SIMILAR PATTERNS OF AMINO ACIDS FOR 1CMC_A_SAMA105

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.
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
 0.87A 1cmcA-1brwA:
undetectable
1cmcB-1brwA:
undetectable		 1cmcA-1brwA:
15.64
1cmcB-1brwA:
15.64
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.
1c4k PROTEIN (ORNITHINE
DECARBOXYLASE)

(Lactobacillus
sp. 30A) 		PF01276
(OKR_DC_1)
PF03709
(OKR_DC_1_N)
PF03711
(OKR_DC_1_C) 		5 ALA A 653
GLY A 714
ARG A 220
GLU A 671
PRO A 622
 None
 1.30A 1cmcA-1c4kA:
undetectable
1cmcB-1c4kA:
undetectable		 1cmcA-1c4kA:
13.79
1cmcB-1c4kA:
13.79
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.
1czv PROTEIN (COAGULATION
FACTOR V)

(Homo sapiens) 		PF00754
(F5_F8_type_C) 		5 GLY A  75
LEU A 153
GLU A 152
HIS A 122
LEU A  38
 None
 1.37A 1cmcA-1czvA:
undetectable
1cmcB-1czvA:
undetectable		 1cmcA-1czvA:
22.84
1cmcB-1czvA:
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.
1jmy BILE-SALT-ACTIVATED
LIPASE

(Homo sapiens) 		PF00135
(COesterase) 		5 ALA A 251
GLY A 249
LEU A 158
LEU A 234
PRO A 233
 None
 1.22A 1cmcA-1jmyA:
undetectable
1cmcB-1jmyA:
undetectable		 1cmcA-1jmyA:
11.61
1cmcB-1jmyA:
11.61
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.
1kwg BETA-GALACTOSIDASE

(Thermus
thermophilus) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		5 GLY A 577
ARG A 560
GLU A 586
LEU A 583
PRO A 478
 MPD  A 803 (-3.6A)
ACT  A 805 (-4.0A)
ACT  A 805 ( 4.2A)
ACT  A 805 ( 4.8A)
None
 1.38A 1cmcA-1kwgA:
undetectable
1cmcB-1kwgA:
undetectable		 1cmcA-1kwgA:
9.03
1cmcB-1kwgA:
9.03
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.
1l5j ACONITATE HYDRATASE
2

(Escherichia
coli) 		PF00330
(Aconitase)
PF06434
(Aconitase_2_N)
PF11791
(Aconitase_B_N) 		5 ALA A 664
GLY A 381
GLU A 582
ARG A 535
LEU A 533
 None
 1.33A 1cmcA-1l5jA:
undetectable
1cmcB-1l5jA:
undetectable		 1cmcA-1l5jA:
8.27
1cmcB-1l5jA:
8.27
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.
1lpc DIANTHIN 30

(Dianthus
caryophyllus) 		PF00161
(RIP) 		5 ALA A 179
PHE A 181
GLY A 245
GLU A 177
LEU A  72
 None
None
None
CMP  A 901 (-3.9A)
None
 1.35A 1cmcA-1lpcA:
undetectable
1cmcB-1lpcA:
undetectable		 1cmcA-1lpcA:
14.96
1cmcB-1lpcA:
14.96
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
 0.25A 1cmcA-1mjlA:
19.0
1cmcB-1mjlA:
18.7		 1cmcA-1mjlA:
99.04
1cmcB-1mjlA:
99.04
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.
1npc NEUTRAL PROTEASE

(Bacillus cereus) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		5 ALA A 313
PHE A 311
GLY A 315
LEU A 245
HIS A 251
 None
 1.38A 1cmcA-1npcA:
undetectable
1cmcB-1npcA:
undetectable		 1cmcA-1npcA:
15.30
1cmcB-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 ALA A 448
GLY A 443
ARG A  79
LEU A  80
GLU A 453
 FAD  A 652 (-3.6A)
FAD  A 652 (-4.1A)
None
None
None
 1.33A 1cmcA-1o5wA:
undetectable
1cmcB-1o5wA:
undetectable		 1cmcA-1o5wA:
11.01
1cmcB-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.
1qd1 FORMIMINOTRANSFERASE
-CYCLODEAMINASE

(Sus scrofa) 		PF02971
(FTCD)
PF07837
(FTCD_N) 		5 ALA A 281
PHE A 284
GLY A 245
LEU A 302
LEU A 307
 None
 1.39A 1cmcA-1qd1A:
undetectable
1cmcB-1qd1A:
undetectable		 1cmcA-1qd1A:
14.77
1cmcB-1qd1A:
14.77
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.
1qi7 PROTEIN
(N-GLYCOSIDASE)

(Saponaria
officinalis) 		PF00161
(RIP) 		5 ALA A 178
PHE A 180
GLY A 244
GLU A 176
LEU A  71
 None
 1.39A 1cmcA-1qi7A:
undetectable
1cmcB-1qi7A:
undetectable		 1cmcA-1qi7A:
20.28
1cmcB-1qi7A:
20.28
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.
1sb3 4-HYDROXYBENZOYL-COA
REDUCTASE ALPHA
SUBUNIT
4-HYDROXYBENZOYL-COA
REDUCTASE GAMMA
SUBUNIT

