SIMILAR PATTERNS OF AMINO ACIDS FOR 4R3A_B_RBFB402_2

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.
1jnu PHY3 PROTEIN

(Adiantum
capillus-veneris) 		PF13426
(PAS_9) 		6 CYH A 966
ARG A 967
ASN A 998
ASN A1008
GLY A1027
GLN A1029
 FMN  A1033 (-1.8A)
FMN  A1033 (-3.6A)
FMN  A1033 (-3.2A)
FMN  A1033 (-4.1A)
FMN  A1033 (-3.7A)
FMN  A1033 (-4.2A)
 0.50A 4r3aB-1jnuA:
15.7		 4r3aB-1jnuA:
23.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n9l PUTATIVE BLUE LIGHT
RECEPTOR

(Chlamydomonas
reinhardtii) 		PF13426
(PAS_9) 		10 ALA A  25
LEU A  34
CYH A  57
ARG A  58
ILE A  77
ASN A  89
ASN A  99
LEU A 101
GLY A 118
GLN A 120
 FMN  A 500 ( 3.7A)
None
FMN  A 500 (-3.4A)
FMN  A 500 (-4.0A)
FMN  A 500 (-4.7A)
FMN  A 500 (-3.0A)
FMN  A 500 (-3.9A)
FMN  A 500 (-4.1A)
FMN  A 500 (-3.9A)
FMN  A 500 (-3.7A)
 0.44A 4r3aB-1n9lA:
15.6		 4r3aB-1n9lA:
21.51
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.
1q1p EPITHELIAL-CADHERIN

(Mus musculus) 		PF00028
(Cadherin) 		5 LEU A  66
ILE A  52
ILE A  94
LEU A  76
GLY A  42
 None
 1.02A 4r3aB-1q1pA:
undetectable		 4r3aB-1q1pA:
20.66
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.
1qhg ATP-DEPENDENT
HELICASE PCRA

(Geobacillus
stearothermophilus) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 ALA A 248
ILE A 280
LEU A 282
GLY A  36
GLN A  16
 None
None
None
ATP  A 726 (-3.4A)
ATP  A 726 (-3.3A)
 0.97A 4r3aB-1qhgA:
undetectable		 4r3aB-1qhgA:
21.10
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.
1qhh PROTEIN (PCRA
(SUBUNIT))

(Geobacillus
stearothermophilus) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 ALA B 248
ILE B 280
LEU B 282
GLY A  36
GLN A  16
 None
None
None
ATP  A 700 (-3.4A)
ATP  A 700 (-2.8A)
 0.94A 4r3aB-1qhhB:
undetectable		 4r3aB-1qhhB:
20.86
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.
1uaq CYTOSINE DEAMINASE

(Saccharomyces
cerevisiae) 		PF00383
(dCMP_cyt_deam_1) 		5 CYH A  71
ILE A  65
ILE A 103
LEU A  84
GLY A  35
 None
 0.89A 4r3aB-1uaqA:
undetectable		 4r3aB-1uaqA:
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.
1ufr PYR MRNA-BINDING
ATTENUATION PROTEIN

(Thermus
thermophilus) 		PF00156
(Pribosyltran) 		5 ALA A 115
LEU A 119
ALA A 145
ILE A  24
GLY A  38
 None
 0.97A 4r3aB-1ufrA:
undetectable		 4r3aB-1ufrA:
21.45
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.
1vhk HYPOTHETICAL PROTEIN
YQEU

(Bacillus
subtilis) 		PF04452
(Methyltrans_RNA) 		5 LEU A 227
ALA A 105
ILE A  83
ILE A  79
LEU A 199
 None
 1.02A 4r3aB-1vhkA:
undetectable		 4r3aB-1vhkA:
21.14
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.
1wuf HYPOTHETICAL PROTEIN
LIN2664

(Listeria
innocua) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A1262
ALA A1121
ILE A1124
LEU A1106
GLY A1269
 None
 0.97A 4r3aB-1wufA:
undetectable		 4r3aB-1wufA:
22.40
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.
1wuu GALACTOKINASE

(Homo sapiens) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg) 		5 ALA A 387
ALA A 164
ILE A 163
ILE A 201
LEU A 199
 None
 1.01A 4r3aB-1wuuA:
undetectable		 4r3aB-1wuuA:
24.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ybw HEPATOCYTE GROWTH
FACTOR ACTIVATOR
PRECURSOR

(Homo sapiens) 		PF00089
(Trypsin) 		5 ALA A 584
LEU A 561
ALA A 538
ILE A 537
ILE A 520
 None
 0.99A 4r3aB-1ybwA:
undetectable		 4r3aB-1ybwA:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g5c PREPHENATE
DEHYDROGENASE

(Aquifex
aeolicus) 		PF02153
(PDH) 		5 ALA A 222
LEU A 223
ALA A 273
ILE A 274
LEU A 281
 None
 1.02A 4r3aB-2g5cA:
undetectable		 4r3aB-2g5cA:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hes YDR267CP

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		5 ALA X  28
LEU X  27
ALA X 114
ASN X 255
GLY X  30
 None
 0.90A 4r3aB-2hesX:
undetectable		 4r3aB-2hesX:
22.37
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.
2ji9 OXALYL-COA
DECARBOXYLASE

(Oxalobacter
formigenes) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 LEU A 103
CYH A  76
ALA A  40
ILE A  36
GLY A  83
 None
 0.96A 4r3aB-2ji9A:
undetectable		 4r3aB-2ji9A:
22.34
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.
2jnk HYALURONONGLUCOSAMIN
IDASE

