SIMILAR PATTERNS OF AMINO ACIDS FOR 4CP3_B_RBTB1129

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.
1a1z FADD PROTEIN

(Homo sapiens) 		PF01335
(DED) 		4 LEU A  67
ARG A  72
GLY A  42
SER A  12
 None
 0.88A 4cp3A-1a1zA:
undetectable
4cp3B-1a1zA:
undetectable		 4cp3A-1a1zA:
21.09
4cp3B-1a1zA:
21.09
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.
1bl0 PROTEIN (MULTIPLE
ANTIBIOTIC
RESISTANCE PROTEIN)

(Escherichia
coli) 		PF12833
(HTH_18) 		4 ARG A  63
LEU A  17
GLY A  57
SER A  55
 None
 0.97A 4cp3A-1bl0A:
undetectable
4cp3B-1bl0A:
undetectable		 4cp3A-1bl0A:
18.25
4cp3B-1bl0A:
18.25
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.
1bmw POLLEN ALLERGEN PHL
P2

(Phleum pratense) 		PF01357
(Pollen_allerg_1) 		4 ASN A  65
ARG A  34
LEU A  33
GLY A  62
 None
 0.93A 4cp3A-1bmwA:
0.0
4cp3B-1bmwA:
0.0		 4cp3A-1bmwA:
21.60
4cp3B-1bmwA:
21.60
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.
1dab P.69 PERTACTIN

(Bordetella
pertussis) 		PF03212
(Pertactin) 		4 ARG A  13
ARG A  40
GLY A  44
SER A  63
 None
 0.95A 4cp3A-1dabA:
0.0
4cp3B-1dabA:
0.0		 4cp3A-1dabA:
11.91
4cp3B-1dabA:
11.91
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.
1ded CYCLODEXTRIN
GLUCANOTRANSFERASE

(Bacillus sp.
1011) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		4 ARG A 377
LEU A 378
ARG A  24
GLY A  56
 None
 0.86A 4cp3A-1dedA:
0.0
4cp3B-1dedA:
0.0		 4cp3A-1dedA:
10.96
4cp3B-1dedA:
10.96
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.
1ewr DNA MISMATCH REPAIR
PROTEIN MUTS

(Thermus
aquaticus) 		PF00488
(MutS_V)
PF05188
(MutS_II)
PF05190
(MutS_IV)
PF05192
(MutS_III) 		4 ARG A 716
GLY A 738
TYR A 737
SER A 736
 None
 0.93A 4cp3A-1ewrA:
0.0
4cp3B-1ewrA:
0.0		 4cp3A-1ewrA:
11.74
4cp3B-1ewrA:
11.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1eyx R-PHYCOERYTHRIN

(Gracilaria
chilensis) 		PF00502
(Phycobilisome) 		4 LEU A  44
GLY A 149
TYR A 152
SER A 153
 CYC  A 168 (-4.2A)
None
CYC  A 168 (-4.3A)
None
 0.63A 4cp3A-1eyxA:
0.0
4cp3B-1eyxA:
undetectable		 4cp3A-1eyxA:
21.82
4cp3B-1eyxA:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f99 R-PHYCOCYANIN

(Polysiphonia
urceolata) 		PF00502
(Phycobilisome) 		4 ASN B  35
LEU B  38
ARG B  37
TYR A  31
 PEB  B 355 (-3.5A)
PEB  B 355 ( 4.2A)
None
None
 0.90A 4cp3A-1f99B:
0.0
4cp3B-1f99B:
0.9		 4cp3A-1f99B:
20.81
4cp3B-1f99B:
20.81
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.
1hyg L-LACTATE/MALATE
DEHYDROGENASE

(Methanocaldococcus
jannaschii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 LEU A  29
ARG A  45
GLY A   7
SER A   9
 None
None
NAP  A 900 (-2.5A)
NAP  A 900 (-2.7A)
 0.96A 4cp3A-1hygA:
0.0
4cp3B-1hygA:
0.0		 4cp3A-1hygA:
18.65
4cp3B-1hygA:
18.65
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.
1jq4 METHANE
MONOOXYGENASE
COMPONENT C

(Methylococcus
capsulatus) 		PF00111
(Fer2) 		4 LEU A  61
ARG A  83
GLY A  46
SER A  65
 None
None
FES  A  99 (-4.6A)
None
 0.93A 4cp3A-1jq4A:
0.0
4cp3B-1jq4A:
0.0		 4cp3A-1jq4A:
26.02
4cp3B-1jq4A:
26.02
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.
1kvk MEVALONATE KINASE

(Rattus
norvegicus) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		4 ASN A 236
LEU A 234
GLY A 140
SER A 145
 None
None
ATP  A 535 (-2.8A)
ATP  A 535 (-2.9A)
 0.85A 4cp3A-1kvkA:
0.0
4cp3B-1kvkA:
0.0		 4cp3A-1kvkA:
16.62
4cp3B-1kvkA:
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.
1mum 2-METHYLISOCITRATE
LYASE

(Escherichia
coli) 		PF13714
(PEP_mutase) 		4 LEU A 208
ARG A 158
GLY A  24
TYR A  43
 None
MG  A1001 ( 4.8A)
None
None
 0.92A 4cp3A-1mumA:
undetectable
4cp3B-1mumA:
0.0		 4cp3A-1mumA:
20.74
4cp3B-1mumA:
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.
1pvj PYROGENIC EXOTOXIN B