(Thauera
aromatica;
Thauera
aromatica) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2)
PF00111
(Fer2)
PF01799
(Fer2_2) 		5 GLY A  26
GLU C 112
ARG C 116
LEU C  52
GLU C  74
 None
 1.13A 1cmcA-1sb3A:
undetectable
1cmcB-1sb3A:
undetectable		 1cmcA-1sb3A:
8.82
1cmcB-1sb3A:
8.82
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.
1v7v CHITOBIOSE
PHOSPHORYLASE

(Vibrio
proteolyticus) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		5 ALA A 597
GLY A 552
GLU A 595
LEU A 656
GLU A 653
 None
 1.27A 1cmcA-1v7vA:
undetectable
1cmcB-1v7vA:
undetectable		 1cmcA-1v7vA:
10.79
1cmcB-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.
1vpe PHOSPHOGLYCERATE
KINASE

(Thermotoga
maritima) 		PF00162
(PGK) 		5 ALA A 329
PHE A 323
GLY A 331
GLU A 324
PRO A 274
 None
None
None
ANP  A 400 (-3.0A)
None
 1.36A 1cmcA-1vpeA:
undetectable
1cmcB-1vpeA:
undetectable		 1cmcA-1vpeA:
17.55
1cmcB-1vpeA:
17.55
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.
1vra ARGININE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
ARGJ

(Bacillus
halodurans) 		PF01960
(ArgJ) 		5 ALA B 279
GLY B 282
GLU B 290
LEU B 288
PRO B 377
 None
 1.38A 1cmcA-1vraB:
undetectable
1cmcB-1vraB:
undetectable		 1cmcA-1vraB:
20.00
1cmcB-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.
1vs0 PUTATIVE DNA
LIGASE-LIKE PROTEIN
RV0938/MT0965

(Mycobacterium
tuberculosis) 		PF01068
(DNA_ligase_A_M)
PF04679
(DNA_ligase_A_C) 		5 ALA A 558
PHE A 559
GLU A 479
GLU A 582
LEU A 581
 None
APK  A 481 ( 3.4A)
APK  A 481 ( 4.2A)
None
None
 1.42A 1cmcA-1vs0A:
undetectable
1cmcB-1vs0A:
undetectable		 1cmcA-1vs0A:
15.86
1cmcB-1vs0A:
15.86
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.
1wac P2 PROTEIN

(Pseudomonas
virus phi6) 		PF00680
(RdRP_1) 		5 ALA A 623
PHE A 546
GLY A 548
ARG A 146
LEU A 643
 None
 1.37A 1cmcA-1wacA:
undetectable
1cmcB-1wacA:
undetectable		 1cmcA-1wacA:
10.70
1cmcB-1wacA:
10.70
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.
1yc9 MULTIDRUG RESISTANCE
PROTEIN

(Vibrio cholerae) 		PF02321
(OEP) 		5 ALA A 101
GLY A 103
GLU A 170
ARG A 310
GLU A 177
 None
 1.12A 1cmcA-1yc9A:
undetectable
1cmcB-1yc9A:
undetectable		 1cmcA-1yc9A:
13.38
1cmcB-1yc9A:
13.38
Potential target for repurposing, i.e. matched protein structure has less than 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 ALA A 101
PHE A 104
GLY A 103
ARG A 310
GLU A 177
 None
 1.32A 1cmcA-1yc9A:
undetectable
1cmcB-1yc9A:
undetectable		 1cmcA-1yc9A:
13.38
1cmcB-1yc9A:
13.38
Potential target for repurposing, i.e. matched protein structure has less than 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 GLY A 318
ARG A 193
LEU A 371
HIS A 414
PRO A 378
 None
 1.20A 1cmcA-1z5aA:
undetectable
1cmcB-1z5aA:
undetectable		 1cmcA-1z5aA:
13.27
1cmcB-1z5aA:
13.27
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.
2arh HYPOTHETICAL PROTEIN
AQ_1966

(Aquifex
aeolicus) 		PF06557
(DUF1122) 		5 PHE A 172
GLY A 177
ARG A 191
GLU A 110
LEU A 184
 None
 1.00A 1cmcA-2arhA:
undetectable
1cmcB-2arhA:
undetectable		 1cmcA-2arhA:
21.43
1cmcB-2arhA:
21.43
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.
2b3x IRON-RESPONSIVE
ELEMENT BINDING
PROTEIN 1

(Homo sapiens) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		5 ALA A 784
PHE A 788
GLY A 786
LEU A 808
PRO A 815
 None
 1.14A 1cmcA-2b3xA:
undetectable
1cmcB-2b3xA:
undetectable		 1cmcA-2b3xA:
7.51
1cmcB-2b3xA:
7.51
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.
2cwd LOW MOLECULAR WEIGHT
PHOSPHOTYROSINE
PROTEIN PHOSPHATASE

(Thermus
thermophilus) 		PF01451
(LMWPc) 		5 ALA A  21
PHE A  25
GLY A  23
LEU A  88
LEU A 139
 None
 1.04A 1cmcA-2cwdA:
undetectable
1cmcB-2cwdA:
undetectable		 1cmcA-2cwdA:
18.75
1cmcB-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 ALA A   7
GLY A  40
GLU A  72
LEU A  94
LEU A  64
 None
 1.31A 1cmcA-2ejwA:
undetectable
1cmcB-2ejwA:
undetectable		 1cmcA-2ejwA:
14.15
1cmcB-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 GLY A 237
GLU A 281
LEU A  37
HIS A 294
LEU A 283
 None
 1.23A 1cmcA-2ghsA:
undetectable
1cmcB-2ghsA:
undetectable		 1cmcA-2ghsA:
14.84
1cmcB-2ghsA:
14.84
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.
2gou OXIDOREDUCTASE,
FMN-BINDING

