SIMILAR PATTERNS OF AMINO ACIDS FOR 1CMC_B_SAMB105

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.
1akm ORNITHINE
TRANSCARBAMYLASE

(Escherichia
coli) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 GLU A 174
LEU A 197
GLU A 200
ALA A 177
GLY A 180
 None
 1.25A 1cmcA-1akmA:
undetectable
1cmcB-1akmA:
undetectable		 1cmcA-1akmA:
15.32
1cmcB-1akmA:
15.32
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.
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
 0.81A 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.
1cz4 VCP-LIKE ATPASE

(Thermoplasma
acidophilum) 		PF02359
(CDC48_N)
PF02933
(CDC48_2) 		5 GLU A  43
ARG A  88
LEU A 130
GLU A 131
GLY A  78
 None
 1.21A 1cmcA-1cz4A:
undetectable
1cmcB-1cz4A:
undetectable		 1cmcA-1cz4A:
18.48
1cmcB-1cz4A:
18.48
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.
1gg4 UDP-N-ACETYLMURAMOYL
ALANYL-D-GLUTAMYL-2,
6-DIAMINOPIMELATE-D-
ALANYL-D-ALANYL
LIGASE

(Escherichia
coli) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 LEU A  39
LEU A  75
ALA A  62
PHE A  40
GLY A  60
 None
 1.37A 1cmcA-1gg4A:
undetectable
1cmcB-1gg4A:
undetectable		 1cmcA-1gg4A:
11.95
1cmcB-1gg4A:
11.95
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.
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
 1.32A 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 GLU A 177
LEU A  72
ALA A 179
PHE A 181
GLY A 245
 CMP  A 901 (-3.9A)
None
None
None
None
 1.40A 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  42
ARG A  43
LEU A  56
GLU A  59
HIS A  63
LEU A  70
 None
None
None
None
None
SAM  A 200 ( 2.9A)
None
 0.31A 1cmcA-1mjlA:
19.0
1cmcB-1mjlA:
18.7		 1cmcA-1mjlA:
99.04
1cmcB-1mjlA:
99.04
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  42
ARG A  43
LEU A  70
ALA A  60
 None
 1.36A 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 LEU A 245
HIS A 251
ALA A 313
PHE A 311
GLY A 315
 None
 1.35A 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 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)
 1.32A 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.
1pko MYELIN
OLIGODENDROCYTE
GLYCOPROTEIN

(Rattus
norvegicus) 		PF07686
(V-set) 		5 GLU A  36
ARG A 101
ARG A  52
LEU A  50
GLU A  60
 None
 1.21A 1cmcA-1pkoA:
undetectable
1cmcB-1pkoA:
undetectable		 1cmcA-1pkoA:
23.57
1cmcB-1pkoA:
23.57
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.
1ulq PUTATIVE ACETYL-COA
ACETYLTRANSFERASE

(Thermus
thermophilus) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ARG A 200
ARG A 194
HIS A 189
ALA A 353
GLY A 355
 None
 1.43A 1cmcA-1ulqA:
undetectable
1cmcB-1ulqA:
undetectable		 1cmcA-1ulqA:
19.73
1cmcB-1ulqA:
19.73
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.
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
 1.23A 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.
1w6j LANOSTEROL SYNTHASE

(Homo sapiens) 		PF13243
(SQHop_cyclase_C)
PF13249
(SQHop_cyclase_N) 		5 GLU A 578
ARG A 639
GLU A 532
PHE A 585
GLY A 575
 None
 1.27A 1cmcA-1w6jA:
undetectable
1cmcB-1w6jA:
undetectable		 1cmcA-1w6jA:
11.57
1cmcB-1w6jA:
11.57
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.
1wac P2 PROTEIN

(Pseudomonas
virus phi6) 		PF00680
(RdRP_1) 		5 ARG A 146
LEU A 643
ALA A 623
PHE A 546
GLY A 548
 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.
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
 1.10A 1cmcA-1xdpA:
undetectable
1cmcB-1xdpA:
undetectable		 1cmcA-1xdpA:
9.53
1cmcB-1xdpA:
9.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yc9 MULTIDRUG RESISTANCE
PROTEIN