(Streptococcus
pyogenes) 		PF01640
(Peptidase_C10)
PF13734
(Inhibitor_I69) 		4 LEU A 231
GLY A 277
TYR A 276
SER A 280
 None
None
None
ZFB  A 450 (-4.7A)
 0.94A 4cp3A-1pvjA:
undetectable
4cp3B-1pvjA:
undetectable		 4cp3A-1pvjA:
15.24
4cp3B-1pvjA:
15.24
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.
1qhg ATP-DEPENDENT
HELICASE PCRA

(Geobacillus
stearothermophilus) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		4 LEU A 512
ARG A 508
GLY A 492
TYR A 493
 None
 0.96A 4cp3A-1qhgA:
undetectable
4cp3B-1qhgA:
undetectable		 4cp3A-1qhgA:
11.52
4cp3B-1qhgA:
11.52
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.
1qhh PROTEIN (PCRA
(SUBUNIT))

(Geobacillus
stearothermophilus) 		no annotation 4 LEU C 512
ARG C 508
GLY C 492
TYR C 493
 None
 0.96A 4cp3A-1qhhC:
undetectable
4cp3B-1qhhC:
undetectable		 4cp3A-1qhhC:
20.14
4cp3B-1qhhC:
20.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uas ALPHA-GALACTOSIDASE

(Oryza sativa) 		PF16499
(Melibiase_2)
PF17450
(Melibiase_2_C) 		4 ASN A 285
LEU A 287
ARG A 306
SER A 308
 None
None
GOL  A1603 (-3.7A)
None
 1.02A 4cp3A-1uasA:
undetectable
4cp3B-1uasA:
undetectable		 4cp3A-1uasA:
16.18
4cp3B-1uasA:
16.18
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.
1uxt GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
(NADP+)

(Thermoproteus
tenax) 		PF00171
(Aldedh) 		4 ARG A 320
GLY A 288
TYR A 290
SER A 291
 None
 0.98A 4cp3A-1uxtA:
undetectable
4cp3B-1uxtA:
undetectable		 4cp3A-1uxtA:
12.25
4cp3B-1uxtA:
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.
1vpb PUTATIVE MODULATOR
OF DNA GYRASE

(Bacteroides
thetaiotaomicron) 		PF01523
(PmbA_TldD) 		4 LEU A 247
GLY A 380
TYR A 379
SER A 378
 None
 0.92A 4cp3A-1vpbA:
undetectable
4cp3B-1vpbA:
undetectable		 4cp3A-1vpbA:
13.56
4cp3B-1vpbA:
13.56
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.
1w07 ACYL-COA OXIDASE

(Arabidopsis
thaliana) 		PF01756
(ACOX)
PF02770
(Acyl-CoA_dh_M)
PF14749
(Acyl-CoA_ox_N) 		4 LEU A  66
GLY A 178
TYR A  98
SER A 183
 None
 1.01A 4cp3A-1w07A:
undetectable
4cp3B-1w07A:
undetectable		 4cp3A-1w07A:
11.28
4cp3B-1w07A:
11.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yiq QUINOHEMOPROTEIN
ALCOHOL
DEHYDROGENASE

(Pseudomonas
putida) 		PF01011
(PQQ)
PF13360
(PQQ_2)
PF13442
(Cytochrome_CBB3) 		5 LEU A 666
ARG A 669
GLY A 604
TYR A 602
SER A 607
 None
 1.25A 4cp3A-1yiqA:
undetectable
4cp3B-1yiqA:
undetectable		 4cp3A-1yiqA:
10.74
4cp3B-1yiqA:
10.74
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.
1yt8 THIOSULFATE
SULFURTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00581
(Rhodanese) 		4 ASN A 220
ARG A 196
GLY A 506
TYR A 507
 None
 0.96A 4cp3A-1yt8A:
undetectable
4cp3B-1yt8A:
undetectable		 4cp3A-1yt8A:
13.70
4cp3B-1yt8A:
13.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zps PHOSPHORIBOSYL-AMP
CYCLOHYDROLASE

(Methanothermobacter
thermautotrophicus) 		PF01502
(PRA-CH) 		4 ASN A  43
LEU A  23
GLY A  64
SER A  62
 None
 0.95A 4cp3A-1zpsA:
undetectable
4cp3B-1zpsA:
undetectable		 4cp3A-1zpsA:
20.89
4cp3B-1zpsA:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zvu TOPOISOMERASE IV
SUBUNIT A

(Escherichia
coli) 		PF00521
(DNA_topoisoIV)
PF03989
(DNA_gyraseA_C) 		4 ARG A 721
LEU A 643
GLY A 601
SER A 598
 None
 0.96A 4cp3A-1zvuA:
undetectable
4cp3B-1zvuA:
undetectable		 4cp3A-1zvuA:
11.69
4cp3B-1zvuA:
11.69
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.
2b5e PROTEIN
DISULFIDE-ISOMERASE

(Saccharomyces
cerevisiae) 		PF00085
(Thioredoxin)
PF13848
(Thioredoxin_6) 		4 ARG A 411
LEU A 412
GLY A 469
SER A 475
 None
 0.93A 4cp3A-2b5eA:
undetectable
4cp3B-2b5eA:
undetectable		 4cp3A-2b5eA:
12.96
4cp3B-2b5eA:
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.
2bmo OXYGENASE-ALPHA NBDO

(Comamonas sp.
JS765) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		4 ASN A  36
ARG A  35
GLY A 245
TYR A 244
 None
EDO  A1444 (-3.8A)
None
None
 0.86A 4cp3A-2bmoA:
undetectable
4cp3B-2bmoA:
undetectable		 4cp3A-2bmoA:
14.94
4cp3B-2bmoA:
14.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bv8 C-PHYCOCYANIN ALPHA
SUBUNIT
C-PHYCOCYANIN BETA
SUBUNIT

