
1mjqJ-4hh8A:
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.
4jlc SERINE/THREONINE-PRO
TEIN KINASE TBK1

(Mus musculus) 		PF00069
(Pkinase) 		5 GLU A 111
LEU A 107
PRO A 108
HIS A 213
ALA A 214
 None
 1.34A 1mjqI-4jlcA:
undetectable
1mjqJ-4jlcA:
undetectable		 1mjqI-4jlcA:
9.75
1mjqJ-4jlcA:
9.75
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.
4mbg CAAX
FARNESYLTRANSFERASE
ALPHA SUBUNIT RAM2
CAAX
FARNESYLTRANSFERASE
BETA SUBUNIT RAM1

(Aspergillus
fumigatus;
Aspergillus
fumigatus) 		PF01239
(PPTA)
PF00432
(Prenyltrans) 		5 ARG B 175
LEU A  30
GLU B 138
ALA B 158
GLY B 161
 None
 0.98A 1mjqI-4mbgB:
undetectable
1mjqJ-4mbgB:
undetectable		 1mjqI-4mbgB:
13.00
1mjqJ-4mbgB:
13.00
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.
4mv3 BIOTIN CARBOXYLASE

(Haemophilus
influenzae) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 GLU A 336
PRO A 298
HIS A 333
ALA A 334
GLY A 332
 None
 1.33A 1mjqI-4mv3A:
undetectable
1mjqJ-4mv3A:
undetectable		 1mjqI-4mv3A:
13.07
1mjqJ-4mv3A:
13.07
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.
4tzo PROTEIN HTP-1
C. ELEGANS HIM-3
CLOSURE MOTIF

(Caenorhabditis
elegans;
Caenorhabditis
elegans) 		PF02301
(HORMA)
no annotation 		5 LEU A 189
GLU A 123
LEU A 110
ALA A 195
GLY B 284
 None
 1.32A 1mjqI-4tzoA:
undetectable
1mjqJ-4tzoA:
undetectable		 1mjqI-4tzoA:
19.44
1mjqJ-4tzoA:
19.44
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.
4xly UNCHARACTERIZED
PROTEIN BLR2150

(Bradyrhizobium
diazoefficiens) 		no annotation 5 ARG A 113
LEU A 129
GLU A  67
LEU A  71
ALA A 167
 None
None
None
ECP  A 700 (-3.3A)
ECP  A 700 (-3.3A)
 1.34A 1mjqI-4xlyA:
0.4
1mjqJ-4xlyA:
0.4		 1mjqI-4xlyA:
18.51
1mjqJ-4xlyA:
18.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ywc TRANSCRIPTION FACTOR
MYC3

(Arabidopsis
thaliana) 		PF14215
(bHLH-MYC_N) 		5 GLU A 214
LEU A 165
PRO A 166
ALA A 192
GLY A 188
 None
 1.11A 1mjqI-4ywcA:
undetectable
1mjqJ-4ywcA:
undetectable		 1mjqI-4ywcA:
15.97
1mjqJ-4ywcA:
15.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z7g SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1

(Homo sapiens) 		PF00069
(Pkinase)
PF06479
(Ribonuc_2-5A) 		5 LEU A 615
GLU A 618
LEU A 682
HIS A 622
GLY A 675
 None
 1.22A 1mjqI-4z7gA:
undetectable
1mjqJ-4z7gA:
undetectable		 1mjqI-4z7gA:
12.11
1mjqJ-4z7gA:
12.11
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.
4zrv MINCLE CRD

(Bos taurus) 		PF00059
(Lectin_C) 		5 GLU A 135
GLU A 176
PRO A 195
ALA A 179
GLY A 139
 4RS  A 301 (-3.1A)
4RS  A 301 (-2.5A)
None
None
None
 1.33A 1mjqI-4zrvA:
undetectable
1mjqJ-4zrvA:
undetectable		 1mjqI-4zrvA:
19.40
1mjqJ-4zrvA:
19.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zrw MINCLE PROTEIN

(Bos taurus) 		PF00059
(Lectin_C) 		5 GLU A 135
GLU A 176
PRO A 195
ALA A 179
GLY A 139
 TRE  A 301 (-2.7A)
TRE  A 301 (-2.6A)
None
None
None
 1.32A 1mjqI-4zrwA:
undetectable
1mjqJ-4zrwA:
undetectable		 1mjqI-4zrwA:
18.12
1mjqJ-4zrwA:
18.12
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.
5cx8 LIPOPROTEIN RAGB