(Clostridium
perfringens) 		PF00404
(Dockerin_1)
PF07554
(FIVAR) 		6 ILE A  90
ILE A 118
ASN A 101
ASN A 107
LEU A 110
GLY A  86
 None
 1.38A 4r3aB-2jnkA:
undetectable		 4r3aB-2jnkA:
16.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2mwg BLUE-LIGHT
PHOTORECEPTOR

(Bacillus
subtilis) 		PF01740
(STAS)
PF13426
(PAS_9) 		7 CYH A  62
ARG A  63
ASN A  94
ASN A 104
LEU A 106
GLY A 121
GLN A 123
 FMN  A 900 (-3.3A)
FMN  A 900 (-4.9A)
FMN  A 900 (-2.9A)
FMN  A 900 (-3.9A)
FMN  A 900 (-4.3A)
FMN  A 900 (-2.9A)
FMN  A 900 (-4.2A)
 1.09A 4r3aB-2mwgA:
12.5		 4r3aB-2mwgA:
29.94
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.
2mwg BLUE-LIGHT
PHOTORECEPTOR

(Bacillus
subtilis) 		PF01740
(STAS)
PF13426
(PAS_9) 		7 CYH A  62
ILE A  92
ASN A  94
ASN A 104
LEU A 106
GLY A 121
GLN A 123
 FMN  A 900 (-3.3A)
FMN  A 900 ( 4.1A)
FMN  A 900 (-2.9A)
FMN  A 900 (-3.9A)
FMN  A 900 (-4.3A)
FMN  A 900 (-2.9A)
FMN  A 900 (-4.2A)
 0.60A 4r3aB-2mwgA:
12.5		 4r3aB-2mwgA:
29.94
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.
2o56 PUTATIVE MANDELATE
RACEMASE

(Salmonella
enterica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A 330
ALA A 103
ILE A 102
ILE A  10
GLY A 325
 None
 1.02A 4r3aB-2o56A:
undetectable		 4r3aB-2o56A:
22.42
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.
2pjr PROTEIN (HELICASE
PCRA)

(Geobacillus
stearothermophilus) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 ALA A 248
ILE A 280
LEU A 282
GLY A  36
GLN A  16
 None
 1.01A 4r3aB-2pjrA:
undetectable		 4r3aB-2pjrA:
22.46
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.
2pr5 BLUE-LIGHT
PHOTORECEPTOR

(Bacillus
subtilis) 		PF13426
(PAS_9) 		8 CYH A  62
ARG A  63
ILE A  92
ASN A  94
ASN A 104
LEU A 106
GLY A 121
GLN A 123
 FMN  A 500 (-3.5A)
FMN  A 500 (-3.8A)
FMN  A 500 ( 4.6A)
FMN  A 500 (-3.1A)
FMN  A 500 (-3.7A)
FMN  A 500 (-4.1A)
FMN  A 500 (-3.9A)
FMN  A 500 (-3.9A)
 0.47A 4r3aB-2pr5A:
14.7		 4r3aB-2pr5A:
19.76
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.
2r0l HEPATOCYTE GROWTH
FACTOR ACTIVATOR

(Homo sapiens) 		PF00089
(Trypsin) 		5 ALA A 183
LEU A 162
ALA A 139
ILE A 138
ILE A 121
 None
 0.96A 4r3aB-2r0lA:
undetectable		 4r3aB-2r0lA:
20.11
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.
2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1

(Avena sativa;
Homo sapiens) 		PF00071
(Ras)
PF13426
(PAS_9) 		6 ARG A 451
ILE A 470
ASN A 482
ASN A 492
GLY A 511
GLN A 513
 FMN  A1725 (-3.8A)
FMN  A1725 (-4.7A)
FMN  A1725 (-3.0A)
FMN  A1725 (-3.8A)
FMN  A1725 (-3.7A)
FMN  A1725 (-3.8A)
 0.41A 4r3aB-2wkpA:
17.7		 4r3aB-2wkpA:
26.65
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.
2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1

(Avena sativa;
Homo sapiens) 		PF00071
(Ras)
PF13426
(PAS_9) 		6 CYH A 450
ARG A 451
ILE A 470
ASN A 492
GLY A 511
GLN A 513
 FMN  A1725 (-3.4A)
FMN  A1725 (-3.8A)
FMN  A1725 (-4.7A)
FMN  A1725 (-3.8A)
FMN  A1725 (-3.7A)
FMN  A1725 (-3.8A)
 0.86A 4r3aB-2wkpA:
17.7		 4r3aB-2wkpA:
26.65
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.
2xax RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE 1
SUBUNIT ALPHA

(Escherichia
coli) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF03477
(ATP-cone) 		5 ALA A 302
LEU A 438
ALA A 243
ILE A 244
GLY A 300
 None
 1.02A 4r3aB-2xaxA:
undetectable		 4r3aB-2xaxA:
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.
2ywj GLUTAMINE
AMIDOTRANSFERASE
SUBUNIT PDXT

(Methanocaldococcus
jannaschii) 		PF01174
(SNO) 		5 LEU A  92
ALA A   7
ILE A   8
ILE A  38
LEU A  35
 None
 0.96A 4r3aB-2ywjA:
undetectable		 4r3aB-2ywjA:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z6c PHOTOTROPIN-1