(Vibrio cholerae) 		PF02321
(OEP) 		5 ARG A 310
GLU A 177
ALA A 101
PHE A 104
GLY A 103
 None
 1.38A 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 GLU A 170
ARG A 310
GLU A 177
ALA A 101
GLY A 103
 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.
2amc PHENYLALANYL-TRNA
SYNTHETASE ALPHA
CHAIN
PHENYLALANYL-TRNA
SYNTHETASE BETA
CHAIN

(Thermus
thermophilus;
Thermus
thermophilus) 		PF01409
(tRNA-synt_2d)
PF01409
(tRNA-synt_2d)
PF01588
(tRNA_bind)
PF03147
(FDX-ACB)
PF03483
(B3_4)
PF03484
(B5) 		5 GLU B 462
ARG B 450
GLU A 262
ALA B 464
GLY B 468
 None
None
MG  A 901 (-2.7A)
None
None
 1.42A 1cmcA-2amcB:
undetectable
1cmcB-2amcB:
undetectable		 1cmcA-2amcB:
7.99
1cmcB-2amcB:
7.99
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.
2arh HYPOTHETICAL PROTEIN
AQ_1966

(Aquifex
aeolicus) 		PF06557
(DUF1122) 		5 ARG A 191
GLU A 110
LEU A 184
PHE A 172
GLY A 177
 None
 1.02A 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.
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
 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 GLU A  72
LEU A  94
LEU A  64
ALA A   7
GLY A  40
 None
 1.29A 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.
2fbq PROBABLE
TRANSCRIPTIONAL
REGULATOR

(Pseudomonas
aeruginosa) 		PF00440
(TetR_N) 		5 GLU A  71
ARG A  74
ARG A  75
LEU A  92
ALA A  99
 None
 1.24A 1cmcA-2fbqA:
undetectable
1cmcB-2fbqA:
undetectable		 1cmcA-2fbqA:
20.75
1cmcB-2fbqA:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fwv HYPOTHETICAL PROTEIN
MTUBF_01000852

(Mycobacterium
tuberculosis) 		PF08768
(DUF1794) 		5 GLU A 157
ARG A 190
LEU A 149
GLU A 126
GLY A 182
 None
DIO  A 501 (-3.7A)
None
DIO  A 501 (-3.2A)
None
 1.16A 1cmcA-2fwvA:
undetectable
1cmcB-2fwvA:
undetectable		 1cmcA-2fwvA:
18.85
1cmcB-2fwvA:
18.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 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 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)
 0.98A 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.
2hi0 PUTATIVE
PHOSPHOGLYCOLATE
PHOSPHATASE

(Lactobacillus
delbrueckii) 		PF13419
(HAD_2) 		5 GLU A  88
ARG A  91
LEU A  59
GLU A  62
ALA A  83
 None
 0.85A 1cmcA-2hi0A:
undetectable
1cmcB-2hi0A:
undetectable		 1cmcA-2hi0A:
17.11
1cmcB-2hi0A:
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.
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
 1.33A 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 GLU A  45
LEU A  19
LEU A  10
ALA A  30
GLY A  53
 None
 1.24A 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.
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
 1.24A 1cmcA-2paaA:
undetectable
1cmcB-2paaA:
undetectable		 1cmcA-2paaA:
13.86
1cmcB-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.
2q27 OXALYL-COA
DECARBOXYLASE

(Escherichia
coli) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ARG A 501
GLU A 521
HIS A 524
ALA A 525
GLY A 529
 SO4  A2003 ( 3.3A)
None
None
None
None
 1.11A 1cmcA-2q27A:
undetectable
1cmcB-2q27A:
undetectable		 1cmcA-2q27A:
9.69
1cmcB-2q27A:
9.69
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.
2qve TYROSINE AMINOMUTASE