(Shewanella
oneidensis) 		PF00724
(Oxidored_FMN) 		5 GLY A 322
ARG A  29
LEU A 357
HIS A 344
LEU A 349
 FMN  A4401 (-3.4A)
None
None
None
FMN  A4401 ( 3.8A)
 0.97A 1cmcA-2gouA:
undetectable
1cmcB-2gouA:
undetectable		 1cmcA-2gouA:
14.25
1cmcB-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.
2gz3 ASPARTATE
BETA-SEMIALDEHYDE
DEHYDROGENASE

(Streptococcus
pneumoniae) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 ALA A 202
GLU A 167
ARG A 170
GLU A 174
LEU A 185
 None
 1.26A 1cmcA-2gz3A:
undetectable
1cmcB-2gz3A:
undetectable		 1cmcA-2gz3A:
14.66
1cmcB-2gz3A:
14.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2lw1 ABC TRANSPORTER
ATP-BINDING PROTEIN
UUP

(Escherichia
coli) 		PF16326
(ABC_tran_CTD) 		5 ALA A 621
GLU A 569
LEU A 628
LEU A 577
PRO A 574
 None
 1.30A 1cmcA-2lw1A:
undetectable
1cmcB-2lw1A:
undetectable		 1cmcA-2lw1A:
26.09
1cmcB-2lw1A:
26.09
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.
2ory LIPASE

(Photobacterium
sp. M37) 		PF01764
(Lipase_3) 		5 ALA A 207
PHE A 206
GLY A 177
LEU A 293
HIS A 312
 None
 1.26A 1cmcA-2oryA:
undetectable
1cmcB-2oryA:
undetectable		 1cmcA-2oryA:
17.32
1cmcB-2oryA:
17.32
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.
2p4q 6-PHOSPHOGLUCONATE
DEHYDROGENASE,
DECARBOXYLATING 1

(Saccharomyces
cerevisiae) 		PF00393
(6PGD)
PF03446
(NAD_binding_2) 		5 ALA A  30
GLY A  53
GLU A  45
LEU A  19
LEU A  10
 None
 1.19A 1cmcA-2p4qA:
undetectable
1cmcB-2p4qA:
undetectable		 1cmcA-2p4qA:
12.11
1cmcB-2p4qA:
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.
2ppq HOMOSERINE KINASE

(Agrobacterium
fabrum) 		PF01636
(APH) 		5 ALA A 264
ARG A 255
LEU A 257
LEU A 185
PRO A 186
 None
 0.92A 1cmcA-2ppqA:
undetectable
1cmcB-2ppqA:
undetectable		 1cmcA-2ppqA:
14.68
1cmcB-2ppqA:
14.68
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.
2ppq HOMOSERINE KINASE

(Agrobacterium
fabrum) 		PF01636
(APH) 		5 ARG A 255
LEU A 257
GLU A 261
LEU A 185
PRO A 186
 None
 1.28A 1cmcA-2ppqA:
undetectable
1cmcB-2ppqA:
undetectable		 1cmcA-2ppqA:
14.68
1cmcB-2ppqA:
14.68
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.
2pyw UNCHARACTERIZED
PROTEIN

(Arabidopsis
thaliana) 		PF01636
(APH) 		5 ALA A 221
PHE A 186
ARG A 403
LEU A 400
GLU A 219
 None
 1.28A 1cmcA-2pywA:
undetectable
1cmcB-2pywA:
undetectable		 1cmcA-2pywA:
15.08
1cmcB-2pywA:
15.08
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.
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 GLY A 619
GLU A 599
GLU A 602
LEU A 603
PRO A 568
 None
 1.35A 1cmcA-2y3aA:
undetectable
1cmcB-2y3aA:
undetectable		 1cmcA-2y3aA:
8.80
1cmcB-2y3aA:
8.80
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.
2yp2 HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		6 ALA A 113
PHE A  87
GLY A 116
GLU A  89
ARG A 269
GLU A 396
 None
 1.33A 1cmcA-2yp2A:
undetectable
1cmcB-2yp2A:
undetectable		 1cmcA-2yp2A:
11.20
1cmcB-2yp2A:
11.20
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.
2z5x AMINE OXIDASE
[FLAVIN-CONTAINING]
A

(Homo sapiens) 		PF01593
(Amino_oxidase) 		5 ALA A 448
GLY A 443
ARG A  79
LEU A  80
GLU A 453
 FAD  A 600 (-3.5A)
FAD  A 600 (-4.3A)
None
None
None
 1.31A 1cmcA-2z5xA:
undetectable
1cmcB-2z5xA:
undetectable		 1cmcA-2z5xA:
12.20
1cmcB-2z5xA:
12.20
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.
2zf8 COMPONENT OF
SODIUM-DRIVEN POLAR
FLAGELLAR MOTOR

(Vibrio
alginolyticus) 		PF00691
(OmpA) 		5 ALA A  37
GLY A  35
HIS A  29
LEU A 132
PRO A 114
 None
 1.02A 1cmcA-2zf8A:
undetectable
1cmcB-2zf8A:
undetectable		 1cmcA-2zf8A:
18.57
1cmcB-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.
3bxw CHITINASE
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		no annotation 5 GLY B 363
ARG B  26
LEU B  28
GLU B  41
HIS B  42
 None
 1.38A 1cmcA-3bxwB:
undetectable
1cmcB-3bxwB:
undetectable		 1cmcA-3bxwB:
15.57
1cmcB-3bxwB:
15.57
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.
3c4q PREDICTED
GLYCOSYLTRANSFERASES