(Gracilaria
chilensis) 		PF00502
(Phycobilisome) 		4 ASN B  35
LEU B  38
ARG B  37
TYR A  31
 PEB  B1175 (-3.6A)
PEB  B1175 ( 4.0A)
None
None
 1.02A 4cp3A-2bv8B:
undetectable
4cp3B-2bv8B:
undetectable		 4cp3A-2bv8B:
20.57
4cp3B-2bv8B:
20.57
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.
2ca4 SULFITE:CYTOCHROME C
OXIDOREDUCTASE
SUBUNIT A

(Starkeya
novella) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer) 		4 ARG A 260
GLY A 210
TYR A 209
SER A 105
 None
MSS  A1374 (-3.8A)
None
MSS  A1374 (-2.7A)
 0.90A 4cp3A-2ca4A:
undetectable
4cp3B-2ca4A:
undetectable		 4cp3A-2ca4A:
16.39
4cp3B-2ca4A:
16.39
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.
2dg7 PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N) 		4 LEU A  55
ARG A  52
GLY A  24
TYR A  25
 None
 0.97A 4cp3A-2dg7A:
undetectable
4cp3B-2dg7A:
undetectable		 4cp3A-2dg7A:
22.81
4cp3B-2dg7A:
22.81
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.
2dm0 TYROSINE-PROTEIN
KINASE TXK

(Homo sapiens) 		PF00017
(SH2) 		4 ARG A 109
LEU A 110
ARG A 111
GLY A 105
 None
 0.98A 4cp3A-2dm0A:
undetectable
4cp3B-2dm0A:
undetectable		 4cp3A-2dm0A:
19.86
4cp3B-2dm0A:
19.86
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.
2dqw DIHYDROPTEROATE
SYNTHASE

(Thermus
thermophilus) 		PF00809
(Pterin_bind) 		4 ASN A 209
LEU A 210
GLY A 237
SER A 240
 None
 1.01A 4cp3A-2dqwA:
undetectable
4cp3B-2dqwA:
undetectable		 4cp3A-2dqwA:
18.90
4cp3B-2dqwA:
18.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2enq PHOSPHATIDYLINOSITOL
-4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT ALPHA
ISOFORM

(Homo sapiens) 		PF00792
(PI3K_C2) 		4 ASN A 134
ARG A  34
GLY A  41
TYR A  38
 None
 0.83A 4cp3A-2enqA:
undetectable
4cp3B-2enqA:
undetectable		 4cp3A-2enqA:
24.07
4cp3B-2enqA:
24.07
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.
2f2a ASPARTYL/GLUTAMYL-TR
NA(ASN/GLN)
AMIDOTRANSFERASE
SUBUNIT C
GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Staphylococcus
aureus) 		PF01425
(Amidase)
PF02686
(Glu-tRNAGln) 		4 LEU C  18
ARG C  17
GLY A 362
SER A 318
 None
 0.97A 4cp3A-2f2aC:
undetectable
4cp3B-2f2aC:
undetectable		 4cp3A-2f2aC:
24.60
4cp3B-2f2aC:
24.60
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.
2gez L-ASPARAGINASE ALPHA
SUBUNIT
L-ASPARAGINASE BETA
SUBUNIT

(Lupinus luteus) 		PF01112
(Asparaginase_2) 		4 ASN A 148
ARG A 151
LEU A 152
GLY B 212
 None
 1.00A 4cp3A-2gezA:
undetectable
4cp3B-2gezA:
undetectable		 4cp3A-2gezA:
23.08
4cp3B-2gezA:
23.08
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.
2gez L-ASPARAGINASE ALPHA
SUBUNIT
L-ASPARAGINASE BETA
SUBUNIT

(Lupinus luteus) 		PF01112
(Asparaginase_2) 		4 ASN A 148
ARG A 151
LEU A 152
GLY B 213
 None
None
None
CL  B 406 (-3.7A)
 0.94A 4cp3A-2gezA:
undetectable
4cp3B-2gezA:
undetectable		 4cp3A-2gezA:
23.08
4cp3B-2gezA:
23.08
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.
2hz7 GLUTAMINYL-TRNA
SYNTHETASE

(Deinococcus
radiodurans) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C) 		4 ASN A 194
LEU A 213
ARG A 214
GLY A 158
 None
 0.82A 4cp3A-2hz7A:
undetectable
4cp3B-2hz7A:
undetectable		 4cp3A-2hz7A:
10.30
4cp3B-2hz7A:
10.30
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.
2jtc STREPTOPAIN

(Streptococcus
pyogenes) 		PF01640
(Peptidase_C10) 		4 LEU A  86
GLY A 132
TYR A 131
SER A 135
 None
 0.99A 4cp3A-2jtcA:
undetectable
4cp3B-2jtcA:
undetectable		 4cp3A-2jtcA:
18.95
4cp3B-2jtcA:
18.95
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.
2o8e DNA MISMATCH REPAIR
PROTEIN MSH6

(Homo sapiens) 		PF00488
(MutS_V)
PF01624
(MutS_I)
PF05188
(MutS_II)
PF05190
(MutS_IV)
PF05192
(MutS_III) 		4 ASN B 600
LEU B 601
GLY B 557
TYR B 556
 None
 1.01A 4cp3A-2o8eB:
undetectable
4cp3B-2o8eB:
undetectable		 4cp3A-2o8eB:
8.78
4cp3B-2o8eB:
8.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pq6 UDP-GLUCURONOSYL/UDP
-GLUCOSYLTRANSFERASE