(Arabidopsis
thaliana) 		PF13426
(PAS_9) 		8 CYH A 234
ARG A 235
ILE A 264
ASN A 266
ASN A 276
LEU A 278
GLY A 295
GLN A 297
 FMN  A 500 (-3.4A)
FMN  A 500 (-3.9A)
None
FMN  A 500 (-3.0A)
FMN  A 500 (-3.6A)
FMN  A 500 (-4.3A)
FMN  A 500 (-3.9A)
FMN  A 500 (-3.6A)
 0.69A 4r3aB-2z6cA:
14.6		 4r3aB-2z6cA:
17.33
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.
2z6d PHOTOTROPIN-2

(Arabidopsis
thaliana) 		PF13426
(PAS_9) 		7 CYH A 170
ARG A 171
ASN A 202
ASN A 212
LEU A 214
GLY A 231
GLN A 233
 FMN  A 500 (-3.5A)
FMN  A 500 (-3.7A)
FMN  A 500 (-3.1A)
FMN  A 500 (-3.7A)
FMN  A 500 (-4.3A)
FMN  A 500 (-3.7A)
FMN  A 500 (-3.8A)
 0.48A 4r3aB-2z6dA:
14.9		 4r3aB-2z6dA:
16.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zcx TETR-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N) 		6 LEU A  90
ARG A 154
ILE A 168
ILE A 220
LEU A 217
GLY A 102
 None
 1.27A 4r3aB-2zcxA:
undetectable		 4r3aB-2zcxA:
23.36
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.
3clk TRANSCRIPTION
REGULATOR

(Lactobacillus
plantarum) 		PF13377
(Peripla_BP_3) 		5 ALA A 210
ILE A 211
ILE A 174
ASN A 171
GLY A 199
 None
 1.00A 4r3aB-3clkA:
undetectable		 4r3aB-3clkA:
22.37
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.
3eu8 PUTATIVE
GLUCOAMYLASE

(Bacteroides
fragilis) 		PF10091
(Glycoamylase)
PF11329
(DUF3131) 		6 ALA A  65
LEU A  64
ILE A  95
ILE A 184
LEU A 163
GLY A  89
 EDO  A 474 (-3.6A)
None
None
None
None
None
 1.40A 4r3aB-3eu8A:
undetectable		 4r3aB-3eu8A:
22.99
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.
3grk ENOYL-(ACYL-CARRIER-
PROTEIN) REDUCTASE
(NADH)

(Brucella
melitensis) 		PF13561
(adh_short_C2) 		5 ALA A  32
LEU A   8
ILE A  15
ILE A 144
GLY A 232
 None
 0.83A 4r3aB-3grkA:
undetectable		 4r3aB-3grkA:
23.32
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.
3j0a TOLL-LIKE RECEPTOR 5

(Homo sapiens) 		PF01582
(TIR)
PF13855
(LRR_8) 		5 LEU A 341
ILE A 372
ASN A 394
ASN A 370
LEU A 347
 None
 0.99A 4r3aB-3j0aA:
undetectable		 4r3aB-3j0aA:
16.95
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.
3p7n SENSOR HISTIDINE
KINASE

(Erythrobacter
litoralis) 		PF00196
(GerE)
PF13426
(PAS_9) 		8 LEU A  52
CYH A  75
ARG A  76
ILE A 105
ASN A 107
ASN A 117
GLY A 136
GLN A 138
 None
FMN  A 500 (-3.3A)
FMN  A 500 (-3.8A)
FMN  A 500 (-4.1A)
FMN  A 500 (-3.1A)
FMN  A 500 (-4.1A)
FMN  A 500 ( 4.0A)
FMN  A 500 (-3.9A)
 0.51A 4r3aB-3p7nA:
14.5		 4r3aB-3p7nA:
24.06
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.
3q13 SPONDIN-1

(Homo sapiens) 		PF06468
(Spond_N) 		5 ALA A 401
LEU A 350
ALA A 233
ILE A 283
LEU A 209
 None
 0.88A 4r3aB-3q13A:
undetectable		 4r3aB-3q13A:
21.49
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.
3q2w CADHERIN-2

(Mus musculus) 		PF00028
(Cadherin) 		5 LEU A  66
ILE A  52
ILE A  94
LEU A  76
GLY A  42
 None
 0.98A 4r3aB-3q2wA:
undetectable		 4r3aB-3q2wA:
21.17
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.
3q60 ROP5B

(Toxoplasma
gondii) 		PF14531
(Kinase-like) 		5 ARG A 480
ALA A 435
LEU A 444
GLY A 388
GLN A 448
 None
 0.99A 4r3aB-3q60A:
undetectable		 4r3aB-3q60A:
23.91
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.
3rh8 VIVID PAS PROTEIN
VVD

(Neurospora
crassa) 		PF13426
(PAS_9) 		8 CYH B 108
ARG B 109
ILE B 139
ASN B 151
ASN B 161
LEU B 163
GLY B 180
GLN B 182
 FAD  B5201 (-1.8A)
FAD  B5201 (-4.3A)
FAD  B5201 (-4.6A)
FAD  B5201 (-3.0A)
FAD  B5201 (-3.7A)
FAD  B5201 (-3.8A)
FAD  B5201 (-3.8A)
FAD  B5201 (-4.1A)
 0.60A 4r3aB-3rh8B:
12.5		 4r3aB-3rh8B:
17.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t50 BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE

(Brucella
melitensis) 		PF13426
(PAS_9) 		6 ALA A  84
ILE A  99
ASN A 101
ASN A 111
LEU A 113
GLN A 132
 None
FMN  A 200 ( 4.4A)
FMN  A 200 (-3.1A)
FMN  A 200 (-3.8A)
FMN  A 200 (-4.3A)
FMN  A 200 (-3.9A)
 1.22A 4r3aB-3t50A:
15.5		 4r3aB-3t50A:
17.58
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.
3t50 BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE

(Brucella
melitensis) 		PF13426
(PAS_9) 		8 CYH A  69
ARG A  70
ILE A  89
ILE A  99
ASN A 101
ASN A 111
LEU A 113
GLN A 132
 FMN  A 200 (-3.4A)
FMN  A 200 (-3.9A)
FMN  A 200 (-4.5A)
FMN  A 200 ( 4.4A)
FMN  A 200 (-3.1A)
FMN  A 200 (-3.8A)
FMN  A 200 (-4.3A)
FMN  A 200 (-3.9A)
 0.73A 4r3aB-3t50A:
15.5		 4r3aB-3t50A:
17.58
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.
3u4c BACILYSIN
BIOSYNTHESIS
OXIDOREDUCTASE YWFH

(Bacillus
subtilis) 		PF13561
(adh_short_C2) 		5 ALA A 237
ALA A  18
ILE A  19
ILE A  47
LEU A  30
 None
 0.96A 4r3aB-3u4cA:
undetectable		 4r3aB-3u4cA:
21.33
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.
3ue6 AUREOCHROME1

(Vaucheria
frigida) 		PF13426
(PAS_9) 		6 ARG A 255
ILE A 274
ASN A 286
ASN A 296
GLY A 315
GLN A 317
 FMN  A 500 (-3.6A)
FMN  A 500 (-4.9A)
FMN  A 500 (-3.3A)
FMN  A 500 (-4.3A)
FMN  A 500 (-3.7A)
FMN  A 500 (-4.1A)
 0.57A 4r3aB-3ue6A:
15.1		 4r3aB-3ue6A:
19.84
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.
3ue6 AUREOCHROME1

(Vaucheria
frigida) 		PF13426
(PAS_9) 		6 CYH A 254
ARG A 255
ILE A 274
ASN A 296
GLY A 315
GLN A 317
 FMN  A 500 (-3.5A)
FMN  A 500 (-3.6A)
FMN  A 500 (-4.9A)
FMN  A 500 (-4.3A)
FMN  A 500 (-3.7A)
FMN  A 500 (-4.1A)
 0.85A 4r3aB-3ue6A:
15.1		 4r3aB-3ue6A:
19.84
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.
3w21 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Burkholderia
ambifaria) 		no annotation 5 ALA A  24
ILE A  27
ILE A  42
LEU A 237
GLY A 180
 None
 0.85A 4r3aB-3w21A:
undetectable		 4r3aB-3w21A:
19.95
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.
3wj2 CARBOXYLESTERASE

(Ferroplasma
acidiphilum) 		PF07859
(Abhydrolase_3) 		5 ALA A 153
ALA A 103
ILE A 110
LEU A 308
GLY A 151
 None
 0.99A 4r3aB-3wj2A:
undetectable		 4r3aB-3wj2A:
20.73
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.
4af0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Cryptococcus
neoformans) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 ALA B  73
ALA B 262
ILE B 108
ILE B 304
GLY B 334
 None
 0.92A 4r3aB-4af0B:
undetectable		 4r3aB-4af0B:
21.66
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.
4cby HISTONE DEACETYLASE
4

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 ALA A 935
LEU A 948
ALA A 893
ASN A1010
GLY A 945
 None
 1.00A 4r3aB-4cbyA:
undetectable		 4r3aB-4cbyA:
21.38
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.
4crm TRANSLATION
INITIATION FACTOR
RLI1

(Saccharomyces
cerevisiae) 		PF00005
(ABC_tran)
PF00037
(Fer4)
PF04068
(RLI) 		5 ALA P   9
ILE P  10
ASN P  78
LEU P  79
GLY P 302
 None
 0.99A 4r3aB-4crmP:
undetectable		 4r3aB-4crmP:
21.31
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.
4cza NA+/H+ ANTIPORTER,
PUTATIVE

(Pyrococcus
abyssi) 		PF00999
(Na_H_Exchanger) 		5 ALA A 169
LEU A 173
ALA A 370
ILE A 125
GLY A 119
 None
 0.98A 4r3aB-4czaA:
undetectable		 4r3aB-4czaA:
23.66
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.
4e69 2-DEHYDRO-3-DEOXYGLU
CONOKINASE

(Oceanicola
granulosus) 		PF00294
(PfkB) 		5 ALA A 147
LEU A 116
ALA A 159
ILE A 158
LEU A 133
 None
 0.95A 4r3aB-4e69A:
undetectable		 4r3aB-4e69A:
24.18
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.
4ees PHOTOTROPIN-2

(Arabidopsis
thaliana) 		PF13426
(PAS_9) 		7 ARG A 427
ILE A 446
ASN A 458
ASN A 468
LEU A 470
GLY A 487
GLN A 489
 FMN  A1001 (-3.8A)
FMN  A1001 (-4.6A)
FMN  A1001 (-3.0A)
FMN  A1001 (-3.9A)
FMN  A1001 (-4.2A)
FMN  A1001 (-3.8A)
FMN  A1001 (-3.9A)
 0.44A 4r3aB-4eesA:
15.8		 4r3aB-4eesA:
16.67
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.
4f92 U5 SMALL NUCLEAR
RIBONUCLEOPROTEIN
200 KDA HELICASE

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		5 ALA B 471
ARG B 558
ALA B 513
ILE B 585
GLY B 522
 None
 1.02A 4r3aB-4f92B:
undetectable		 4r3aB-4f92B:
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.
4fsf PENICILLIN-BINDING
PROTEIN 3