(Corynebacterium
glutamicum) 		PF00534
(Glycos_transf_1)
PF13439
(Glyco_transf_4) 		5 ALA A  87
PHE A  88
GLY A  90
LEU A  81
PRO A  72
 None
 0.93A 1cmcA-3c4qA:
undetectable
1cmcB-3c4qA:
undetectable		 1cmcA-3c4qA:
13.37
1cmcB-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 ALA G 292
GLY G  16
ARG G 434
LEU G 411
PRO G 400
 None
 1.26A 1cmcA-3cpiG:
undetectable
1cmcB-3cpiG:
undetectable		 1cmcA-3cpiG:
11.73
1cmcB-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.
3dpi NAD+ SYNTHETASE

(Burkholderia
pseudomallei) 		PF02540
(NAD_synthase) 		5 ALA A 187
GLY A 185
LEU A  50
LEU A 190
PRO A 191
 None
 1.39A 1cmcA-3dpiA:
undetectable
1cmcB-3dpiA:
undetectable		 1cmcA-3dpiA:
17.11
1cmcB-3dpiA:
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.
3eyk HEMAGGLUTININ HA1
CHAIN
HEMAGGLUTININ HA2
CHAIN

(Influenza A
virus;
Influenza A
virus) 		PF00509
(Hemagglutinin)
PF00509
(Hemagglutinin) 		5 ALA A 113
PHE A  87
GLY A 116
GLU A  89
GLU B  67
 None
 1.26A 1cmcA-3eykA:
undetectable
1cmcB-3eykA:
undetectable		 1cmcA-3eykA:
13.19
1cmcB-3eykA:
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.
3fpk FERREDOXIN-NADP
REDUCTASE

(Salmonella
enterica) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 ALA A 143
PHE A 145
GLU A 175
HIS A 141
LEU A 149
 None
 1.22A 1cmcA-3fpkA:
undetectable
1cmcB-3fpkA:
undetectable		 1cmcA-3fpkA:
18.80
1cmcB-3fpkA:
18.80
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.
3g9k CAPSULE BIOSYNTHESIS
PROTEIN CAPD
CAPSULE BIOSYNTHESIS
PROTEIN CAPD

(Bacillus
anthracis;
Bacillus
anthracis) 		no annotation
no annotation 		5 ALA L  58
GLY L  62
ARG S 520
GLU L  87
LEU L  83
 None
None
GLU  S   2 (-4.2A)
None
None
 1.29A 1cmcA-3g9kL:
undetectable
1cmcB-3g9kL:
undetectable		 1cmcA-3g9kL:
15.48
1cmcB-3g9kL:
15.48
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.
3iv0 SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 ALA A 147
PHE A 145
LEU A 140
LEU A 208
PRO A 209
 None
 1.29A 1cmcA-3iv0A:
undetectable
1cmcB-3iv0A:
undetectable		 1cmcA-3iv0A:
13.02
1cmcB-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.
3jzd IRON-CONTAINING
ALCOHOL
DEHYDROGENASE

(Cupriavidus
pinatubonensis) 		PF00465
(Fe-ADH) 		5 ALA A 179
GLY A 181
LEU A 172
LEU A 268
PRO A 265
 None
 1.41A 1cmcA-3jzdA:
undetectable
1cmcB-3jzdA:
undetectable		 1cmcA-3jzdA:
15.06
1cmcB-3jzdA:
15.06
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.
3lqy PUTATIVE
ISOCHORISMATASE
HYDROLASE

(Oleispira
antarctica) 		PF00857
(Isochorismatase) 		5 ALA A 148
GLY A 119
GLU A  33
LEU A  29
PRO A  28
 GOL  A 190 (-4.0A)
None
None
None
None
 1.37A 1cmcA-3lqyA:
undetectable
1cmcB-3lqyA:
undetectable		 1cmcA-3lqyA:
18.82
1cmcB-3lqyA:
18.82
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.
3mdu N-FORMIMINO-L-GLUTAM
ATE IMINOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01979
(Amidohydro_1) 		5 ALA A 371
GLY A 373
LEU A 315
HIS A 230
LEU A  55
 None
 1.31A 1cmcA-3mduA:
undetectable
1cmcB-3mduA:
undetectable		 1cmcA-3mduA:
17.91
1cmcB-3mduA:
17.91
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.
3oka GDP-MANNOSE-DEPENDEN
T
ALPHA-(1-6)-PHOSPHAT
IDYLINOSITOL
MONOMANNOSIDE
MANNOSYLTRANSFERASE

(Corynebacterium
glutamicum) 		PF00534
(Glycos_transf_1)
PF13439
(Glyco_transf_4) 		5 ALA A  95
PHE A  92
GLY A  93
LEU A 144
PRO A 163
 None
 1.26A 1cmcA-3okaA:
undetectable
1cmcB-3okaA:
undetectable		 1cmcA-3okaA:
17.61
1cmcB-3okaA:
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.
3ovz CATHEPSIN K