(Medicago
truncatula) 		PF00201
(UDPGT) 		4 ASN A  47
ARG A  50
LEU A  51
GLY A  20
 None
 0.60A 4cp3A-2pq6A:
undetectable
4cp3B-2pq6A:
undetectable		 4cp3A-2pq6A:
13.84
4cp3B-2pq6A:
13.84
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.
2r3v MEVALONATE KINASE

(Homo sapiens) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		4 ASN A 236
LEU A 234
GLY A 140
SER A 145
 None
 0.77A 4cp3A-2r3vA:
undetectable
4cp3B-2r3vA:
undetectable		 4cp3A-2r3vA:
15.26
4cp3B-2r3vA:
15.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rgh ALPHA-GLYCEROPHOSPHA
TE OXIDASE

(Streptococcus
sp.) 		PF01266
(DAO)
PF16901
(DAO_C) 		4 ASN A   4
LEU A 536
ARG A 533
GLY A 578
 None
 0.98A 4cp3A-2rghA:
undetectable
4cp3B-2rghA:
undetectable		 4cp3A-2rghA:
12.68
4cp3B-2rghA:
12.68
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.
2w48 SORBITOL OPERON
REGULATOR

(Klebsiella
pneumoniae) 		PF04198
(Sugar-bind)
PF13936
(HTH_38) 		4 LEU A 179
GLY A 228
TYR A 227
SER A 232
 MPD  A1317 (-3.9A)
None
MPD  A1317 (-4.4A)
None
 1.02A 4cp3A-2w48A:
undetectable
4cp3B-2w48A:
undetectable		 4cp3A-2w48A:
18.62
4cp3B-2w48A:
18.62
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.
2zq5 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Mycobacterium
tuberculosis) 		PF13469
(Sulfotransfer_3) 		4 ASN A  61
LEU A  65
ARG A 179
TYR A 187
 None
 0.99A 4cp3A-2zq5A:
undetectable
4cp3B-2zq5A:
undetectable		 4cp3A-2zq5A:
16.39
4cp3B-2zq5A:
16.39
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.
3c3n DIHYDROOROTATE
DEHYDROGENASE

(Trypanosoma
cruzi) 		PF01180
(DHO_dh) 		4 ASN A 129
ARG A  52
GLY A  22
SER A  26
 ASN  A 129 (-0.6A)
ARG  A  52 ( 0.6A)
GLY  A  22 (-0.0A)
SER  A  26 ( 0.0A)
 0.77A 4cp3A-3c3nA:
undetectable
4cp3B-3c3nA:
undetectable		 4cp3A-3c3nA:
20.77
4cp3B-3c3nA:
20.77
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.
3cw3 ABSENT IN MELANOMA 1
PROTEIN

(Homo sapiens) 		PF00030
(Crystall) 		4 ARG A  93
GLY A  53
TYR A  46
SER A  55
 None
 1.01A 4cp3A-3cw3A:
undetectable
4cp3B-3cw3A:
undetectable		 4cp3A-3cw3A:
20.63
4cp3B-3cw3A:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d4r DOMAIN OF UNKNOWN
FUNCTION FROM THE
PFAM-B_34464 FAMILY

(Methanococcus
maripaludis) 		PF09891
(DUF2118) 		4 ASN A 123
ARG A 108
LEU A 109
TYR A 107
 None
 0.85A 4cp3A-3d4rA:
undetectable
4cp3B-3d4rA:
undetectable		 4cp3A-3d4rA:
18.39
4cp3B-3d4rA:
18.39
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.
3ewe NUCLEOPORIN NUP85

(Saccharomyces
cerevisiae) 		PF07575
(Nucleopor_Nup85) 		4 ASN B 250
LEU B 254
GLY B 340
TYR B 363
 None
 0.99A 4cp3A-3eweB:
undetectable
4cp3B-3eweB:
undetectable		 4cp3A-3eweB:
14.90
4cp3B-3eweB:
14.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fnd CHITINASE

(Bacteroides
thetaiotaomicron) 		PF00704
(Glyco_hydro_18) 		4 ASN A 165
LEU A 169
ARG A 133
GLY A 121
 None
 0.93A 4cp3A-3fndA:
undetectable
4cp3B-3fndA:
undetectable		 4cp3A-3fndA:
18.93
4cp3B-3fndA:
18.93
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.
3gdc MULTICOPPER OXIDASE

(Arthrobacter
sp. FB24) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 ASN A 181
LEU A 224
GLY A 290
TYR A 194
 None
 0.79A 4cp3A-3gdcA:
undetectable
4cp3B-3gdcA:
undetectable		 4cp3A-3gdcA:
18.56
4cp3B-3gdcA:
18.56
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.
3h09 IMMUNOGLOBULIN A1
PROTEASE

(Haemophilus
influenzae) 		PF02395
(Peptidase_S6)
PF03212
(Pertactin) 		4 ASN A 872
LEU A 900
GLY A 876
SER A 905
 None
 0.82A 4cp3A-3h09A:
undetectable
4cp3B-3h09A:
undetectable		 4cp3A-3h09A:
8.97
4cp3B-3h09A:
8.97
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.
3h4x PHOSPHATIDYLINOSITOL
-SPECIFIC
PHOSPHOLIPASE C1

