SIMILAR PATTERNS OF AMINO ACIDS FOR 1CMA_B_SAMB105_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.83A 1cmaA-1brwA:
undetectable
1cmaB-1brwA:
undetectable		 1cmaA-1brwA:
15.64
1cmaB-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.
1c7t BETA-N-ACETYLHEXOSAM
INIDASE

(Serratia
marcescens) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b)
PF03173
(CHB_HEX)
PF03174
(CHB_HEX_C) 		5 ARG A 454
LEU A 409
GLU A 405
HIS A 401
GLY A 416
 SO4  A2001 (-3.8A)
None
None
None
None
 1.18A 1cmaA-1c7tA:
undetectable
1cmaB-1c7tA:
undetectable		 1cmaA-1c7tA:
8.93
1cmaB-1c7tA:
8.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ge7 PEPTIDYL-LYS
METALLOENDOPEPTIDASE

(Grifola
frondosa) 		PF14521
(Aspzincin_M35) 		5 GLU A 118
GLU A 157
HIS A 156
HIS A  59
GLY A 126
 ZN  A 200 ( 4.2A)
None
None
None
None
 1.13A 1cmaA-1ge7A:
undetectable
1cmaB-1ge7A:
undetectable		 1cmaA-1ge7A:
20.00
1cmaB-1ge7A:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ge7 PEPTIDYL-LYS
METALLOENDOPEPTIDASE

(Grifola
frondosa) 		PF14521
(Aspzincin_M35) 		5 GLU A 118
GLU A 157
HIS A 156
HIS A  59
GLY A 127
 ZN  A 200 ( 4.2A)
None
None
None
None
 1.15A 1cmaA-1ge7A:
undetectable
1cmaB-1ge7A:
undetectable		 1cmaA-1ge7A:
20.00
1cmaB-1ge7A:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hm7 PENTALENENE SYNTHASE

(Streptomyces
exfoliatus) 		no annotation 5 ARG A  21
LEU A  66
HIS A  60
ALA A  61
GLY A 190
 None
 1.34A 1cmaA-1hm7A:
undetectable
1cmaB-1hm7A:
undetectable		 1cmaA-1hm7A:
16.54
1cmaB-1hm7A:
16.54
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.38A 1cmaA-1l5jA:
undetectable
1cmaB-1l5jA:
undetectable		 1cmaA-1l5jA:
8.27
1cmaB-1l5jA:
8.27
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
 0.34A 1cmaA-1mjlA:
17.4
1cmaB-1mjlA:
15.5		 1cmaA-1mjlA:
99.04
1cmaB-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
 1.29A 1cmaA-1npcA:
undetectable
1cmaB-1npcA:
undetectable		 1cmaA-1npcA:
15.30
1cmaB-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.
1qu0 LAMININ ALPHA2 CHAIN

(Mus musculus) 		PF02210
(Laminin_G_2) 		5 LEU A3105
LEU A3107
ALA A2946
PHE A3061
GLY A3063
 None
 1.33A 1cmaA-1qu0A:
undetectable
1cmaB-1qu0A:
undetectable		 1cmaA-1qu0A:
19.07
1cmaB-1qu0A:
19.07
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.
1uj4 RIBOSE 5-PHOSPHATE
ISOMERASE

(Thermus
thermophilus) 		PF06026
(Rib_5-P_isom_A) 		5 GLU A  90
LEU A 131
ALA A  96
PHE A 207
GLY A 209
 None
 1.34A 1cmaA-1uj4A:
undetectable
1cmaB-1uj4A:
undetectable		 1cmaA-1uj4A:
18.58
1cmaB-1uj4A:
18.58
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.
1v7v CHITOBIOSE
PHOSPHORYLASE

(Vibrio
proteolyticus) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		5 GLU A 464
LEU A 470
HIS A 428
ALA A 469
GLY A 381
 None
 1.35A 1cmaA-1v7vA:
undetectable
1cmaB-1v7vA:
undetectable		 1cmaA-1v7vA:
10.79
1cmaB-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.
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
 1.26A 1cmaA-1v7vA:
undetectable
1cmaB-1v7vA:
undetectable		 1cmaA-1v7vA:
10.79
1cmaB-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.
1vs0 PUTATIVE DNA
LIGASE-LIKE PROTEIN
RV0938/MT0965