(Pseudomonas
aeruginosa) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 ALA A 306
ALA A 358
ILE A 361
ILE A 345
LEU A 342
 None
 0.94A 4r3aB-4fsfA:
3.5		 4r3aB-4fsfA:
23.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4gcz BLUE-LIGHT
PHOTORECEPTOR,
SENSOR PROTEIN FIXL

(Bacillus
subtilis;
Bradyrhizobium
diazoefficiens) 		PF00512
(HisKA)
PF02518
(HATPase_c)
PF13426
(PAS_9) 		8 CYH A  62
ARG A  63
ILE A  92
ASN A  94
ASN A 104
LEU A 106
GLY A 121
GLN A 123
 FMN  A 401 (-3.3A)
FMN  A 401 (-3.9A)
FMN  A 401 ( 4.6A)
FMN  A 401 (-3.1A)
FMN  A 401 (-3.7A)
FMN  A 401 (-4.3A)
FMN  A 401 (-3.7A)
FMN  A 401 (-3.8A)
 0.72A 4r3aB-4gczA:
14.4		 4r3aB-4gczA:
31.44
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.
4hhd PHOTOTROPIN-1

(Arabidopsis
thaliana) 		PF13426
(PAS_9) 		7 CYH A 512
ARG A 513
ILE A 532
ASN A 544
ASN A 554
GLY A 573
GLN A 575
 FMN  A 701 (-3.7A)
FMN  A 701 (-2.6A)
FMN  A 701 (-4.7A)
FMN  A 701 (-2.8A)
FMN  A 701 (-3.8A)
FMN  A 701 (-3.7A)
FMN  A 701 (-3.6A)
 0.75A 4r3aB-4hhdA:
16.8		 4r3aB-4hhdA:
20.51
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.
4hj3 LOV PROTEIN

(Rhodobacter
sphaeroides) 		PF13426
(PAS_9) 		8 LEU A  32
CYH A  55
ARG A  56
ASN A  87
ASN A  97
LEU A  99
GLY A 116
GLN A 118
 None
FMN  A 201 (-3.7A)
FMN  A 201 (-3.4A)
FMN  A 201 (-2.9A)
FMN  A 201 (-3.8A)
FMN  A 201 (-4.4A)
FMN  A 201 (-3.9A)
FMN  A 201 (-3.8A)
 0.78A 4r3aB-4hj3A:
13.9		 4r3aB-4hj3A:
24.29
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.
4lb8 UNCHARACTERIZED
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF16140
(DUF4848) 		5 ALA A 214
LEU A 205
ALA A 265
ILE A 266
GLY A 280
 None
None
None
PEG  A 406 (-4.6A)
None
 0.98A 4r3aB-4lb8A:
undetectable		 4r3aB-4lb8A:
23.37
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.
4mbu SIMILAR TO
N-ACETYLTRANSFERASE

(Staphylococcus
aureus) 		PF13420
(Acetyltransf_4) 		5 ALA A 155
LEU A 154
ALA A 125
ILE A 127
ILE A  84
 None
 1.02A 4r3aB-4mbuA:
undetectable		 4r3aB-4mbuA:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mp3 PUTATIVE ORNITHINE
CYCLODEAMINASE

(Staphylococcus
aureus) 		PF02423
(OCD_Mu_crystall) 		5 ALA A  27
ALA A  73
ILE A  68
ILE A 110
LEU A 101
 None
 0.98A 4r3aB-4mp3A:
undetectable		 4r3aB-4mp3A:
23.11
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.
4nuq CADHERIN-2

(Mus musculus) 		PF00028
(Cadherin) 		5 LEU A  66
ILE A  52
ILE A  94
LEU A  76
GLY A  42
 None
 1.01A 4r3aB-4nuqA:
undetectable		 4r3aB-4nuqA:
20.06
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.
4oou BETA-1,4-MANNANASE

(Cryptopygus
antarcticus) 		no annotation 5 ALA B 266
ILE B 222
ILE B 156
ASN B 153
LEU B 152
 None
 1.02A 4r3aB-4oouB:
undetectable		 4r3aB-4oouB:
21.27
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.
4oqj PKS

(Streptomyces
albus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 ALA A 200
ALA A  21
ILE A  20
ILE A 382
LEU A 378
 None
 0.99A 4r3aB-4oqjA:
undetectable		 4r3aB-4oqjA:
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.
4p05 ARYLSULFATE
SULFOTRANSFERASE
ASST

(Escherichia
coli) 		PF05935
(Arylsulfotrans)
PF17425
(Arylsulfotran_N) 		5 LEU A 316
ALA A 392
ASN A 358
ASN A 436
GLY A 452
 None
None
4NS  A 601 (-3.6A)
4NS  A 601 (-3.3A)
None
 0.87A 4r3aB-4p05A:
undetectable		 4r3aB-4p05A:
20.84
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.
4q66 PROTEIN BCH1

(Saccharomyces
cerevisiae) 		no annotation 5 LEU K 551
ALA K 480
ILE K 395
GLY K 589
GLN K 489
 None
 0.85A 4r3aB-4q66K:
undetectable		 4r3aB-4q66K:
18.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r38 BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2

(Erythrobacter
litoralis) 		PF13426
(PAS_9) 		7 ALA A  23
LEU A  32
CYH A  55
ALA A  72
ILE A  75
ILE A  85
ASN A  87
 RBF  A 201 ( 3.4A)
None
RBF  A 201 (-3.3A)
RBF  A 201 ( 3.3A)
RBF  A 201 (-4.2A)
RBF  A 201 ( 4.2A)
RBF  A 201 (-2.4A)
 1.33A 4r3aB-4r38A:
16.8		 4r3aB-4r38A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r38 BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2