(Streptomyces
antibioticus) 		PF16670
(PI-PLC-C1) 		4 ARG A  73
LEU A  63
ARG A 140
GLY A 106
 None
None
GOL  A 366 ( 3.6A)
EOH  A 349 (-3.7A)
 0.88A 4cp3A-3h4xA:
undetectable
4cp3B-3h4xA:
undetectable		 4cp3A-3h4xA:
15.29
4cp3B-3h4xA:
15.29
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.
3ioq CMS1MS2

(Vasconcellea
cundinamarcensis) 		PF00112
(Peptidase_C1) 		4 ASN A 116
ARG A 115
ARG A 112
GLY A 201
 None
EDO  A 504 (-4.9A)
None
None
 0.99A 4cp3A-3ioqA:
undetectable
4cp3B-3ioqA:
undetectable		 4cp3A-3ioqA:
18.63
4cp3B-3ioqA:
18.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jb9 PRE-MRNA-SPLICING
FACTOR CDC5

(Schizosaccharomyces
pombe) 		PF13921
(Myb_DNA-bind_6) 		4 LEU W 170
ARG W 169
GLY W  25
TYR W  24
 None
G  N  43 ( 3.4A)
None
A  N  42 ( 4.7A)
 1.00A 4cp3A-3jb9W:
undetectable
4cp3B-3jb9W:
undetectable		 4cp3A-3jb9W:
6.50
4cp3B-3jb9W:
6.50
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.
3k11 PUTATIVE GLYCOSYL
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF07470
(Glyco_hydro_88) 		4 ARG A 130
LEU A 134
GLY A 105
SER A 101
 None
 1.00A 4cp3A-3k11A:
undetectable
4cp3B-3k11A:
undetectable		 4cp3A-3k11A:
13.96
4cp3B-3k11A:
13.96
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.
3oj6 BLASTICIDIN-S
DEAMINASE

(Coccidioides
immitis) 		PF00383
(dCMP_cyt_deam_1) 		4 ASN A  12
LEU A  13
GLY A  41
SER A  38
 None
 1.02A 4cp3A-3oj6A:
undetectable
4cp3B-3oj6A:
undetectable		 4cp3A-3oj6A:
19.38
4cp3B-3oj6A:
19.38
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.
3oyt 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE I

(Yersinia pestis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 ASN A 157
LEU A 102
GLY A 142
SER A  74
 None
 0.99A 4cp3A-3oytA:
undetectable
4cp3B-3oytA:
undetectable		 4cp3A-3oytA:
15.37
4cp3B-3oytA:
15.37
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.
3pvd CAPSID

(Norwalk virus) 		PF08435
(Calici_coat_C) 		4 ASN A 413
LEU A 415
GLY A 406
TYR A 405
 None
 0.67A 4cp3A-3pvdA:
undetectable
4cp3B-3pvdA:
undetectable		 4cp3A-3pvdA:
16.72
4cp3B-3pvdA:
16.72
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.
3pxx CARVEOL
DEHYDROGENASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		4 ASN A  45
GLY A 171
TYR A 174
SER A 175
 None
None
NAD  A 284 (-4.5A)
None
 0.91A 4cp3A-3pxxA:
undetectable
4cp3B-3pxxA:
undetectable		 4cp3A-3pxxA:
19.86
4cp3B-3pxxA:
19.86
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.
3sr3 MICROCIN IMMUNITY
PROTEIN MCCF

(Bacillus
anthracis) 		PF02016
(Peptidase_S66) 		4 ASN A  90
LEU A  92
GLY A  86
SER A  20
 None
 1.00A 4cp3A-3sr3A:
undetectable
4cp3B-3sr3A:
undetectable		 4cp3A-3sr3A:
13.73
4cp3B-3sr3A:
13.73
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.
3syj ADHESION AND
PENETRATION PROTEIN
AUTOTRANSPORTER

(Haemophilus
influenzae) 		PF02395
(Peptidase_S6)
PF03212
(Pertactin) 		4 ASN A  90
LEU A  87
GLY A 452
SER A 478
 None
 0.98A 4cp3A-3syjA:
undetectable
4cp3B-3syjA:
undetectable		 4cp3A-3syjA:
7.87
4cp3B-3syjA:
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.
3t33 G PROTEIN COUPLED
RECEPTOR

(Arabidopsis
thaliana) 		PF05147
(LANC_like) 		4 ARG A 151
GLY A 124
TYR A 125
SER A 116
 None
 0.96A 4cp3A-3t33A:
undetectable
4cp3B-3t33A:
undetectable		 4cp3A-3t33A:
16.48
4cp3B-3t33A:
16.48
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.
3toy MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Bradyrhizobium
sp. ORS 278) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 LEU A 152
GLY A 141
TYR A 140
SER A 139
 None
 0.98A 4cp3A-3toyA:
undetectable
4cp3B-3toyA:
undetectable		 4cp3A-3toyA:
16.89
4cp3B-3toyA:
16.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zdb PROTEIN XNI

(Escherichia
coli) 		PF01367
(5_3_exonuc)
PF02739
(5_3_exonuc_N) 		4 ARG A  59
LEU A  63
ARG A  62
GLY A 170
 None
 0.90A 4cp3A-3zdbA:
undetectable
4cp3B-3zdbA:
undetectable		 4cp3A-3zdbA:
16.73
4cp3B-3zdbA:
16.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4aay AROB