(Mycobacterium
tuberculosis) 		PF01068
(DNA_ligase_A_M)
PF04679
(DNA_ligase_A_C) 		5 GLU A 479
GLU A 582
LEU A 581
ALA A 558
PHE A 559
 APK  A 481 ( 4.2A)
None
None
None
APK  A 481 ( 3.4A)
 1.37A 1cmaA-1vs0A:
undetectable
1cmaB-1vs0A:
undetectable		 1cmaA-1vs0A:
15.86
1cmaB-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.
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
 1.33A 1cmaA-1yc9A:
undetectable
1cmaB-1yc9A:
undetectable		 1cmaA-1yc9A:
13.38
1cmaB-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
 1.17A 1cmaA-1yc9A:
undetectable
1cmaB-1yc9A:
undetectable		 1cmaA-1yc9A:
13.38
1cmaB-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.
2b3x IRON-RESPONSIVE
ELEMENT BINDING
PROTEIN 1

(Homo sapiens) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		5 HIS A 804
LEU A 808
ALA A 784
PHE A 788
GLY A 786
 None
 1.18A 1cmaA-2b3xA:
undetectable
1cmaB-2b3xA:
undetectable		 1cmaA-2b3xA:
7.51
1cmaB-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 LEU A  88
LEU A 139
ALA A  21
PHE A  25
GLY A  23
 None
 1.05A 1cmaA-2cwdA:
undetectable
1cmaB-2cwdA:
undetectable		 1cmaA-2cwdA:
18.75
1cmaB-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.
2cy7 CYSTEINE PROTEASE
APG4B

(Homo sapiens) 		PF03416
(Peptidase_C54) 		5 LEU A  76
HIS A 280
HIS A 264
ALA A 263
GLY A 258
 None
 1.06A 1cmaA-2cy7A:
undetectable
1cmaB-2cy7A:
0.1		 1cmaA-2cy7A:
13.05
1cmaB-2cy7A:
13.05
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.
2ghs AGR_C_1268P

(Agrobacterium
fabrum) 		PF08450
(SGL) 		5 GLU A  40
LEU A  38
GLU A 281
HIS A 294
GLY A 258
 EDO  A 317 (-3.9A)
None
None
None
None
 1.12A 1cmaA-2ghsA:
undetectable
1cmaB-2ghsA:
undetectable		 1cmaA-2ghsA:
14.84
1cmaB-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.
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
 1.29A 1cmaA-2ghsA:
undetectable
1cmaB-2ghsA:
undetectable		 1cmaA-2ghsA:
14.84
1cmaB-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)
 1.01A 1cmaA-2gouA:
undetectable
1cmaB-2gouA:
undetectable		 1cmaA-2gouA:
14.25
1cmaB-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 1cmaA-2hi0A:
undetectable
1cmaB-2hi0A:
undetectable		 1cmaA-2hi0A:
17.11
1cmaB-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.
2ogs THERMOSTABLE
CARBOXYLESTERASE
EST50

(Geobacillus
stearothermophilus) 		PF00135
(COesterase) 		5 GLU A  36
GLU A  43
LEU A  40
ALA A 155
GLY A 153
 GLU  A  36 ( 0.6A)
GLU  A  43 ( 0.5A)
LEU  A  40 ( 0.6A)
ALA  A 155 ( 0.0A)
GLY  A 153 ( 0.0A)
 1.31A 1cmaA-2ogsA:
undetectable
1cmaB-2ogsA:
undetectable		 1cmaA-2ogsA:
11.99
1cmaB-2ogsA:
11.99
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.
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 1cmaA-2oryA:
undetectable
1cmaB-2oryA:
undetectable		 1cmaA-2oryA:
17.32
1cmaB-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
 1.26A 1cmaA-2p4qA:
undetectable
1cmaB-2p4qA:
undetectable		 1cmaA-2p4qA:
12.11
1cmaB-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.
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
 1.31A 1cmaA-2rhqB:
undetectable
1cmaB-2rhqB:
undetectable		 1cmaA-2rhqB:
10.60
1cmaB-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.
2vqd BIOTIN CARBOXYLASE

(Pseudomonas
aeruginosa) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 GLU A 311
ARG A 314
GLU A 301
ALA A 272
GLY A 104
 None
 1.38A 1cmaA-2vqdA:
undetectable
1cmaB-2vqdA:
undetectable		 1cmaA-2vqdA:
14.51
1cmaB-2vqdA:
14.51
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.
2wuq BETA-LACTAMASE
REGULATORY PROTEIN
BLAB