(Erythrobacter
litoralis) 		PF13426
(PAS_9) 		12 ALA A  23
LEU A  32
CYH A  55
ARG A  56
ALA A  72
ILE A  75
ILE A  85
ASN A  87
ASN A  97
LEU A  99
GLY A 116
GLN A 118
 RBF  A 201 ( 3.4A)
None
RBF  A 201 (-3.3A)
RBF  A 201 (-3.7A)
RBF  A 201 ( 3.3A)
RBF  A 201 (-4.2A)
RBF  A 201 ( 4.2A)
RBF  A 201 (-2.4A)
RBF  A 201 (-3.7A)
RBF  A 201 (-4.2A)
RBF  A 201 ( 3.3A)
RBF  A 201 (-4.0A)
 0.48A 4r3aB-4r38A:
16.8		 4r3aB-4r38A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r38 BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2

(Erythrobacter
litoralis) 		PF13426
(PAS_9) 		6 ALA A  23
LEU A  32
CYH A  55
ARG A  56
ILE A  75
ASN A  97
 RBF  A 201 ( 3.4A)
None
RBF  A 201 (-3.3A)
RBF  A 201 (-3.7A)
RBF  A 201 (-4.2A)
RBF  A 201 (-3.7A)
 1.05A 4r3aB-4r38A:
16.8		 4r3aB-4r38A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ru0 PUTATIVE
BRANCHED-CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC
BRANCHED-CHAIN AMINO
ACID-BINDING PROTEIN

(Pseudomonas
protegens) 		PF13458
(Peripla_BP_6) 		5 ALA A 334
ILE A 129
ILE A 364
LEU A 381
GLN A 379
 None
 1.00A 4r3aB-4ru0A:
undetectable		 4r3aB-4ru0A:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ufc GH95

(Bacteroides
ovatus) 		PF14498
(Glyco_hyd_65N_2) 		5 LEU A 684
ALA A 382
ASN A 714
ASN A 734
GLY A 708
 None
 0.89A 4r3aB-4ufcA:
undetectable		 4r3aB-4ufcA:
17.84
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.
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum) 		PF00148
(Oxidored_nitro) 		5 ARG A 297
ALA A 317
ILE A 320
ILE A 232
GLY A 492
 None
 1.01A 4r3aB-4wn9A:
undetectable		 4r3aB-4wn9A:
19.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wuj GLYCOSIDE HYDROLASE
FAMILY 15, CELLULOSE
SIGNALING ASSOCIATED
PROTEIN ENVOY

(Trichoderma
reesei) 		PF13426
(PAS_9) 		7 ALA A 200
ILE A 161
ILE A 171
ASN A 173
ASN A 183
GLY A 202
GLN A 204
 FMN  A5201 (-2.8A)
FMN  A5201 (-3.8A)
FMN  A5201 ( 4.4A)
FMN  A5201 (-2.4A)
FMN  A5201 (-4.1A)
FMN  A5201 (-3.0A)
FMN  A5201 (-3.7A)
 1.42A 4r3aB-4wujA:
12.2		 4r3aB-4wujA:
18.77
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.
4wuj GLYCOSIDE HYDROLASE
FAMILY 15, CELLULOSE
SIGNALING ASSOCIATED
PROTEIN ENVOY

(Trichoderma
reesei) 		PF13426
(PAS_9) 		8 CYH A 135
ARG A 136
ILE A 161
ILE A 171
ASN A 173
ASN A 183
GLY A 202
GLN A 204
 FMN  A5201 (-3.5A)
FMN  A5201 (-3.7A)
FMN  A5201 (-3.8A)
FMN  A5201 ( 4.4A)
FMN  A5201 (-2.4A)
FMN  A5201 (-4.1A)
FMN  A5201 (-3.0A)
FMN  A5201 (-3.7A)
 0.70A 4r3aB-4wujA:
12.2		 4r3aB-4wujA:
18.77
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.
4wz9 AGAP004809-PA

(Anopheles
gambiae) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		5 ALA A 264
ALA A 323
ILE A 322
GLY A 336
GLN A 371
 None
 0.89A 4r3aB-4wz9A:
undetectable		 4r3aB-4wz9A:
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.
4wz9 AGAP004809-PA

(Anopheles
gambiae) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		5 ALA A 323
ILE A 322
ILE A 364
GLY A 336
GLN A 371
 None
 1.01A 4r3aB-4wz9A:
undetectable		 4r3aB-4wz9A:
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.
5a8b PTAUREO1A LOV2
DOMAIN

(Phaeodactylum
tricornutum) 		PF13426
(PAS_9) 		6 ARG A 288
ILE A 307
ASN A 319
ASN A 329
GLY A 348
GLN A 350
 FMN  A 500 (-4.1A)
FMN  A 500 (-4.8A)
FMN  A 500 (-3.0A)
FMN  A 500 (-4.2A)
FMN  A 500 (-3.8A)
FMN  A 500 (-3.9A)
 0.53A 4r3aB-5a8bA:
14.0		 4r3aB-5a8bA:
18.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a8b PTAUREO1A LOV2
DOMAIN