(Rhizobium sp.
NT-26) 		PF00355
(Rieske) 		4 ASN B  52
LEU B  54
GLY B 162
TYR B 148
 None
 0.98A 4cp3A-4aayB:
undetectable
4cp3B-4aayB:
undetectable		 4cp3A-4aayB:
20.55
4cp3B-4aayB:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ate BETA-PORPHYRANASE A

(Zobellia
galactanivorans) 		no annotation 5 ASN A 253
LEU A 254
ARG A  79
GLY A 147
SER A 128
 CL  A1277 (-4.2A)
None
None
None
None
 1.15A 4cp3A-4ateA:
undetectable
4cp3B-4ateA:
undetectable		 4cp3A-4ateA:
22.88
4cp3B-4ateA:
22.88
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.
4c3h DNA-DIRECTED RNA
POLYMERASE I SUBUNIT
RPA190

(Saccharomyces
cerevisiae) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		4 LEU A 658
ARG A 667
GLY A 792
SER A 789
 None
 0.89A 4cp3A-4c3hA:
undetectable
4cp3B-4c3hA:
undetectable		 4cp3A-4c3hA:
5.77
4cp3B-4c3hA:
5.77
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.
4d47 LEVANSUCRASE

(Erwinia
amylovora) 		PF02435
(Glyco_hydro_68) 		4 ASN A 139
ARG A 141
LEU A 414
GLY A 162
 None
 0.89A 4cp3A-4d47A:
undetectable
4cp3B-4d47A:
undetectable		 4cp3A-4d47A:
14.85
4cp3B-4d47A:
14.85
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.
4eys MCCC FAMILY PROTEIN

(Streptococcus
pneumoniae) 		PF02016
(Peptidase_S66) 		4 LEU A  86
ARG A  85
GLY A  79
SER A  12
 None
None
AMP  A 401 (-3.0A)
None
 0.92A 4cp3A-4eysA:
undetectable
4cp3B-4eysA:
undetectable		 4cp3A-4eysA:
16.03
4cp3B-4eysA:
16.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ezi UNCHARACTERIZED
PROTEIN

(Legionella
pneumophila) 		no annotation 4 LEU A 385
GLY A 108
TYR A 194
SER A 195
 None
None
None
PEG  A 501 ( 3.9A)
 0.92A 4cp3A-4eziA:
undetectable
4cp3B-4eziA:
undetectable		 4cp3A-4eziA:
16.80
4cp3B-4eziA:
16.80
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.
4frt PROBABLE PORIN

(Pseudomonas
aeruginosa) 		PF03573
(OprD) 		4 LEU A 252
ARG A 271
GLY A 268
TYR A 269
 None
 0.95A 4cp3A-4frtA:
undetectable
4cp3B-4frtA:
undetectable		 4cp3A-4frtA:
15.38
4cp3B-4frtA:
15.38
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.
4g9i HYDROGENASE
MATURATION PROTEIN
HYPF

(Thermococcus
kodakarensis) 		PF00708
(Acylphosphatase)
PF00814
(Peptidase_M22)
PF01300
(Sua5_yciO_yrdC)
PF07503
(zf-HYPF) 		4 ARG A 445
LEU A 448
GLY A 412
SER A 422
 None
 0.95A 4cp3A-4g9iA:
undetectable
4cp3B-4g9iA:
undetectable		 4cp3A-4g9iA:
10.08
4cp3B-4g9iA:
10.08
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.
4gl3 PUTATIVE
GLUCOAMYLASE

(Bacteroides
uniformis) 		PF10091
(Glycoamylase) 		4 LEU A 402
GLY A 336
TYR A 337
SER A 338
 None
None
PEG  A 504 ( 3.9A)
None
 1.00A 4cp3A-4gl3A:
undetectable
4cp3B-4gl3A:
undetectable		 4cp3A-4gl3A:
14.59
4cp3B-4gl3A:
14.59
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.
4hjl NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas sp.
C18) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		4 ASN A  38
ARG A  37
GLY A 247
TYR A 246
 None
 0.91A 4cp3A-4hjlA:
undetectable
4cp3B-4hjlA:
undetectable		 4cp3A-4hjlA:
15.22
4cp3B-4hjlA:
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.
4hkm ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE

(Xanthomonas
campestris) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N) 		5 LEU A 220
ARG A 218
GLY A 314
TYR A 303
SER A 310
 None
 1.48A 4cp3A-4hkmA:
undetectable
4cp3B-4hkmA:
undetectable		 4cp3A-4hkmA:
18.33
4cp3B-4hkmA:
18.33
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.
4iss ALLOPHANATE
HYDROLASE

(Kluyveromyces
lactis) 		PF01425
(Amidase) 		4 LEU A 535
ARG A 536
GLY A 604
SER A 544
 None
 0.99A 4cp3A-4issA:
undetectable
4cp3B-4issA:
undetectable		 4cp3A-4issA:
10.40
4cp3B-4issA:
10.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j7m PROTEIN DOM3Z

(Mus musculus) 		PF08652
(RAI1) 		4 ARG A 221
LEU A 230
GLY A  50
SER A 218
 None
 0.99A 4cp3A-4j7mA:
undetectable
4cp3B-4j7mA:
undetectable		 4cp3A-4j7mA:
14.99
4cp3B-4j7mA:
14.99
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.
4nen INTEGRIN ALPHA-X
INTEGRIN BETA-2