(Homo sapiens) 		PF00112
(Peptidase_C1) 		5 ALA A 104
GLY A 102
GLU A  84
GLU A  35
LEU A  48
 None
 1.32A 1cmcA-3ovzA:
undetectable
1cmcB-3ovzA:
undetectable		 1cmcA-3ovzA:
15.09
1cmcB-3ovzA:
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.
3qe3 SORBITOL
DEHYDROGENASE

(Ovis aries) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ALA A  91
GLU A 149
LEU A 309
LEU A 141
PRO A 142
 None
 1.34A 1cmcA-3qe3A:
undetectable
1cmcB-3qe3A:
undetectable		 1cmcA-3qe3A:
20.38
1cmcB-3qe3A:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qt3 PUTATIVE
UNCHARACTERIZED
PROTEIN CPE0426

(Clostridium
perfringens) 		PF06824
(Glyco_hydro_125) 		5 ALA A  85
PHE A  87
GLY A  89
GLU A  82
LEU A   8
 None
 1.31A 1cmcA-3qt3A:
undetectable
1cmcB-3qt3A:
undetectable		 1cmcA-3qt3A:
13.85
1cmcB-3qt3A:
13.85
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.
3rmu METHYLMALONYL-COA
EPIMERASE,
MITOCHONDRIAL

(Homo sapiens) 		PF13669
(Glyoxalase_4) 		5 ALA A 153
GLY A 155
HIS A  82
LEU A  79
PRO A  78
 None
 1.32A 1cmcA-3rmuA:
undetectable
1cmcB-3rmuA:
undetectable		 1cmcA-3rmuA:
21.28
1cmcB-3rmuA:
21.28
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.
3tox SHORT CHAIN
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		5 ALA A  29
GLY A  32
ARG A  22
LEU A  48
GLU A  51
 None
 1.23A 1cmcA-3toxA:
undetectable
1cmcB-3toxA:
undetectable		 1cmcA-3toxA:
15.36
1cmcB-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.
3whe HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		6 ALA A 113
PHE A  87
GLY A 116
GLU A  89
ARG A 269
GLU A 396
 None
 1.28A 1cmcA-3wheA:
undetectable
1cmcB-3wheA:
undetectable		 1cmcA-3wheA:
11.59
1cmcB-3wheA:
11.59
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.
3zqj UVRABC SYSTEM
PROTEIN A

(Mycobacterium
tuberculosis) 		PF00005
(ABC_tran) 		5 ALA A 578
GLY A 582
GLU A 847
ARG A 850
LEU A 831
 None
 1.38A 1cmcA-3zqjA:
undetectable
1cmcB-3zqjA:
undetectable		 1cmcA-3zqjA:
8.47
1cmcB-3zqjA:
8.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zs3 THAUMATIN-LIKE
PROTEIN

(Malus domestica) 		PF00314
(Thaumatin) 		5 ALA A 159
GLY A 164
GLU A 184
LEU A 144
PRO A 141
 None
 1.00A 1cmcA-3zs3A:
undetectable
1cmcB-3zs3A:
undetectable		 1cmcA-3zs3A:
18.92
1cmcB-3zs3A:
18.92
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.
3zyx AMINE OXIDASE
[FLAVIN-CONTAINING]
B

(Homo sapiens) 		PF01593
(Amino_oxidase) 		5 ALA A 439
GLY A 434
ARG A  70
LEU A  71
GLU A 444
 FAD  A 600 (-3.5A)
FAD  A 600 (-4.3A)
None
None
None
 1.32A 1cmcA-3zyxA:
undetectable
1cmcB-3zyxA:
undetectable		 1cmcA-3zyxA:
12.23
1cmcB-3zyxA:
12.23
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.
4bkw ZINC FINGER FYVE
DOMAIN-CONTAINING
PROTEIN 9

(Homo sapiens) 		PF11979
(DUF3480) 		5 ALA A1067
GLY A1016
ARG A1095
GLU A1063
LEU A1074
 None
 1.28A 1cmcA-4bkwA:
undetectable
1cmcB-4bkwA:
undetectable		 1cmcA-4bkwA:
12.99
1cmcB-4bkwA:
12.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bz4 COPPER-REPRESSIBLE
POLYPEPTIDE

(Methylomicrobium
album) 		no annotation 5 ALA A 207
GLY A 209
HIS A 222
LEU A  90
PRO A  92
 None
 1.37A 1cmcA-4bz4A:
undetectable
1cmcB-4bz4A:
undetectable		 1cmcA-4bz4A:
17.75
1cmcB-4bz4A:
17.75
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.
4cak INTEGRIN ALPHA-IIB
INTEGRIN BETA-3

(Homo sapiens;
Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2)
PF00362
(Integrin_beta)
PF07965
(Integrin_B_tail)
PF07974
(EGF_2)
PF17205
(PSI_integrin) 		5 GLY A 282
GLU B 500
LEU B 502
GLU B 475
LEU A 663
 NAG  B3320 (-4.3A)
None
None
None
None
 1.13A 1cmcA-4cakA:
undetectable
1cmcB-4cakA:
undetectable		 1cmcA-4cakA:
8.72
1cmcB-4cakA:
8.72
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.
4egs RIBOSE 5-PHOSPHATE
ISOMERASE RPIB