(Phaeodactylum
tricornutum) 		PF13426
(PAS_9) 		6 CYH A 287
ARG A 288
ILE A 307
ASN A 319
GLY A 348
GLN A 350
 FMN  A 500 (-3.6A)
FMN  A 500 (-4.1A)
FMN  A 500 (-4.8A)
FMN  A 500 (-3.0A)
FMN  A 500 (-3.8A)
FMN  A 500 (-3.9A)
 0.81A 4r3aB-5a8bA:
14.0		 4r3aB-5a8bA:
18.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dju NPH1-2

(Avena sativa) 		PF13426
(PAS_9) 		6 ARG A 451
ILE A 470
ASN A 482
ASN A 492
GLY A 511
GLN A 513
 FMN  A 601 ( 3.8A)
CL  A 603 (-4.4A)
FMN  A 601 (-3.1A)
FMN  A 601 (-3.9A)
FMN  A 601 (-3.8A)
FMN  A 601 (-3.8A)
 0.38A 4r3aB-5djuA:
17.9		 4r3aB-5djuA:
21.18
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.
5dkk LOV DOMAIN

(Phaeodactylum
tricornutum) 		PF13426
(PAS_9) 		7 CYH A 287
ARG A 288
ILE A 307
ASN A 319
ASN A 329
GLY A 348
GLN A 350
 FMN  A 401 (-3.4A)
FMN  A 401 (-4.1A)
FMN  A 401 (-4.6A)
FMN  A 401 (-3.0A)
FMN  A 401 (-4.1A)
FMN  A 401 (-3.7A)
FMN  A 401 (-3.8A)
 0.83A 4r3aB-5dkkA:
14.4		 4r3aB-5dkkA:
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.
5fd4 COMR

(Streptococcus
suis) 		PF13560
(HTH_31) 		5 ALA A  22
ARG A  14
ALA A  60
ILE A  44
LEU A  41
 None
 1.02A 4r3aB-5fd4A:
undetectable		 4r3aB-5fd4A:
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.
5fmg PROTEASOME SUBUNIT
BETA TYPE
PROTEASOME, PUTATIVE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		5 ALA H 166
ALA N  35
LEU N  58
GLY H 171
GLN N  62
 None
 0.83A 4r3aB-5fmgH:
undetectable		 4r3aB-5fmgH:
20.33
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.
5hzh RAS-RELATED C3
BOTULINUM TOXIN
SUBSTRATE
1,NPH1-1,RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1

(Avena sativa;
Homo sapiens) 		PF00071
(Ras)
PF13426
(PAS_9) 		6 ARG A  98
ILE A 117
ASN A 129
ASN A 139
GLY A 158
GLN A 160
 FMN  A 402 (-3.3A)
FMN  A 402 (-4.8A)
FMN  A 402 (-2.9A)
FMN  A 402 (-4.2A)
FMN  A 402 (-3.7A)
FMN  A 402 (-3.6A)
 0.46A 4r3aB-5hzhA:
18.2		 4r3aB-5hzhA:
26.18
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.
5hzk INTERSECTIN-1,NPH1-1
,INTERSECTIN-1

(Avena sativa;
Homo sapiens) 		PF00621
(RhoGEF)
PF13426
(PAS_9)
PF16652
(PH_13) 		6 ARG B1356
ILE B1375
ASN B1387
ASN B1397
GLY B1416
GLN B1418
 FMN  B1801 (-3.9A)
FMN  B1801 (-4.9A)
FMN  B1801 (-3.0A)
FMN  B1801 (-4.2A)
FMN  B1801 (-3.7A)
FMN  B1801 (-3.7A)
 0.50A 4r3aB-5hzkB:
18.1		 4r3aB-5hzkB:
26.42
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.
5hzk INTERSECTIN-1,NPH1-1
,INTERSECTIN-1

(Avena sativa;
Homo sapiens) 		PF00621
(RhoGEF)
PF13426
(PAS_9)
PF16652
(PH_13) 		5 CYH B1355
ARG B1356
ILE B1375
GLY B1416
GLN B1418
 FMN  B1801 (-3.5A)
FMN  B1801 (-3.9A)
FMN  B1801 (-4.9A)
FMN  B1801 (-3.7A)
FMN  B1801 (-3.7A)
 0.95A 4r3aB-5hzkB:
18.1		 4r3aB-5hzkB:
26.42
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.
5icq METHYLOCYSTIS PARVUS
OBBP MBNE

(Methylocystis
parvus) 		PF00496
(SBP_bac_5) 		5 LEU A  70
ALA A 579
ILE A 584
LEU A 602
GLY A 599
 None
 0.98A 4r3aB-5icqA:
undetectable		 4r3aB-5icqA:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5it5 ATP BINDING
MOTIF-CONTAINING
PROTEIN PILF

(Thermus
thermophilus) 		no annotation 5 ARG F 754
ALA F 851
ILE F 765
LEU F 769
GLY F 771
 None
 0.96A 4r3aB-5it5F:
2.8		 4r3aB-5it5F:
21.18
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.
5j3w SENSORY BOX PROTEIN

(Pseudomonas
putida) 		PF13426
(PAS_9) 		9 ALA A  21
LEU A  30
CYH A  53
ARG A  54
ASN A  85
ASN A  95
LEU A  97
GLY A 114
GLN A 116
 FMN  A 500 (-3.6A)
None
FMN  A 500 (-3.6A)
FMN  A 500 (-3.5A)
FMN  A 500 (-3.0A)
FMN  A 500 (-4.3A)
FMN  A 500 (-4.2A)
FMN  A 500 (-3.8A)
FMN  A 500 (-4.5A)
 0.63A 4r3aB-5j3wA:
13.4		 4r3aB-5j3wA:
20.11
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.
5j6s ENDOPLASMIC
RETICULUM
AMINOPEPTIDASE 2