(Streptomyces
globisporus) 		PF00221
(Lyase_aromatic) 		5 GLU A 199
ARG A 196
GLU A  53
ALA A 123
GLY A 120
 None
 1.24A 1cmcA-2qveA:
undetectable
1cmcB-2qveA:
undetectable		 1cmcA-2qveA:
11.20
1cmcB-2qveA:
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.
2qzj TWO-COMPONENT
RESPONSE REGULATOR

(Clostridioides
difficile) 		PF00072
(Response_reg) 		5 ARG A  71
LEU A  54
LEU A   8
ALA A  40
GLY A  42
 None
 1.12A 1cmcA-2qzjA:
undetectable
1cmcB-2qzjA:
undetectable		 1cmcA-2qzjA:
20.74
1cmcB-2qzjA:
20.74
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.
2rhq PHENYLALANYL-TRNA
SYNTHETASE ALPHA
CHAIN
PHENYLALANYL-TRNA
SYNTHETASE BETA
CHAIN

(Staphylococcus
haemolyticus;
Staphylococcus
haemolyticus) 		PF01409
(tRNA-synt_2d)
PF01588
(tRNA_bind)
PF03147
(FDX-ACB)
PF03483
(B3_4)
PF03484
(B5) 		5 GLU B 471
ARG B 459
GLU A 258
ALA B 473
GLY B 477
 None
 1.26A 1cmcA-2rhqB:
undetectable
1cmcB-2rhqB:
undetectable		 1cmcA-2rhqB:
10.60
1cmcB-2rhqB:
10.60
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.
2wda PUTATIVE SECRETED
LYASE

(Streptomyces
violaceoruber) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		5 LEU A 530
HIS A 398
ALA A 508
PHE A 528
GLY A 501
 None
 1.27A 1cmcA-2wdaA:
undetectable
1cmcB-2wdaA:
undetectable		 1cmcA-2wdaA:
7.04
1cmcB-2wdaA:
7.04
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.
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
 1.34A 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 ARG A  79
LEU A  80
GLU A 453
ALA A 448
GLY A 443
 None
None
None
FAD  A 600 (-3.5A)
FAD  A 600 (-4.3A)
 1.30A 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.
3bo5 HISTONE-LYSINE
N-METHYLTRANSFERASE
SETMAR

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 GLU A 163
ARG A 166
ARG A 167
GLU A 157
ALA A  49
 None
 1.24A 1cmcA-3bo5A:
undetectable
1cmcB-3bo5A:
undetectable		 1cmcA-3bo5A:
14.44
1cmcB-3bo5A:
14.44
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.
3bo5 HISTONE-LYSINE
N-METHYLTRANSFERASE
SETMAR

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 GLU A 163
ARG A 166
ARG A 167
LEU A 159
GLU A 157
 None
 0.92A 1cmcA-3bo5A:
undetectable
1cmcB-3bo5A:
undetectable		 1cmcA-3bo5A:
14.44
1cmcB-3bo5A:
14.44
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.
3bxw CHITINASE
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		no annotation 5 ARG B  26
LEU B  28
GLU B  41
HIS B  42
GLY B 363
 None
 1.40A 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.
3eof PUTATIVE
OXIDOREDUCTASE

(Bacteroides
fragilis) 		PF00881
(Nitroreductase) 		5 ARG A  49
LEU A  74
LEU A  27
ALA A 120
GLY A 124
 None
 1.18A 1cmcA-3eofA:
undetectable
1cmcB-3eofA:
undetectable		 1cmcA-3eofA:
18.07
1cmcB-3eofA:
18.07
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.
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
 1.28A 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.
3fdh SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF12771
(SusD-like_2) 		5 ARG A 460
ARG A 229
LEU A 143
ALA A  58
GLY A  60
 None
 1.09A 1cmcA-3fdhA:
undetectable
1cmcB-3fdhA:
undetectable		 1cmcA-3fdhA:
12.96
1cmcB-3fdhA:
12.96
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.
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
 1.23A 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.
3gfm 146AA LONG
HYPOTHETICAL
TRANSCRIPTIONAL
REGULATOR