(Streptomyces
cacaoi) 		PF13354
(Beta-lactamase2) 		5 ARG A 304
LEU A  11
GLU A  10
HIS A  16
GLY A  19
 None
 1.11A 1cmaA-2wuqA:
undetectable
1cmaB-2wuqA:
undetectable		 1cmaA-2wuqA:
14.29
1cmaB-2wuqA:
14.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x0q ALCALIGIN
BIOSYNTHESIS PROTEIN

(Bordetella
bronchiseptica) 		PF04183
(IucA_IucC)
PF06276
(FhuF) 		5 LEU A 519
HIS A  79
HIS A 514
PHE A 512
GLY A 510
 None
 1.35A 1cmaA-2x0qA:
undetectable
1cmaB-2x0qA:
undetectable		 1cmaA-2x0qA:
12.03
1cmaB-2x0qA:
12.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xdq LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N

(Thermosynechococcus
elongatus) 		PF00148
(Oxidored_nitro) 		5 GLU A 301
LEU A 308
ALA A 432
PHE A 429
GLY A 430
 None
 1.38A 1cmaA-2xdqA:
undetectable
1cmaB-2xdqA:
undetectable		 1cmaA-2xdqA:
16.62
1cmaB-2xdqA:
16.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xvx CHELATASE, PUTATIVE

(Desulfovibrio
vulgaris) 		PF06180
(CbiK) 		5 LEU A  13
LEU A  98
HIS A 103
ALA A 102
PHE A 105
 None
None
HEM  A1270 ( 3.6A)
None
None
 1.23A 1cmaA-2xvxA:
undetectable
1cmaB-2xvxA:
undetectable		 1cmaA-2xvxA:
18.47
1cmaB-2xvxA:
18.47
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.
2y0e UDP-GLUCOSE
DEHYDROGENASE

(Burkholderia
cepacia) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		5 GLU A 137
ARG A 108
ARG A 104
ALA A 139
GLY A 142
 None
 1.22A 1cmaA-2y0eA:
undetectable
1cmaB-2y0eA:
undetectable		 1cmaA-2y0eA:
14.10
1cmaB-2y0eA:
14.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y4l MANNOSYLGLYCERATE
SYNTHASE

(Rhodothermus
marinus) 		no annotation 5 GLU A  90
GLU A  31
LEU A  33
ALA A  83
GLY A  79
 None
None
None
None
GDP  A 401 ( 3.8A)
 1.32A 1cmaA-2y4lA:
undetectable
1cmaB-2y4lA:
undetectable		 1cmaA-2y4lA:
13.06
1cmaB-2y4lA:
13.06
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.
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
 1.42A 1cmaA-2yp2A:
undetectable
1cmaB-2yp2A:
undetectable		 1cmaA-2yp2A:
11.20
1cmaB-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)
 1.34A 1cmaA-2z5xA:
undetectable
1cmaB-2z5xA:
undetectable		 1cmaA-2z5xA:
12.20
1cmaB-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.
3bj6 TRANSCRIPTIONAL
REGULATOR, MARR
FAMILY

(Ruegeria
pomeroyi) 		PF12802
(MarR_2) 		5 GLU A  44
ARG A  40
LEU A  48
ALA A  60
GLY A  58
 None
EOH  A 150 ( 4.8A)
None
None
None
 1.26A 1cmaA-3bj6A:
undetectable
1cmaB-3bj6A:
undetectable		 1cmaA-3bj6A:
22.29
1cmaB-3bj6A:
22.29
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.
3bru REGULATORY PROTEIN,
TETR FAMILY

(Rhodobacter
sphaeroides) 		PF00440
(TetR_N)
PF16925
(TetR_C_13) 		5 LEU A 159
HIS A 173
LEU A 169
HIS A 212
GLY A 210
 None
 1.31A 1cmaA-3bruA:
undetectable
1cmaB-3bruA:
1.2		 1cmaA-3bruA:
24.86
1cmaB-3bruA:
24.86
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.
3cpg UNCHARACTERIZED
PROTEIN