(Caldanaerobacter
subterraneus) 		PF01451
(LMWPc) 		5 ALA A  17
PHE A  21
GLY A  19
LEU A  83
LEU A 135
 ALA  A  17 ( 0.0A)
PHE  A  21 ( 1.3A)
GLY  A  19 ( 0.0A)
LEU  A  83 ( 0.6A)
LEU  A 135 ( 0.6A)
 1.11A 1cmcA-4egsA:
undetectable
1cmcB-4egsA:
undetectable		 1cmcA-4egsA:
21.20
1cmcB-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.
4g92 TRANSCRIPTION FACTOR
HAPC (EUROFUNG)
HAPE

(Aspergillus
nidulans;
Aspergillus
nidulans) 		PF00808
(CBFD_NFYB_HMF)
PF00808
(CBFD_NFYB_HMF) 		5 ALA C 114
PHE C 113
LEU B  48
HIS C  85
LEU C  89
 None
 1.24A 1cmcA-4g92C:
undetectable
1cmcB-4g92C:
undetectable		 1cmcA-4g92C:
19.05
1cmcB-4g92C:
19.05
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.
4hh8 BUTYROPHILIN
SUBFAMILY 1 MEMBER
A1

(Bos taurus) 		PF07686
(V-set)
PF08205
(C2-set_2) 		5 PHE A  99
GLU A  36
ARG A  52
LEU A  50
GLU A  60
 None
 1.15A 1cmcA-4hh8A:
undetectable
1cmcB-4hh8A:
undetectable		 1cmcA-4hh8A:
17.27
1cmcB-4hh8A:
17.27
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.
4hvt POST-PROLINE
CLEAVING ENZYME

(Rickettsia
typhi) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 GLY A 151
GLU A  31
LEU A  36
GLU A 676
PRO A 654
 None
 1.32A 1cmcA-4hvtA:
undetectable
1cmcB-4hvtA:
undetectable		 1cmcA-4hvtA:
8.78
1cmcB-4hvtA:
8.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n78 CYTOPLASMIC
FMR1-INTERACTING
PROTEIN 1
WISKOTT-ALDRICH
SYNDROME PROTEIN
FAMILY MEMBER 1

(Homo sapiens;
Homo sapiens) 		PF05994
(FragX_IP)
PF07159
(DUF1394)
PF02205
(WH2) 		5 ALA A1003
ARG D 498
LEU A 940
GLU A 999
LEU A 852
 None
 1.29A 1cmcA-4n78A:
undetectable
1cmcB-4n78A:
undetectable		 1cmcA-4n78A:
7.13
1cmcB-4n78A:
7.13
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.
4q34 UNCHARACTERIZED
PROTEIN

(Parabacteroides
distasonis) 		PF12697
(Abhydrolase_6) 		5 PHE A  76
GLY A  74
GLU A  81
LEU A 103
HIS A 193
 None
None
GOL  A 404 (-3.6A)
None
None
 1.24A 1cmcA-4q34A:
undetectable
1cmcB-4q34A:
undetectable		 1cmcA-4q34A:
18.46
1cmcB-4q34A:
18.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qkf ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE ALKB
HOMOLOG 7,
MITOCHONDRIAL

(Homo sapiens) 		PF13532
(2OG-FeII_Oxy_2) 		5 GLY A  72
GLU A 184
LEU A 180
GLU A 178
PRO A 120
 None
 1.34A 1cmcA-4qkfA:
undetectable
1cmcB-4qkfA:
undetectable		 1cmcA-4qkfA:
19.60
1cmcB-4qkfA:
19.60
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.
4qww ACETYLCHOLINESTERASE

(Bungarus
fasciatus) 		PF00135
(COesterase) 		5 ALA A 245
GLY A 243
GLU A 278
LEU A 274
LEU A 156
 None
 1.41A 1cmcA-4qwwA:
undetectable
1cmcB-4qwwA:
undetectable		 1cmcA-4qwwA:
10.93
1cmcB-4qwwA:
10.93
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.
4tzo PROTEIN HTP-1
C. ELEGANS HIM-3
CLOSURE MOTIF

(Caenorhabditis
elegans;
Caenorhabditis
elegans) 		PF02301
(HORMA)
no annotation 		5 ALA A 195
GLY B 284
ARG A  57
LEU A 189
GLU A 123
 None
 1.41A 1cmcA-4tzoA:
undetectable
1cmcB-4tzoA:
undetectable		 1cmcA-4tzoA:
19.44
1cmcB-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.
4uc0 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Agrobacterium
vitis) 		PF01048
(PNP_UDP_1) 		5 ALA A 212
PHE A 215
GLY A 216
GLU A 208
PRO A 207
 None
 1.27A 1cmcA-4uc0A:
undetectable
1cmcB-4uc0A:
undetectable		 1cmcA-4uc0A:
14.09
1cmcB-4uc0A:
14.09
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.
4ut1 FLAGELLAR
HOOK-ASSOCIATED
PROTEIN

(Burkholderia
pseudomallei) 		PF06429
(Flg_bbr_C) 		5 ALA A 424
PHE A 428
GLY A 427
LEU A 304
PRO A 360
 None
None
EDO  A1645 ( 4.3A)
None
None
 1.32A 1cmcA-4ut1A:
undetectable
1cmcB-4ut1A:
undetectable		 1cmcA-4ut1A:
10.20
1cmcB-4ut1A:
10.20
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.
4we6 HEMAGGLUTININ HA1
CHAIN

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		5 ALA A  73
PHE A  47
GLY A  76
GLU A  49
ARG A 229
 None
 1.33A 1cmcA-4we6A:
undetectable
1cmcB-4we6A:
undetectable		 1cmcA-4we6A:
18.68
1cmcB-4we6A:
18.68
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.
4xly UNCHARACTERIZED
PROTEIN BLR2150