(Sulfurisphaera
tokodaii) 		PF13463
(HTH_27) 		5 GLU A  25
ARG A  28
ARG A  29
LEU A 114
GLU A 117
 None
 0.99A 1cmcA-3gfmA:
undetectable
1cmcB-3gfmA:
undetectable		 1cmcA-3gfmA:
20.27
1cmcB-3gfmA:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h1l MITOCHONDRIAL
UBIQUINOL-CYTOCHROME
-C REDUCTASE COMPLEX
CORE PROTEIN I

(Gallus gallus) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		5 ARG A 233
LEU A 163
LEU A 319
ALA A 157
GLY A 238
 None
 1.18A 1cmcA-3h1lA:
undetectable
1cmcB-3h1lA:
undetectable		 1cmcA-3h1lA:
14.29
1cmcB-3h1lA:
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.
3icj UNCHARACTERIZED
METAL-DEPENDENT
HYDROLASE

(Pyrococcus
furiosus) 		PF07969
(Amidohydro_3) 		5 ARG A 489
LEU A 288
ALA A 265
PHE A 264
GLY A 292
 None
 1.27A 1cmcA-3icjA:
undetectable
1cmcB-3icjA:
undetectable		 1cmcA-3icjA:
11.60
1cmcB-3icjA:
11.60
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.
3kao TAGATOSE
1,6-DIPHOSPHATE
ALDOLASE

(Staphylococcus
aureus) 		PF01791
(DeoC) 		5 GLU A  59
ARG A 301
ARG A 297
LEU A  55
ALA A  80
 None
 1.28A 1cmcA-3kaoA:
undetectable
1cmcB-3kaoA:
undetectable		 1cmcA-3kaoA:
16.31
1cmcB-3kaoA:
16.31
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.
3lop SUBSTRATE BINDING
PERIPLASMIC PROTEIN

(Ralstonia
solanacearum) 		PF13458
(Peripla_BP_6) 		5 GLU A 328
ARG A 331
ARG A 332
LEU A 349
GLY A 356
 None
 0.92A 1cmcA-3lopA:
undetectable
1cmcB-3lopA:
undetectable		 1cmcA-3lopA:
15.31
1cmcB-3lopA:
15.31
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.
3lop SUBSTRATE BINDING
PERIPLASMIC PROTEIN

(Ralstonia
solanacearum) 		PF13458
(Peripla_BP_6) 		5 GLU A 328
ARG A 331
ARG A 332
LEU A 349
GLY A 357
 None
None
None
None
EDO  A 404 ( 4.6A)
 1.09A 1cmcA-3lopA:
undetectable
1cmcB-3lopA:
undetectable		 1cmcA-3lopA:
15.31
1cmcB-3lopA:
15.31
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.
3ns1 XANTHINE
DEHYDROGENASE/OXIDAS
E

(Bos taurus) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		5 GLU B 416
LEU B 441
GLU B 451
ALA B 453
GLY B 437
 None
 1.41A 1cmcA-3ns1B:
undetectable
1cmcB-3ns1B:
undetectable		 1cmcA-3ns1B:
16.16
1cmcB-3ns1B:
16.16
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.
3p2c PUTATIVE GLYCOSYL
HYDROLASE

(Bacteroides
ovatus) 		PF06824
(Glyco_hydro_125) 		5 GLU A 340
ARG A 269
LEU A 277
LEU A 349
ALA A 338
 None
 1.32A 1cmcA-3p2cA:
undetectable
1cmcB-3p2cA:
undetectable		 1cmcA-3p2cA:
15.22
1cmcB-3p2cA:
15.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p2m POSSIBLE HYDROLASE

(Mycobacterium
tuberculosis) 		PF12697
(Abhydrolase_6) 		5 LEU A 109
HIS A  95
LEU A  75
ALA A  94
GLY A 117
 None
 1.40A 1cmcA-3p2mA:
undetectable
1cmcB-3p2mA:
undetectable		 1cmcA-3p2mA:
15.96
1cmcB-3p2mA:
15.96
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.
3plr UDP-GLUCOSE
6-DEHYDROGENASE