(Porphyromonas
gingivalis) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 LEU A 220
PRO A 221
ALA A 150
PHE A 148
GLY A 152
 None
 1.34A 1mjqI-5cx8A:
undetectable
1mjqJ-5cx8A:
undetectable		 1mjqI-5cx8A:
11.64
1mjqJ-5cx8A:
11.64
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.
5ej1 PUTATIVE CELLULOSE
SYNTHASE

(Rhodobacter
sphaeroides) 		PF03170
(BcsB) 		5 ARG B 334
LEU B 368
PRO B 369
ALA B 365
GLY B 363
 None
 1.10A 1mjqI-5ej1B:
undetectable
1mjqJ-5ej1B:
undetectable		 1mjqI-5ej1B:
10.26
1mjqJ-5ej1B:
10.26
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.
5eod COAGULATION FACTOR
XI

(Homo sapiens) 		PF00024
(PAN_1)
PF00089
(Trypsin) 		5 LEU A 257
PRO A 188
ALA A 205
PHE A 206
GLY A 209
 None
 1.34A 1mjqI-5eodA:
undetectable
1mjqJ-5eodA:
undetectable		 1mjqI-5eodA:
11.01
1mjqJ-5eodA:
11.01
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.
5f05 PHI CLASS
GLUTATHIONE
TRANSFERASE GSTF5

(Populus
trichocarpa) 		PF00043
(GST_C)
PF02798
(GST_N) 		5 GLU A  67
PRO A  51
HIS A   7
ALA A  57
GLY A   8
 GSH  A 301 (-2.6A)
None
None
None
None
 1.03A 1mjqI-5f05A:
undetectable
1mjqJ-5f05A:
undetectable		 1mjqI-5f05A:
14.95
1mjqJ-5f05A:
14.95
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.
5gzh ENDO-BETA-1,2-GLUCAN
ASE

(Chitinophaga
pinensis) 		PF10091
(Glycoamylase) 		5 ARG A 154
LEU A 151
PRO A 424
ALA A 221
GLY A 226
 None
 1.35A 1mjqI-5gzhA:
undetectable
1mjqJ-5gzhA:
undetectable		 1mjqI-5gzhA:
13.42
1mjqJ-5gzhA:
13.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h12 DEEP VENT DNA
POLYMERASE

(Pyrococcus) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 GLU A 376
GLU A 378
LEU A 381
ALA A 501
GLY A 499
 None
 1.21A 1mjqI-5h12A:
undetectable
1mjqJ-5h12A:
undetectable		 1mjqI-5h12A:
11.04
1mjqJ-5h12A:
11.04
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.
5ik8 LAMININ SUBUNIT
ALPHA-2

(Mus musculus) 		PF00054
(Laminin_G_1)
PF02210
(Laminin_G_2) 		5 LEU A3105
LEU A3107
ALA A2946
PHE A3061
GLY A3063
 None
 1.35A 1mjqI-5ik8A:
undetectable
1mjqJ-5ik8A:
undetectable		 1mjqI-5ik8A:
13.39
1mjqJ-5ik8A:
13.39
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.
5itg SORBITOL
DEHYDROGENASE

(Gluconobacter
oxydans) 		PF01232
(Mannitol_dh)
PF08125
(Mannitol_dh_C) 		5 GLU A 427
GLU A 434
LEU A 449
PRO A 450
ALA A 438
 None
 1.17A 1mjqI-5itgA:
undetectable
1mjqJ-5itgA:
undetectable		 1mjqI-5itgA:
13.95
1mjqJ-5itgA:
13.95
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.
5mso CARBOXYLIC ACID
REDUCTASE

(Mycobacterium
marinum) 		PF07993
(NAD_binding_4) 		5 GLU A 800
LEU A 843
LEU A 809
ALA A 795
GLY A 791
 None
None
None
None
NAP  A1201 (-3.8A)
 1.26A 1mjqI-5msoA:
undetectable
1mjqJ-5msoA:
undetectable		 1mjqI-5msoA:
6.72
1mjqJ-5msoA:
6.72
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.
5o0t PUTATIVE FERRIC
REDUCTASE

(Cylindrospermum
stagnale) 		PF01794
(Ferric_reduct) 		5 LEU A 250
HIS A 317
HIS A 313
ALA A 255
GLY A 259
 None
HEM  A 505 (-3.5A)
HEM  A 505 (-3.2A)
None
HEM  A 505 (-3.2A)
 1.02A 1mjqI-5o0tA:
undetectable
1mjqJ-5o0tA:
undetectable		 1mjqI-5o0tA:
19.31
1mjqJ-5o0tA:
19.31
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.
5oie -