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		5 ALA A 265
ALA A 327
ILE A 326
GLY A 340
GLN A 375
 None
 0.93A 4r3aB-5j6sA:
undetectable		 4r3aB-5j6sA:
15.82
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.
5m0y CELLULOSOME
ANCHORING PROTEIN
COHESIN REGION
IG DOMAIN PROTEIN
GROUP 2 DOMAIN
PROTEIN

(Ruminiclostridium
thermocellum) 		PF00963
(Cohesin)
no annotation 		5 ALA A 110
LEU A 109
ALA B 151
ILE B 150
GLY A  91
 None
 1.01A 4r3aB-5m0yA:
undetectable		 4r3aB-5m0yA:
19.94
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.
5mfb YIII(DQ)4CQI

(synthetic
construct) 		PF00514
(Arm) 		5 ALA A 180
ALA A 204
ILE A 203
ASN A 169
ASN A 210
 None
 0.98A 4r3aB-5mfbA:
undetectable		 4r3aB-5mfbA:
23.25
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.
5ng6 CRISPR-ASSOCIATED
ENDONUCLEASE CPF1

(Francisella
tularensis) 		no annotation 5 ALA A 459
LEU A 460
ILE A 542
LEU A 399
GLY A 414
 None
 0.81A 4r3aB-5ng6A:
undetectable		 4r3aB-5ng6A:
13.63
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.
5no7 LYTIC POLYSACCHARIDE
MONOOXYGENASE

(Trametes
cinnabarina) 		no annotation 5 ALA A 242
ILE A 241
ILE A 165
GLY A 172
GLN A 174
 BMA  A 321 ( 4.4A)
MAN  A 322 (-4.7A)
None
None
None
 0.99A 4r3aB-5no7A:
undetectable		 4r3aB-5no7A:
13.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5svw ADAGIO PROTEIN 1

(Arabidopsis
thaliana) 		no annotation 7 CYH B  54
ARG B  55
ILE B  83
ASN B  95
ASN B 105
LEU B 107
GLN B 126
 FMN  B5201 (-3.3A)
FMN  B5201 (-3.8A)
FMN  B5201 (-4.2A)
FMN  B5201 (-2.4A)
FMN  B5201 (-3.8A)
FMN  B5201 ( 4.5A)
FMN  B5201 (-3.8A)
 0.95A 4r3aB-5svwB:
13.9		 4r3aB-5svwB:
19.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5svw ADAGIO PROTEIN 1

(Arabidopsis
thaliana) 		no annotation 7 CYH B  54
ARG B  55
ILE B  83
ASN B  95
ASN B 105
LEU B 107
GLY B 124
 FMN  B5201 (-3.3A)
FMN  B5201 (-3.8A)
FMN  B5201 (-4.2A)
FMN  B5201 (-2.4A)
FMN  B5201 (-3.8A)
FMN  B5201 ( 4.5A)
FMN  B5201 (-3.0A)
 0.63A 4r3aB-5svwB:
13.9		 4r3aB-5svwB:
19.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xoe ATP-DEPENDENT
6-PHOSPHOFRUCTOKINAS
E

(Staphylococcus
aureus) 		no annotation 5 LEU A 276
ALA A   5
ILE A   4
ILE A 100
GLY A 271
 None
 1.01A 4r3aB-5xoeA:
undetectable		 4r3aB-5xoeA:
13.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xxo PERIPLASMIC
BETA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		no annotation 5 LEU A 410
ALA A 419
ILE A 418
LEU A 447
GLY A 587
 None
 0.83A 4r3aB-5xxoA:
undetectable		 4r3aB-5xxoA:
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.
6bv2 AMINOPEPTIDASE N

(Sus scrofa) 		no annotation 5 ALA A 276
ALA A 340
ILE A 339
GLY A 353
GLN A 388
 None
 0.90A 4r3aB-6bv2A:
undetectable		 4r3aB-6bv2A:
14.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bv2 AMINOPEPTIDASE N

(Sus scrofa) 		no annotation 5 ALA A 340
ILE A 339
ILE A 381
GLY A 353
GLN A 388
 None
 0.99A 4r3aB-6bv2A:
undetectable		 4r3aB-6bv2A:
14.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c6l V-TYPE PROTON ATPASE
SUBUNIT A, VACUOLAR
ISOFORM
V-TYPE PROTON ATPASE
SUBUNIT C'
V-TYPE PROTON ATPASE
SUBUNIT C''

(Saccharomyces
cerevisiae) 		no annotation 5 ALA D  77
LEU D  74
ALA C 206
ILE A 613
LEU A 617
 None
 0.96A 4r3aB-6c6lD:
undetectable		 4r3aB-6c6lD:
11.66
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.
6gbv PUTATIVE BLUE-LIGHT
PHOTORECEPTOR

(Dinoroseobacter
shibae) 		no annotation 8 CYH A  72
ARG A  73
ILE A 102
ASN A 104
ASN A 114
LEU A 116
GLY A 133
GLN A 135
 FMN  A 500 (-3.7A)
FMN  A 500 (-4.5A)
FMN  A 500 ( 4.3A)
FMN  A 500 (-3.0A)
FMN  A 500 (-4.0A)
FMN  A 500 (-4.1A)
FMN  A 500 (-3.9A)
FMN  A 500 (-3.8A)
 0.65A 4r3aB-6gbvA:
14.8		 4r3aB-6gbvA:
undetectable