(Klebsiella
pneumoniae) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		5 ARG A 144
ARG A 147
GLU A  49
LEU A 149
GLY A  12
 None
 1.35A 1cmcA-3plrA:
undetectable
1cmcB-3plrA:
undetectable		 1cmcA-3plrA:
13.67
1cmcB-3plrA:
13.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qt3 PUTATIVE
UNCHARACTERIZED
PROTEIN CPE0426

(Clostridium
perfringens) 		PF06824
(Glyco_hydro_125) 		5 GLU A  82
LEU A   8
ALA A  85
PHE A  87
GLY A  89
 None
 1.33A 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.
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
 1.43A 1cmcA-3r3sA:
undetectable
1cmcB-3r3sA:
undetectable		 1cmcA-3r3sA:
15.49
1cmcB-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.
3t6p BACULOVIRAL IAP
REPEAT-CONTAINING
PROTEIN 2

(Homo sapiens) 		PF00619
(CARD)
PF00653
(BIR)
PF13920
(zf-C3HC4_3) 		5 GLU A 560
ARG A 563
ARG A 564
LEU A 556
GLU A 551
 None
 1.04A 1cmcA-3t6pA:
undetectable
1cmcB-3t6pA:
undetectable		 1cmcA-3t6pA:
14.58
1cmcB-3t6pA:
14.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.19A 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.
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
 1.18A 1cmcA-3v8vA:
undetectable
1cmcB-3v8vA:
undetectable		 1cmcA-3v8vA:
12.77
1cmcB-3v8vA:
12.77
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.
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
 1.30A 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.
3zla NUCLEOPROTEIN

(Bunyamwera
orthobunyavirus) 		PF00952
(Bunya_nucleocap) 		5 ARG A 101
GLU A  20
ALA A  22
PHE A  26
GLY A  89
 None
 1.14A 1cmcA-3zlaA:
undetectable
1cmcB-3zlaA:
undetectable		 1cmcA-3zlaA:
21.76
1cmcB-3zlaA:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 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 ARG A  70
LEU A  71
GLU A 444
ALA A 439
GLY A 434
 None
None
None
FAD  A 600 (-3.5A)
FAD  A 600 (-4.3A)
 1.30A 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.
4a39 METALLO-CARBOXYPEPTI
DASE

(Pseudomonas
aeruginosa) 		PF00246
(Peptidase_M14) 		5 GLU A 174
HIS A 171
ALA A 212
PHE A 213
GLY A 215
 None
 1.44A 1cmcA-4a39A:
undetectable
1cmcB-4a39A:
undetectable		 1cmcA-4a39A:
13.59
1cmcB-4a39A:
13.59
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.
4bfr PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC S
SUBUNIT BETA ISOFORM

(Mus musculus) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd) 		5 GLU A 981
ARG A 977
LEU A1032
ALA A 983
GLY A 901
 None
 1.29A 1cmcA-4bfrA:
undetectable
1cmcB-4bfrA:
undetectable		 1cmcA-4bfrA:
7.47
1cmcB-4bfrA:
7.47
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.
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 GLU B 500
LEU B 502
GLU B 475
LEU A 663
GLY A 282
 None
None
None
None
NAG  B3320 (-4.3A)
 1.10A 1cmcA-4cakB:
undetectable
1cmcB-4cakB:
undetectable		 1cmcA-4cakB:
9.88
1cmcB-4cakB:
9.88
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.
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)
 1.15A 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 LEU B  48
HIS C  85
LEU C  89
ALA C 114
PHE C 113
 None
 1.23A 1cmcA-4g92B:
undetectable
1cmcB-4g92B:
undetectable		 1cmcA-4g92B:
18.42
1cmcB-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
 1.39A 1cmcA-4glfA:
undetectable
1cmcB-4glfA:
undetectable		 1cmcA-4glfA:
16.49
1cmcB-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
 1.17A 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.
4hh8 BUTYROPHILIN
SUBFAMILY 1 MEMBER
A1

(Bos taurus) 		PF07686
(V-set)
PF08205
(C2-set_2) 		5 GLU A  36
ARG A 101
ARG A  52
GLU A  60
ALA A  47
 None
 1.06A 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.
4hh8 BUTYROPHILIN
SUBFAMILY 1 MEMBER
A1