(Bradyrhizobium
diazoefficiens) 		no annotation 5 ALA A 167
ARG A 113
LEU A 129
GLU A  67
LEU A  71
 ECP  A 700 (-3.3A)
None
None
None
ECP  A 700 (-3.3A)
 1.25A 1cmcA-4xlyA:
0.4
1cmcB-4xlyA:
0.3		 1cmcA-4xlyA:
18.51
1cmcB-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.
4xwl EXOGLUCANASE S

(Clostridium
cellulovorans) 		PF02011
(Glyco_hydro_48) 		5 ALA A 108
GLY A 372
LEU A 120
HIS A 110
PRO A 117
 EDO  A 717 ( 3.8A)
None
None
EDO  A 717 (-4.1A)
None
 1.38A 1cmcA-4xwlA:
undetectable
1cmcB-4xwlA:
undetectable		 1cmcA-4xwlA:
9.70
1cmcB-4xwlA:
9.70
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.
4zrv MINCLE CRD

(Bos taurus) 		PF00059
(Lectin_C) 		5 ALA A 179
GLY A 139
GLU A 135
GLU A 176
PRO A 195
 None
None
4RS  A 301 (-3.1A)
4RS  A 301 (-2.5A)
None
 1.36A 1cmcA-4zrvA:
undetectable
1cmcB-4zrvA:
undetectable		 1cmcA-4zrvA:
20.15
1cmcB-4zrvA:
20.15
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.
5bwi GLYCOSIDE HYDROLASE
FAMILY 79

(Burkholderia
pseudomallei) 		PF12891
(Glyco_hydro_44) 		5 ALA A 353
GLY A 357
LEU A 335
LEU A  19
PRO A  20
 None
 1.39A 1cmcA-5bwiA:
undetectable
1cmcB-5bwiA:
undetectable		 1cmcA-5bwiA:
10.23
1cmcB-5bwiA:
10.23
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.
5ca5 NONO-1

(Caenorhabditis
elegans) 		PF00076
(RRM_1)
PF08075
(NOPS) 		5 ALA A 153
PHE A 154
GLY A 121
GLU A 129
LEU A 147
 None
 1.42A 1cmcA-5ca5A:
undetectable
1cmcB-5ca5A:
undetectable		 1cmcA-5ca5A:
18.99
1cmcB-5ca5A:
18.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cx8 LIPOPROTEIN RAGB

(Porphyromonas
gingivalis) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 ALA A 150
PHE A 148
GLY A 152
LEU A 220
PRO A 221
 None
 1.32A 1cmcA-5cx8A:
undetectable
1cmcB-5cx8A:
undetectable		 1cmcA-5cx8A:
11.85
1cmcB-5cx8A:
11.85
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.
5ej1 PUTATIVE CELLULOSE
SYNTHASE

(Rhodobacter
sphaeroides) 		PF03170
(BcsB) 		5 ALA B 365
GLY B 363
ARG B 334
LEU B 368
PRO B 369
 None
 1.16A 1cmcA-5ej1B:
undetectable
1cmcB-5ej1B:
undetectable		 1cmcA-5ej1B:
10.42
1cmcB-5ej1B:
10.42
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.
5gzh ENDO-BETA-1,2-GLUCAN
ASE

(Chitinophaga
pinensis) 		PF10091
(Glycoamylase) 		5 ALA A 221
GLY A 226
ARG A 154
LEU A 151
PRO A 424
 None
 1.37A 1cmcA-5gzhA:
undetectable
1cmcB-5gzhA:
undetectable		 1cmcA-5gzhA:
13.42
1cmcB-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.
5hzw MALTOSE-BINDING
PERIPLASMIC
PROTEIN,ENDOGLIN

(Escherichia
coli;
Homo sapiens) 		PF13416
(SBP_bac_8) 		5 ALA A 560
PHE A 468
GLY A 452
LEU A 562
PRO A 565
 None
 1.33A 1cmcA-5hzwA:
undetectable
1cmcB-5hzwA:
undetectable		 1cmcA-5hzwA:
10.14
1cmcB-5hzwA:
10.14
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.
5ik8 LAMININ SUBUNIT
ALPHA-2

(Mus musculus) 		PF00054
(Laminin_G_1)
PF02210
(Laminin_G_2) 		5 ALA A2946
PHE A3061
GLY A3063
LEU A3105
LEU A3107
 None
 1.34A 1cmcA-5ik8A:
undetectable
1cmcB-5ik8A:
undetectable		 1cmcA-5ik8A:
13.39
1cmcB-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 ALA A 438
GLU A 427
GLU A 434
LEU A 449
PRO A 450
 None
 1.18A 1cmcA-5itgA:
undetectable
1cmcB-5itgA:
undetectable		 1cmcA-5itgA:
13.72
1cmcB-5itgA:
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.
5kan HEMAGGLUTININ HA1

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		5 ALA A 113
PHE A  87
GLY A 116
GLU A  89
ARG A 269
 None
 1.35A 1cmcA-5kanA:
undetectable
1cmcB-5kanA:
undetectable		 1cmcA-5kanA:
14.24
1cmcB-5kanA:
14.24
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.
5mso CARBOXYLIC ACID
REDUCTASE