(Bifidobacterium
adolescentis) 		PF01168
(Ala_racemase_N) 		5 GLU A 251
ARG A  35
GLU A 211
ALA A 255
GLY A 257
 None
 1.28A 1cmaA-3cpgA:
undetectable
1cmaB-3cpgA:
undetectable		 1cmaA-3cpgA:
20.65
1cmaB-3cpgA:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e9y ACETOLACTATE
SYNTHASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 LEU A 175
LEU A 189
ALA A 151
PHE A 149
GLY A 153
 None
 1.36A 1cmaA-3e9yA:
undetectable
1cmaB-3e9yA:
undetectable		 1cmaA-3e9yA:
11.23
1cmaB-3e9yA:
11.23
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.
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
 1.35A 1cmaA-3eykA:
undetectable
1cmaB-3eykA:
undetectable		 1cmaA-3eykA:
13.19
1cmaB-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
 1.10A 1cmaA-3fdhA:
undetectable
1cmaB-3fdhA:
undetectable		 1cmaA-3fdhA:
12.96
1cmaB-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
 1.16A 1cmaA-3fpkA:
undetectable
1cmaB-3fpkA:
undetectable		 1cmaA-3fpkA:
18.80
1cmaB-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.
3gfh ETHANOLAMINE
UTILIZATION PROTEIN
EUTL

(Escherichia
coli) 		PF00936
(BMC) 		5 GLU A 182
ARG A  67
HIS A  75
ALA A  71
GLY A  76
 None
 1.29A 1cmaA-3gfhA:
undetectable
1cmaB-3gfhA:
undetectable		 1cmaA-3gfhA:
18.72
1cmaB-3gfhA:
18.72
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.
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
 1.08A 1cmaA-3gfmA:
undetectable
1cmaB-3gfmA:
undetectable		 1cmaA-3gfmA:
20.27
1cmaB-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.
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
 1.31A 1cmaA-3kaoA:
undetectable
1cmaB-3kaoA:
undetectable		 1cmaA-3kaoA:
16.31
1cmaB-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.
3kfg MAJOR URINARY
PROTEIN 4

(Mus musculus) 		PF00061
(Lipocalin) 		5 LEU A  24
GLU A 118
HIS A 104
HIS A 141
GLY A 142
 None
2EH  A 301 ( 2.9A)
None
None
None
 1.36A 1cmaA-3kfgA:
undetectable
1cmaB-3kfgA:
undetectable		 1cmaA-3kfgA:
23.03
1cmaB-3kfgA:
23.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase)
PF06479
(Ribonuc_2-5A) 		5 LEU A 718
GLU A 721
LEU A 791
HIS A 725
GLY A 784
 None
 1.18A 1cmaA-3lj0A:
undetectable
1cmaB-3lj0A:
undetectable		 1cmaA-3lj0A:
13.92
1cmaB-3lj0A:
13.92
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.
3mdu N-FORMIMINO-L-GLUTAM
ATE IMINOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01979
(Amidohydro_1) 		5 LEU A 315
HIS A 230
LEU A  55
ALA A 371
GLY A 373
 None
 1.33A 1cmaA-3mduA:
undetectable
1cmaB-3mduA:
undetectable		 1cmaA-3mduA:
17.91
1cmaB-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.
3n0r RESPONSE REGULATOR

(Caulobacter
vibrioides) 		PF00072
(Response_reg) 		5 LEU A 237
LEU A 105
ALA A 250
PHE A 236
GLY A 252
 None
 1.11A 1cmaA-3n0rA:
undetectable
1cmaB-3n0rA:
undetectable		 1cmaA-3n0rA:
15.57
1cmaB-3n0rA:
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.
3n5n A/G-SPECIFIC ADENINE
DNA GLYCOSYLASE

(Homo sapiens) 		PF00633
(HHH)
PF00730
(HhH-GPD) 		5 ARG X 233
LEU X 255
LEU X  86
ALA X 268
GLY X 272
 None
 1.21A 1cmaA-3n5nX:
undetectable
1cmaB-3n5nX:
undetectable		 1cmaA-3n5nX:
15.97
1cmaB-3n5nX:
15.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qp9 TYPE I POLYKETIDE
SYNTHASE PIKAII

(Streptomyces
venezuelae) 		PF08659
(KR) 		5 ARG A 214
LEU A 491
GLU A 493
ALA A 476
GLY A 478
 None
 1.34A 1cmaA-3qp9A:
undetectable
1cmaB-3qp9A:
undetectable		 1cmaA-3qp9A:
10.21
1cmaB-3qp9A:
10.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rr2 CYSTEINE SYNTHASE