(-) 		no annotation 5 LEU A 229
GLU A 230
LEU A 199
PRO A 200
GLY A 220
 None
 0.87A 1mjqI-5oieA:
undetectable
1mjqJ-5oieA:
undetectable		 1mjqI-5oieA:
undetectable
1mjqJ-5oieA:
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.
5op0 DNA POLYMERASE LIGD,
POLYMERASE DOMAIN

(Mycolicibacterium
smegmatis) 		no annotation 5 GLU B 206
ARG B 210
LEU B 163
GLU B 166
GLY B 299
 None
 1.21A 1mjqI-5op0B:
undetectable
1mjqJ-5op0B:
undetectable		 1mjqI-5op0B:
17.30
1mjqJ-5op0B:
17.30
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.
5twt PEROXIDASE PVI9

(Panicum
virgatum) 		PF00141
(peroxidase) 		5 LEU A 175
LEU A 233
PRO A 139
ALA A 172
GLY A 170
 None
HEM  A 301 (-4.2A)
HEM  A 301 ( 3.5A)
HEM  A 301 (-3.0A)
HEM  A 301 (-3.0A)
 1.31A 1mjqI-5twtA:
undetectable
1mjqJ-5twtA:
undetectable		 1mjqI-5twtA:
15.85
1mjqJ-5twtA:
15.85
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.
5ucm PROLINE--TRNA LIGASE

(Pseudomonas
aeruginosa) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF04073
(tRNA_edit) 		5 LEU A 272
PRO A 273
HIS A 367
ALA A 358
PHE A 357
 None
 1.34A 1mjqI-5ucmA:
undetectable
1mjqJ-5ucmA:
undetectable		 1mjqI-5ucmA:
12.37
1mjqJ-5ucmA:
12.37
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.
5uuo GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN

(Novosphingobium
aromaticivorans) 		no annotation 5 GLU B  68
LEU B 214
ALA B 130
PHE B 136
GLY B 134
 None
 1.21A 1mjqI-5uuoB:
undetectable
1mjqJ-5uuoB:
undetectable		 1mjqI-5uuoB:
undetectable
1mjqJ-5uuoB:
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.
5wyp DNA POLYMERASE III
SUBUNIT BETA

(Caulobacter
vibrioides) 		no annotation 5 LEU A 136
LEU A 172
PRO A 190
HIS A 162
GLY A 198
 None
 1.29A 1mjqI-5wypA:
undetectable
1mjqJ-5wypA:
undetectable		 1mjqI-5wypA:
undetectable
1mjqJ-5wypA:
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.
5xfa NAD-REDUCING
HYDROGENASE
NAD-REDUCING
HYDROGENASE

(Hydrogenophilus
thermoluteolus;
Hydrogenophilus
thermoluteolus) 		PF01257
(2Fe-2S_thioredx)
PF01512
(Complex1_51K)
PF10589
(NADH_4Fe-4S)
PF10588
(NADH-G_4Fe-4S_3)
PF13459
(Fer4_15)
PF13510
(Fer2_4) 		5 LEU B 164
GLU B 169
LEU A  41
PRO A  42
GLY A 328
 None
 1.21A 1mjqI-5xfaB:
undetectable
1mjqJ-5xfaB:
undetectable		 1mjqI-5xfaB:
19.31
1mjqJ-5xfaB:
19.31
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.
5xl2 HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		5 GLU A  85
GLU A 394
ALA A 109
PHE A  83
GLY A 112
 None
 1.32A 1mjqI-5xl2A:
undetectable
1mjqJ-5xl2A:
undetectable		 1mjqI-5xl2A:
12.74
1mjqJ-5xl2A:
12.74
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.
5xww AMPHB

(Streptomyces
nodosus) 		no annotation 5 GLU A 265
LEU A 269
GLU A 240
ALA A 235
GLY A 226
 None
 1.35A 1mjqI-5xwwA:
undetectable
1mjqJ-5xwwA:
undetectable		 1mjqI-5xwwA:
undetectable
1mjqJ-5xwwA:
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.
6ams BETA SLIDING CLAMP

(Pseudomonas
aeruginosa) 		no annotation 5 LEU A  53
GLU A 203
LEU A 204
ALA A 226
GLY A 216
 None
 1.17A 1mjqI-6amsA:
undetectable
1mjqJ-6amsA:
undetectable		 1mjqI-6amsA:
16.76
1mjqJ-6amsA:
16.76