(Mycobacterium
marinum) 		PF07993
(NAD_binding_4) 		5 ALA A 795
GLY A 791
GLU A 800
LEU A 843
LEU A 809
 None
NAP  A1201 (-3.8A)
None
None
None
 1.23A 1cmcA-5msoA:
undetectable
1cmcB-5msoA:
undetectable		 1cmcA-5msoA:
6.81
1cmcB-5msoA:
6.81
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.
5ogx CYTOCHROME P450
REDUCTASE

(Amycolatopsis
methanolica) 		no annotation 5 ALA A  72
GLY A  70
HIS A  54
LEU A  62
PRO A  58
 None
 1.39A 1cmcA-5ogxA:
undetectable
1cmcB-5ogxA:
undetectable		 1cmcA-5ogxA:
undetectable
1cmcB-5ogxA:
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.
5oie -

(-) 		no annotation 5 GLY A 220
LEU A 229
GLU A 230
LEU A 199
PRO A 200
 None
 0.91A 1cmcA-5oieA:
undetectable
1cmcB-5oieA:
undetectable		 1cmcA-5oieA:
undetectable
1cmcB-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.
5ov6 PORPHOBILINOGEN
DEAMINASE

(Bacillus
megaterium) 		PF01379
(Porphobil_deam)
PF03900
(Porphobil_deamC) 		5 ALA A 164
GLY A 124
GLU A 112
LEU A 117
PRO A 118
 None
 1.15A 1cmcA-5ov6A:
undetectable
1cmcB-5ov6A:
undetectable		 1cmcA-5ov6A:
16.83
1cmcB-5ov6A:
16.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5twt PEROXIDASE PVI9

(Panicum
virgatum) 		PF00141
(peroxidase) 		5 ALA A 172
GLY A 170
LEU A 175
LEU A 233
PRO A 139
 HEM  A 301 (-3.0A)
HEM  A 301 (-3.0A)
None
HEM  A 301 (-4.2A)
HEM  A 301 ( 3.5A)
 1.31A 1cmcA-5twtA:
undetectable
1cmcB-5twtA:
undetectable		 1cmcA-5twtA:
15.85
1cmcB-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.
5udb DNA REPLICATION
LICENSING FACTOR
MCM3

(Saccharomyces
cerevisiae) 		PF00493
(MCM)
PF17207
(MCM_OB) 		5 GLY 3 436
ARG 3 291
LEU 3 428
GLU 3 263
PRO 3 262
 None
 1.26A 1cmcA-5udb3:
undetectable
1cmcB-5udb3:
undetectable		 1cmcA-5udb3:
7.81
1cmcB-5udb3:
7.81
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.
5umn HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		5 ALA A 113
PHE A  87
GLY A 116
GLU A  89
ARG A 269
 None
 1.33A 1cmcA-5umnA:
undetectable
1cmcB-5umnA:
undetectable		 1cmcA-5umnA:
15.41
1cmcB-5umnA:
15.41
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.
5uuo GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN

(Novosphingobium
aromaticivorans) 		no annotation 5 ALA B 130
PHE B 136
GLY B 134
GLU B  68
LEU B 214
 None
 1.24A 1cmcA-5uuoB:
undetectable
1cmcB-5uuoB:
undetectable		 1cmcA-5uuoB:
undetectable
1cmcB-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.
5vj1 MDCA

(Pseudomonas
aeruginosa) 		PF16957
(Mal_decarbox_Al) 		5 ALA A 300
GLY A 304
LEU A 270
GLU A 269
LEU A 297
 None
 1.25A 1cmcA-5vj1A:
undetectable
1cmcB-5vj1A:
undetectable		 1cmcA-5vj1A:
12.33
1cmcB-5vj1A:
12.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xl2 HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		5 ALA A 109
PHE A  83
GLY A 112
GLU A  85
GLU A 394
 None
 1.26A 1cmcA-5xl2A:
undetectable
1cmcB-5xl2A:
undetectable		 1cmcA-5xl2A:
12.74
1cmcB-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.
5xrt -

(-) 		no annotation 5 ALA A 113
PHE A  87
GLY A 116
GLU A  89
ARG A 269
 None
 1.42A 1cmcA-5xrtA:
undetectable
1cmcB-5xrtA:
undetectable		 1cmcA-5xrtA:
undetectable
1cmcB-5xrtA:
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.
5xww AMPHB

(Streptomyces
nodosus) 		no annotation 5 ALA A 235
GLY A 226
GLU A 265
LEU A 269
GLU A 240
 None
 1.31A 1cmcA-5xwwA:
undetectable
1cmcB-5xwwA:
undetectable		 1cmcA-5xwwA:
undetectable
1cmcB-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.
6bkp HEMAGGLUTININ

(Influenza A
virus) 		no annotation 5 ALA A 113
PHE A  87
GLY A 116
GLU A  89
ARG A 269
 None
 1.35A 1cmcA-6bkpA:
undetectable
1cmcB-6bkpA:
undetectable		 1cmcA-6bkpA:
undetectable
1cmcB-6bkpA:
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.
6d0n CLC-TYPE
FLUORIDE/PROTON
ANTIPORTER

(Enterococcus
casseliflavus) 		no annotation 5 ALA A 356
GLY A 354
GLU A 318
LEU A 240
PRO A 397
 None
 1.14A 1cmcA-6d0nA:
undetectable
1cmcB-6d0nA:
undetectable		 1cmcA-6d0nA:
undetectable
1cmcB-6d0nA:
undetectable