(Homo sapiens) 		PF00092
(VWA)
PF00362
(Integrin_beta)
PF01839
(FG-GAP)
PF07965
(Integrin_B_tail)
PF08441
(Integrin_alpha2)
PF17205
(PSI_integrin) 		5 ARG A 407
LEU B 253
GLY A 387
TYR A 388
SER A 389
 None
 1.19A 4cp3A-4nenA:
undetectable
4cp3B-4nenA:
undetectable		 4cp3A-4nenA:
8.78
4cp3B-4nenA:
8.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nen INTEGRIN ALPHA-X
INTEGRIN BETA-2

(Homo sapiens) 		PF00092
(VWA)
PF00362
(Integrin_beta)
PF01839
(FG-GAP)
PF07965
(Integrin_B_tail)
PF08441
(Integrin_alpha2)
PF17205
(PSI_integrin) 		5 ARG A 407
LEU B 253
GLY A 404
TYR A 388
SER A 389
 None
 1.16A 4cp3A-4nenA:
undetectable
4cp3B-4nenA:
undetectable		 4cp3A-4nenA:
8.78
4cp3B-4nenA:
8.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p47 TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Ochrobactrum
anthropi) 		PF03480
(DctP) 		4 LEU A 136
ARG A 135
GLY A  96
SER A  99
 None
 0.82A 4cp3A-4p47A:
undetectable
4cp3B-4p47A:
undetectable		 4cp3A-4p47A:
18.59
4cp3B-4p47A:
18.59
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.
4um8 INTEGRIN ALPHA-V
INTEGRIN BETA-6

(Homo sapiens) 		PF00362
(Integrin_beta)
PF01839
(FG-GAP)
PF08441
(Integrin_alpha2)
PF17205
(PSI_integrin) 		5 ARG A 245
LEU B 265
GLY A 223
TYR A 224
SER A 225
 None
 1.27A 4cp3A-4um8A:
undetectable
4cp3B-4um8A:
undetectable		 4cp3A-4um8A:
10.66
4cp3B-4um8A:
10.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4um8 INTEGRIN ALPHA-V
INTEGRIN BETA-6

(Homo sapiens) 		PF00362
(Integrin_beta)
PF01839
(FG-GAP)
PF08441
(Integrin_alpha2)
PF17205
(PSI_integrin) 		5 ARG A 245
LEU B 265
GLY A 242
TYR A 224
SER A 225
 None
 1.30A 4cp3A-4um8A:
undetectable
4cp3B-4um8A:
undetectable		 4cp3A-4um8A:
10.66
4cp3B-4um8A:
10.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4w2q ANTI-MARBURGVIRUS
NUCLEOPROTEIN SINGLE
DOMAIN ANTIBODY C
NUCLEOPROTEIN

(Lama glama;
Marburg
marburgvirus) 		no annotation 4 ASN B 669
LEU B 663
GLY A 101
TYR A 100
 None
 0.97A 4cp3A-4w2qB:
undetectable
4cp3B-4w2qB:
undetectable		 4cp3A-4w2qB:
20.72
4cp3B-4w2qB:
20.72
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.
4wj3 GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A
GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT C

(Pseudomonas
aeruginosa) 		PF01425
(Amidase)
PF02686
(Glu-tRNAGln) 		4 LEU C  17
ARG C  16
GLY A 360
SER A 316
 None
 0.80A 4cp3A-4wj3C:
undetectable
4cp3B-4wj3C:
undetectable		 4cp3A-4wj3C:
22.79
4cp3B-4wj3C:
22.79
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.
5an9 60S RIBOSOMAL
PROTEIN L9

(Dictyostelium
discoideum) 		PF00347
(Ribosomal_L6) 		4 ASN B  46
LEU B  53
GLY B  22
SER B  24
 None
 0.90A 4cp3A-5an9B:
undetectable
4cp3B-5an9B:
undetectable		 4cp3A-5an9B:
21.98
4cp3B-5an9B:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b7i CRISPR-ASSOCIATED
NUCLEASE/HELICASE
CAS3 SUBTYPE
I-F/YPEST

(Pseudomonas
aeruginosa) 		no annotation 4 ARG A 155
LEU A 188
GLY A 126
SER A 129
 None
 1.00A 4cp3A-5b7iA:
undetectable
4cp3B-5b7iA:
undetectable		 4cp3A-5b7iA:
6.85
4cp3B-5b7iA:
6.85
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.
5c2c FORM II RUBISCO

(Gallionella) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		4 ASN A 372
ARG A 375
LEU A 376
GLY A 393
 None
 1.00A 4cp3A-5c2cA:
undetectable
4cp3B-5c2cA:
undetectable		 4cp3A-5c2cA:
13.51
4cp3B-5c2cA:
13.51
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.
5d6j UBIQUITIN-LIKE
PROTEIN SMT3

(Saccharomyces
cerevisiae) 		PF11976
(Rad60-SLD) 		4 ARG B  64
LEU B  63
GLY B  31
SER B  29
 None
 0.91A 4cp3A-5d6jB:
undetectable
4cp3B-5d6jB:
undetectable		 4cp3A-5d6jB:
18.55
4cp3B-5d6jB:
18.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5guh PIWI

(Bombyx mori) 		PF02170
(PAZ)
PF02171
(Piwi) 		5 ASN A 296
LEU A 302
GLY A 243
TYR A 247
SER A 241
 None
 1.31A 4cp3A-5guhA:
undetectable
4cp3B-5guhA:
undetectable		 4cp3A-5guhA:
10.44
4cp3B-5guhA:
10.44
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.
5gyk MITOCHONDRIAL
DISTRIBUTION AND
MORPHOLOGY PROTEIN
12