(Mycobacterium
marinum) 		PF00291
(PALP) 		5 ARG A 193
GLU A 160
HIS A 154
ALA A 155
GLY A 181
 None
 1.09A 1cmaA-3rr2A:
undetectable
1cmaB-3rr2A:
undetectable		 1cmaA-3rr2A:
18.29
1cmaB-3rr2A:
18.29
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.
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
 1.02A 1cmaA-3t6pA:
undetectable
1cmaB-3t6pA:
1.3		 1cmaA-3t6pA:
14.58
1cmaB-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
 1.30A 1cmaA-3toxA:
undetectable
1cmaB-3toxA:
undetectable		 1cmaA-3toxA:
15.36
1cmaB-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.
3u0o SELENIDE, WATER
DIKINASE

(Escherichia
coli) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 GLU A 123
ARG A 126
ARG A 119
GLU A 116
PHE A  78
 None
 1.34A 1cmaA-3u0oA:
undetectable
1cmaB-3u0oA:
undetectable		 1cmaA-3u0oA:
18.05
1cmaB-3u0oA:
18.05
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.
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
 1.19A 1cmaA-3v8vA:
undetectable
1cmaB-3v8vA:
undetectable		 1cmaA-3v8vA:
12.77
1cmaB-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
 1.36A 1cmaA-3wheA:
undetectable
1cmaB-3wheA:
undetectable		 1cmaA-3wheA:
11.59
1cmaB-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.
3wpe TOLL-LIKE RECEPTOR 9

(Bos taurus) 		PF13516
(LRR_6)
PF13855
(LRR_8) 		5 LEU A 578
HIS A 582
ALA A 581
PHE A 603
GLY A 605
 None
 1.31A 1cmaA-3wpeA:
undetectable
1cmaB-3wpeA:
undetectable		 1cmaA-3wpeA:
8.38
1cmaB-3wpeA:
8.38
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.
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)
 1.34A 1cmaA-3zyxA:
undetectable
1cmaB-3zyxA:
undetectable		 1cmaA-3zyxA:
12.23
1cmaB-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.
4b3i FATTY ACID
BETA-OXIDATION
COMPLEX BETA-CHAIN
FADA

(Mycobacterium
tuberculosis) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 GLU C 375
ARG C 378
ARG C 379
LEU C 323
GLY C 353
 None
SO4  C1411 (-3.7A)
None
None
None
 1.03A 1cmaA-4b3iC:
undetectable
1cmaB-4b3iC:
undetectable		 1cmaA-4b3iC:
17.70
1cmaB-4b3iC:
17.70
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.
4b9y ALPHA-GLUCOSIDASE,
PUTATIVE, ADG31B

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16338
(DUF4968)
PF17137
(DUF5110) 		5 ARG A 231
LEU A  70
GLU A  68
PHE A 135
GLY A 134
 SO4  A1820 (-3.1A)
None
SO4  A1820 ( 4.9A)
None
None
 1.31A 1cmaA-4b9yA:
undetectable
1cmaB-4b9yA:
undetectable		 1cmaA-4b9yA:
8.45
1cmaB-4b9yA:
8.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.26A 1cmaA-4bfrA:
undetectable
1cmaB-4bfrA:
undetectable		 1cmaA-4bfrA:
7.47
1cmaB-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.
4dy0 GLIA-DERIVED NEXIN

(Homo sapiens) 		PF00079
(Serpin) 		5 GLU A 224
ARG A 208
LEU A 235
HIS A 364
GLY A 229
 None
 1.04A 1cmaA-4dy0A:
undetectable
1cmaB-4dy0A:
undetectable		 1cmaA-4dy0A:
14.78
1cmaB-4dy0A:
14.78
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.
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)
 1.14A 1cmaA-4egsA:
undetectable
1cmaB-4egsA:
undetectable		 1cmaA-4egsA:
21.20
1cmaB-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.
4flx DNA POLYMERASE 1