(Bos taurus) 		PF07686
(V-set)
PF08205
(C2-set_2) 		5 GLU A  36
ARG A 101
ARG A  52
LEU A  50
GLU A  60
 None
 1.27A 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.
4joc LYSOPHOSPHATIDIC
ACID PHOSPHATASE
TYPE 6

(Homo sapiens) 		PF00328
(His_Phos_2) 		5 GLU A 171
ARG A 174
LEU A 124
LEU A  81
PHE A 167
 None
 1.26A 1cmcA-4jocA:
undetectable
1cmcB-4jocA:
undetectable		 1cmcA-4jocA:
15.05
1cmcB-4jocA:
15.05
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.
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
 1.04A 1cmcA-4mbgB:
undetectable
1cmcB-4mbgB:
undetectable		 1cmcA-4mbgB:
13.00
1cmcB-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.
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 ARG D 498
LEU A 940
GLU A 999
LEU A 852
ALA A1003
 None
 1.30A 1cmcA-4n78D:
undetectable
1cmcB-4n78D:
undetectable		 1cmcA-4n78D:
12.33
1cmcB-4n78D:
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.
4oo0 MAF-LIKE PROTEIN
BCAL2394

(Burkholderia
cenocepacia) 		PF02545
(Maf) 		5 GLU A 184
ARG A 162
ALA A 153
PHE A 185
GLY A 122
 None
None
PO4  A 304 ( 4.0A)
None
PO4  A 304 (-3.5A)
 1.30A 1cmcA-4oo0A:
undetectable
1cmcB-4oo0A:
undetectable		 1cmcA-4oo0A:
26.25
1cmcB-4oo0A:
26.25
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.
4p7w L-PROLINE
CIS-4-HYDROXYLASE

(Mesorhizobium
japonicum) 		PF05118
(Asp_Arg_Hydrox)
PF05373
(Pro_3_hydrox_C) 		5 GLU A 247
ARG A 250
ARG A 251
LEU A 209
GLU A 206
 None
 0.83A 1cmcA-4p7wA:
undetectable
1cmcB-4p7wA:
undetectable		 1cmcA-4p7wA:
19.52
1cmcB-4p7wA:
19.52
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.
4qww ACETYLCHOLINESTERASE

(Bungarus
fasciatus) 		PF00135
(COesterase) 		5 GLU A 278
LEU A 274
LEU A 156
ALA A 245
GLY A 243
 None
 1.44A 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.
4r81 NADH DEHYDROGENASE

(Methanothermobacter
marburgensis) 		PF02525
(Flavodoxin_2) 		5 GLU A 183
ARG A 182
GLU A  18
ALA A  22
GLY A  26
 None
 1.44A 1cmcA-4r81A:
undetectable
1cmcB-4r81A:
undetectable		 1cmcA-4r81A:
18.18
1cmcB-4r81A:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 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 ARG A  57
LEU A 189
GLU A 123
ALA A 195
GLY B 284
 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.
4u7l LEUCINE-RICH REPEATS
AND
IMMUNOGLOBULIN-LIKE
DOMAINS PROTEIN 1

(Homo sapiens) 		PF01463
(LRRCT)
PF13855
(LRR_8) 		5 LEU A 224
LEU A 210
ALA A 214
PHE A 191
GLY A 188
 None
 1.40A 1cmcA-4u7lA:
undetectable
1cmcB-4u7lA:
undetectable		 1cmcA-4u7lA:
11.36
1cmcB-4u7lA:
11.36
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.
4we6 HEMAGGLUTININ HA1
CHAIN

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		5 GLU A  49
ARG A 229
ALA A  73
PHE A  47
GLY A  76
 None
 1.36A 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.
4xk8 CHLOROPHYLL A-B
BINDING PROTEIN 3,
CHLOROPLASTIC