(Saccharomyces
cerevisiae) 		PF10296
(MMM1) 		4 ASN A  25
ARG A  21
LEU A  24
GLY A 136
 None
 0.90A 4cp3A-5gykA:
undetectable
4cp3B-5gykA:
undetectable		 4cp3A-5gykA:
22.67
4cp3B-5gykA:
22.67
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.
5i8i UREA AMIDOLYASE

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF01425
(Amidase)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 LEU A 535
ARG A 536
GLY A 604
SER A 544
 None
 1.00A 4cp3A-5i8iA:
undetectable
4cp3B-5i8iA:
undetectable		 4cp3A-5i8iA:
5.64
4cp3B-5i8iA:
5.64
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.
5kjv HYDROXYCINNAMOYL
TRANSFERASE

(Plectranthus
scutellarioides) 		PF02458
(Transferase) 		4 LEU A 114
ARG A 116
GLY A 106
TYR A 105
 None
 0.90A 4cp3A-5kjvA:
undetectable
4cp3B-5kjvA:
undetectable		 4cp3A-5kjvA:
16.10
4cp3B-5kjvA:
16.10
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.
5kn8 ADENINE DNA
GLYCOSYLASE

(Geobacillus
stearothermophilus) 		PF00633
(HHH)
PF00730
(HhH-GPD) 		4 LEU A 120
ARG A 119
GLY A 107
TYR A 106
 None
 0.87A 4cp3A-5kn8A:
undetectable
4cp3B-5kn8A:
undetectable		 4cp3A-5kn8A:
21.93
4cp3B-5kn8A:
21.93
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.
5kov PL-2 SCFV CHAIN

(Mus musculus) 		PF07686
(V-set) 		4 ASN C1034
LEU C1046
GLY C 101
TYR C  99
 None
 0.94A 4cp3A-5kovC:
undetectable
4cp3B-5kovC:
undetectable		 4cp3A-5kovC:
19.47
4cp3B-5kovC:
19.47
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.
5mll DNA PROCESSING CHAIN
A (DPRA)

(Helicobacter
pylori) 		no annotation 4 ASN A 144
LEU A 171
ARG A 170
GLY A 138
 None
 0.87A 4cp3A-5mllA:
undetectable
4cp3B-5mllA:
undetectable		 4cp3A-5mllA:
19.35
4cp3B-5mllA:
19.35
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.
5n6u BETA-MANNOSIDASE

(Dictyoglomus
thermophilum) 		PF00703
(Glyco_hydro_2)
PF02837
(Glyco_hydro_2_N) 		4 ASN A 733
LEU A 731
GLY A 804
TYR A 805
 None
 0.97A 4cp3A-5n6uA:
undetectable
4cp3B-5n6uA:
undetectable		 4cp3A-5n6uA:
8.73
4cp3B-5n6uA:
8.73
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.
5nqd ARSENITE OXIDASE
SMALL SUBUNIT AIOB
RIESKE [2FE-2S]
CLUSTER

(Rhizobium sp.
NT-26) 		no annotation 4 ASN B  52
LEU B  54
GLY B 162
TYR B 148
 None
 0.96A 4cp3A-5nqdB:
undetectable
4cp3B-5nqdB:
undetectable		 4cp3A-5nqdB:
17.74
4cp3B-5nqdB:
17.74
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.
5o6u UNCHARACTERIZED
PROTEIN

(Shewanella
putrefaciens) 		no annotation 4 ASN C  25
LEU C  43
GLY C  48
TYR C  49
 None
 0.88A 4cp3A-5o6uC:
undetectable
4cp3B-5o6uC:
undetectable		 4cp3A-5o6uC:
19.35
4cp3B-5o6uC:
19.35
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.
5uxi ALDEHYDE
DECARBONYLASE

(Nostoc
punctiforme) 		no annotation 4 ASN A 171
LEU A 167
GLY A 208
SER A 212
 None
 1.02A 4cp3A-5uxiA:
undetectable
4cp3B-5uxiA:
undetectable		 4cp3A-5uxiA:
23.93
4cp3B-5uxiA:
23.93
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.
5wsg PRE-MRNA-SPLICING
FACTOR
CEF1,PRE-MRNA-SPLICI
NG FACTOR
CEF1,CEF1,PRE-MRNA-S
PLICING FACTOR CEF1

(Saccharomyces
cerevisiae) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03144
(GTP_EFTU_D2)
PF03764
(EFG_IV)
PF16004
(EFTUD2) 		4 LEU c 159
ARG c 158
GLY c  29
TYR c  28
 None
G  E  55 ( 3.2A)
None
G  E  55 ( 4.4A)
 0.98A 4cp3A-5wsgc:
undetectable
4cp3B-5wsgc:
undetectable		 4cp3A-5wsgc:
8.09
4cp3B-5wsgc:
8.09
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.
5x62 CARNOSINE
N-METHYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF07942
(N2227) 		4 ASN A 274
LEU A 152
ARG A 121
SER A 126
 SAH  A 501 (-3.2A)
None
None
None
 0.93A 4cp3A-5x62A:
undetectable
4cp3B-5x62A:
undetectable		 4cp3A-5x62A:
16.34
4cp3B-5x62A:
16.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5znn SORTILIN

(Mus musculus) 		no annotation 4 ARG A 409
LEU A 408
GLY A 631
SER A 622
 NAG  A 805 (-4.9A)
None
None
None
 0.99A 4cp3A-5znnA:
undetectable
4cp3B-5znnA:
undetectable		 4cp3A-5znnA:
undetectable
4cp3B-5znnA:
undetectable