(Pyrococcus
abyssi) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 GLU A 376
GLU A 378
LEU A 381
ALA A 501
GLY A 499
 GLU  A 376 ( 0.6A)
GLU  A 378 ( 0.6A)
LEU  A 381 ( 0.6A)
ALA  A 501 ( 0.0A)
GLY  A 499 ( 0.0A)
 1.23A 1cmaA-4flxA:
undetectable
1cmaB-4flxA:
undetectable		 1cmaA-4flxA:
10.19
1cmaB-4flxA:
10.19
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.
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
 1.34A 1cmaA-4g92B:
undetectable
1cmaB-4g92B:
undetectable		 1cmaA-4g92B:
18.42
1cmaB-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.
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
 1.22A 1cmaA-4hh8A:
undetectable
1cmaB-4hh8A:
undetectable		 1cmaA-4hh8A:
17.27
1cmaB-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
 1.28A 1cmaA-4hh8A:
undetectable
1cmaB-4hh8A:
undetectable		 1cmaA-4hh8A:
17.27
1cmaB-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.
4i7i RYANODINE RECEPTOR 1

(Oryctolagus
cuniculus) 		PF01365
(RYDR_ITPR)
PF02815
(MIR)
PF08709
(Ins145_P3_rec) 		5 ARG A 221
LEU A 259
GLU A 397
LEU A 477
GLY A 482
 None
 1.37A 1cmaA-4i7iA:
undetectable
1cmaB-4i7iA:
undetectable		 1cmaA-4i7iA:
12.25
1cmaB-4i7iA:
12.25
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.
4i96 RYANODINE RECEPTOR 1

(Oryctolagus
cuniculus) 		PF01365
(RYDR_ITPR)
PF02815
(MIR) 		5 ARG A 221
LEU A 259
GLU A 397
LEU A 477
GLY A 482
 None
 1.37A 1cmaA-4i96A:
undetectable
1cmaB-4i96A:
undetectable		 1cmaA-4i96A:
15.56
1cmaB-4i96A:
15.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ia5 MYOSIN-CROSSREACTIVE
ANTIGEN

(Lactobacillus
acidophilus) 		PF06100
(MCRA) 		5 GLU A  82
ARG A  81
LEU A 217
HIS A 206
HIS A  86
 MPD  A 604 (-3.2A)
MPD  A 605 ( 4.1A)
MPD  A 604 (-4.6A)
None
None
 1.15A 1cmaA-4ia5A:
undetectable
1cmaB-4ia5A:
undetectable		 1cmaA-4ia5A:
11.84
1cmaB-4ia5A:
11.84
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.
4jmj RNA/RNP
COMPLEX-1-INTERACTIN
G PHOSPHATASE

(Homo sapiens) 		PF00782
(DSPc) 		5 LEU A  85
HIS A 105
ALA A 106
PHE A 110
GLY A 109
 None
 1.29A 1cmaA-4jmjA:
undetectable
1cmaB-4jmjA:
undetectable		 1cmaA-4jmjA:
22.09
1cmaB-4jmjA:
22.09
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.
4l7z HPCH/HPAI ALDOLASE

(Chloroflexus
aurantiacus) 		PF03328
(HpcH_HpaI) 		5 ARG A  92
HIS A  37
ALA A  71
PHE A  75
GLY A  74
 None
 1.38A 1cmaA-4l7zA:
undetectable
1cmaB-4l7zA:
undetectable		 1cmaA-4l7zA:
15.57
1cmaB-4l7zA:
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.
4mbg CAAX
FARNESYLTRANSFERASE
ALPHA SUBUNIT RAM2

(Aspergillus
fumigatus) 		PF01239
(PPTA) 		5 ARG A 197
LEU A 226
GLU A 230
ALA A 257
GLY A 217
 None
 1.34A 1cmaA-4mbgA:
undetectable
1cmaB-4mbgA:
undetectable		 1cmaA-4mbgA:
16.09
1cmaB-4mbgA:
16.09
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.
4nh0 CELL
DIVISIONFTSK/SPOIIIE

(Thermomonospora
curvata) 		PF01580
(FtsK_SpoIIIE) 		5 GLU A 896
ARG A1069
GLU A 902
PHE A 933
GLY A 930
 None
 1.37A 1cmaA-4nh0A:
undetectable
1cmaB-4nh0A:
undetectable		 1cmaA-4nh0A:
5.75
1cmaB-4nh0A:
5.75
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.
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
 0.87A 1cmaA-4p7wA:
undetectable
1cmaB-4p7wA:
undetectable		 1cmaA-4p7wA:
19.52
1cmaB-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.
4peq RIBONUCLEASE/ANGIOGE
NIN INHIBITOR 1