(Pisum sativum) 		PF00504
(Chloroa_b-bind) 		5 ARG 3 226
LEU 3  62
LEU 3  51
ALA 3  54
PHE 3  72
 CLA  3 302 ( 3.4A)
CLA  3 302 (-4.0A)
None
None
XAT  3 317 ( 4.3A)
 1.43A 1cmcA-4xk83:
undetectable
1cmcB-4xk83:
undetectable		 1cmcA-4xk83:
14.35
1cmcB-4xk83:
14.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.31A 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.
4yxz DTOR_9X31L

(synthetic
construct) 		no annotation 5 GLU A 229
LEU A 233
LEU A 261
ALA A 251
GLY A 255
 None
 1.41A 1cmcA-4yxzA:
undetectable
1cmcB-4yxzA:
undetectable		 1cmcA-4yxzA:
18.08
1cmcB-4yxzA:
18.08
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.
5b5r GASDERMIN-A3

(Mus musculus) 		PF04598
(Gasdermin) 		5 GLU A 404
ARG A 423
GLU A 406
LEU A 409
GLY A 185
 None
 1.38A 1cmcA-5b5rA:
undetectable
1cmcB-5b5rA:
undetectable		 1cmcA-5b5rA:
12.50
1cmcB-5b5rA:
12.50
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.
5h2t TREHALOSE SYNTHASE

(Thermomonospora
curvata) 		no annotation 5 GLU A 246
ARG A 249
ARG A 204
LEU A 200
GLU A 197
 None
 1.34A 1cmcA-5h2tA:
undetectable
1cmcB-5h2tA:
undetectable		 1cmcA-5h2tA:
11.02
1cmcB-5h2tA:
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.
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
 1.34A 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.
5kan HEMAGGLUTININ HA1

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		5 GLU A  89
ARG A 269
ALA A 113
PHE A  87
GLY A 116
 None
 1.38A 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 GLU A 800
LEU A 843
LEU A 809
ALA A 795
GLY A 791
 None
None
None
None
NAP  A1201 (-3.8A)
 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.
5n8o DNA HELICASE I

(Escherichia
coli) 		PF07057
(TraI)
PF08751
(TrwC)
PF13604
(AAA_30) 		5 GLU A 890
ARG A1276
LEU A 875
ALA A 195
GLY A 197
 None
 1.10A 1cmcA-5n8oA:
undetectable
1cmcB-5n8oA:
undetectable		 1cmcA-5n8oA:
4.84
1cmcB-5n8oA:
4.84
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.
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
 1.18A 1cmcA-5op0B:
undetectable
1cmcB-5op0B:
undetectable		 1cmcA-5op0B:
17.30
1cmcB-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.
5umn HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		5 GLU A  89
ARG A 269
ALA A 113
PHE A  87
GLY A 116
 None
 1.35A 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 GLU B  68
LEU B 214
ALA B 130
PHE B 136
GLY B 134
 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 LEU A 270
GLU A 269
LEU A 297
ALA A 300
GLY A 304
 None
 1.26A 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 GLU A  85
GLU A 394
ALA A 109
PHE A  83
GLY A 112
 None
 1.29A 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 GLU A  89
ARG A 269
ALA A 113
PHE A  87
GLY A 116
 None
 1.44A 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 GLU A 265
LEU A 269
GLU A 240
ALA A 235
GLY A 226
 None
 1.35A 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 GLU A  89
ARG A 269
ALA A 113
PHE A  87
GLY A 116
 None
 1.37A 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.
6ci7 YCAO

(Methanopyrus
kandleri) 		no annotation 5 GLU A 132
ARG A 351
LEU A 142
ALA A 141
GLY A 139
 None
 1.44A 1cmcA-6ci7A:
undetectable
1cmcB-6ci7A:
undetectable		 1cmcA-6ci7A:
undetectable
1cmcB-6ci7A:
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.
6gdt -

(-) 		no annotation 5 GLU A 299
ARG A 333
LEU A 291
LEU A 286
GLY A 250
 None
 1.27A 1cmcA-6gdtA:
undetectable
1cmcB-6gdtA:
undetectable		 1cmcA-6gdtA:
undetectable
1cmcB-6gdtA:
undetectable