(Bos taurus) 		PF13516
(LRR_6) 		5 ARG B 441
LEU B 414
GLU B 418
ALA B 386
GLY B 384
 None
 1.22A 1cmaA-4peqB:
undetectable
1cmaB-4peqB:
undetectable		 1cmaA-4peqB:
11.49
1cmaB-4peqB:
11.49
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.
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum) 		PF00271
(Helicase_C) 		5 LEU A 229
HIS A  98
ALA A  95
PHE A  94
GLY A  97
 None
NI  A1001 (-3.4A)
None
None
None
 1.24A 1cmaA-4q2cA:
undetectable
1cmaB-4q2cA:
undetectable		 1cmaA-4q2cA:
7.87
1cmaB-4q2cA:
7.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q34 UNCHARACTERIZED
PROTEIN

(Parabacteroides
distasonis) 		PF12697
(Abhydrolase_6) 		5 GLU A  81
LEU A 103
HIS A 193
PHE A  76
GLY A  74
 GOL  A 404 (-3.6A)
None
None
None
None
 1.23A 1cmaA-4q34A:
undetectable
1cmaB-4q34A:
undetectable		 1cmaA-4q34A:
18.46
1cmaB-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.
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)
 1.37A 1cmaA-4xk83:
undetectable
1cmaB-4xk83:
undetectable		 1cmaA-4xk83:
14.35
1cmaB-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)
 1.33A 1cmaA-4xlyA:
undetectable
1cmaB-4xlyA:
0.7		 1cmaA-4xlyA:
18.51
1cmaB-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.
4z7g SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1

(Homo sapiens) 		PF00069
(Pkinase)
PF06479
(Ribonuc_2-5A) 		5 LEU A 615
GLU A 618
LEU A 682
HIS A 622
GLY A 675
 None
 1.16A 1cmaA-4z7gA:
undetectable
1cmaB-4z7gA:
undetectable		 1cmaA-4z7gA:
12.37
1cmaB-4z7gA:
12.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5boi GERMINATION PROTEIN
YPEB

(Bacillus
megaterium) 		PF03413
(PepSY)
PF14620
(YPEB) 		5 ARG A 423
LEU A 439
GLU A 437
ALA A 319
GLY A 325
 None
 1.36A 1cmaA-5boiA:
undetectable
1cmaB-5boiA:
undetectable		 1cmaA-5boiA:
20.08
1cmaB-5boiA:
20.08
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.
5f8p ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO

(Homo sapiens) 		PF12933
(FTO_NTD)
PF12934
(FTO_CTD) 		5 LEU A 289
LEU A 310
HIS A  30
ALA A 286
GLY A 284
 None
 1.30A 1cmaA-5f8pA:
undetectable
1cmaB-5f8pA:
undetectable		 1cmaA-5f8pA:
12.17
1cmaB-5f8pA:
12.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h12 DEEP VENT DNA
POLYMERASE

(Pyrococcus) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 GLU A 376
GLU A 378
LEU A 381
ALA A 501
GLY A 499
 None
 1.23A 1cmaA-5h12A:
undetectable
1cmaB-5h12A:
undetectable		 1cmaA-5h12A:
10.75
1cmaB-5h12A:
10.75
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.
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
 1.32A 1cmaA-5ik8A:
undetectable
1cmaB-5ik8A:
undetectable		 1cmaA-5ik8A:
13.39
1cmaB-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.
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)
 1.28A 1cmaA-5msoA:
undetectable
1cmaB-5msoA:
undetectable		 1cmaA-5msoA:
6.81
1cmaB-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
 1.12A 1cmaA-5n8oA:
undetectable
1cmaB-5n8oA:
undetectable		 1cmaA-5n8oA:
4.84
1cmaB-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.
5o0t PUTATIVE FERRIC
REDUCTASE

(Cylindrospermum
stagnale) 		PF01794
(Ferric_reduct) 		5 LEU A 250
HIS A 317
HIS A 313
ALA A 255
GLY A 259
 None
HEM  A 505 (-3.5A)
HEM  A 505 (-3.2A)
None
HEM  A 505 (-3.2A)
 1.06A 1cmaA-5o0tA:
undetectable
1cmaB-5o0tA:
undetectable		 1cmaA-5o0tA:
19.31
1cmaB-5o0tA:
19.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5op0 DNA POLYMERASE LIGD,
POLYMERASE DOMAIN

(Mycolicibacterium
smegmatis) 		no annotation 5 GLU B 206
ARG B 210
LEU B 163
GLU B 166
GLY B 299
 None
 1.21A 1cmaA-5op0B:
undetectable
1cmaB-5op0B:
undetectable		 1cmaA-5op0B:
17.30
1cmaB-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.
5svc ACETONE CARBOXYLASE
ALPHA SUBUNIT

(Xanthobacter
autotrophicus) 		PF02538
(Hydantoinase_B) 		5 ARG A 524
LEU A 439
GLU A 457
PHE A 536
GLY A 557
 None
 1.25A 1cmaA-5svcA:
undetectable
1cmaB-5svcA:
undetectable		 1cmaA-5svcA:
8.25
1cmaB-5svcA:
8.25
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.
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
 1.23A 1cmaA-5uuoB:
undetectable
1cmaB-5uuoB:
undetectable		 1cmaA-5uuoB:
undetectable
1cmaB-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.
5ux5 BIFUNCTIONAL PROTEIN
PROLINE UTILIZATION
A (PUTA)

(Corynebacterium
freiburgense) 		PF00171
(Aldedh)
PF01619
(Pro_dh) 		5 GLU A 963
ARG A 873
ARG A 882
LEU A 960
GLY A1067
 None
 1.08A 1cmaA-5ux5A:
undetectable
1cmaB-5ux5A:
undetectable		 1cmaA-5ux5A:
7.23
1cmaB-5ux5A:
7.23
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.
5xag TUBULIN TYROSINE
LIGASE

(Gallus gallus) 		no annotation 5 HIS F 308
LEU F 307
HIS F  54
PHE F  49
GLY F  50
 None
 1.30A 1cmaA-5xagF:
undetectable
1cmaB-5xagF:
undetectable		 1cmaA-5xagF:
undetectable
1cmaB-5xagF:
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.
5xl2 HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		5 GLU A  85
GLU A 394
ALA A 109
PHE A  83
GLY A 112
 None
 1.33A 1cmaA-5xl2A:
undetectable
1cmaB-5xl2A:
undetectable		 1cmaA-5xl2A:
12.74
1cmaB-5xl2A:
12.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xww AMPHB

(Streptomyces
nodosus) 		no annotation 5 GLU A 265
LEU A 269
GLU A 240
ALA A 235
GLY A 226
 None
 1.37A 1cmaA-5xwwA:
undetectable
1cmaB-5xwwA:
undetectable		 1cmaA-5xwwA:
undetectable
1cmaB-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.
5y3j TOLL-LIKE RECEPTOR 9

(Equus caballus) 		no annotation 5 LEU A 580
HIS A 584
ALA A 583
PHE A 605
GLY A 607
 None
 1.31A 1cmaA-5y3jA:
undetectable
1cmaB-5y3jA:
undetectable		 1cmaA-5y3jA:
undetectable
1cmaB-5y3jA:
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.
5zln TOLL-LIKE RECEPTOR 9

(Mus musculus) 		no annotation 5 LEU A 581
HIS A 585
ALA A 584
PHE A 606
GLY A 608
 None
 1.33A 1cmaA-5zlnA:
undetectable
1cmaB-5zlnA:
undetectable		 1cmaA-5zlnA:
undetectable
1cmaB-5zlnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ams BETA SLIDING CLAMP

(Pseudomonas
aeruginosa) 		no annotation 5 LEU A  53
GLU A 203
LEU A 204
ALA A 226
GLY A 216
 None
 1.21A 1cmaA-6amsA:
undetectable
1cmaB-6amsA:
undetectable		 1cmaA-6amsA:
16.76
1cmaB-6amsA:
16.76
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.
6c7s PUTATIVE RIFAMPIN
MONOOXYGENASE

(Nocardia
farcinica) 		no annotation 5 ARG A 201
LEU A 175
GLU A 232
HIS A 238
GLY A 242
 None
None
SO4  A 504 (-4.8A)
None
None
 1.36A 1cmaA-6c7sA:
undetectable
1cmaB-6c7sA:
undetectable		 1cmaA-6c7sA:
undetectable
1cmaB-6c7sA:
undetectable