SIMILAR PATTERNS OF AMINO ACIDS FOR 4R3A_B_RBFB402_1

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) 		5 ASN A 965
LEU A 969
GLN A 970
VAL A 979
PHE A1025
 FMN  A1033 (-3.2A)
FMN  A1033 (-4.1A)
FMN  A1033 (-3.1A)
FMN  A1033 ( 4.9A)
FMN  A1033 ( 4.6A)
 0.76A 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.
1k1x 4-ALPHA-GLUCANOTRANS
FERASE

(Thermococcus
litoralis) 		PF03065
(Glyco_hydro_57)
PF09094
(DUF1925)
PF09095
(DUF1926) 		5 ILE A  10
LEU A  66
LEU A  72
MET A  35
PHE A  34
 None
 1.36A 4r3aB-1k1xA:
undetectable		 4r3aB-1k1xA:
20.03
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.
1n9l PUTATIVE BLUE LIGHT
RECEPTOR

(Chlamydomonas
reinhardtii) 		PF13426
(PAS_9) 		5 ASN A  56
LEU A  60
GLN A  61
VAL A  70
PHE A 116
 FMN  A 500 (-2.9A)
FMN  A 500 (-4.3A)
FMN  A 500 (-3.3A)
FMN  A 500 (-4.3A)
FMN  A 500 (-4.8A)
 0.62A 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.
1olt OXYGEN-INDEPENDENT
COPROPORPHYRINOGEN
III OXIDASE

(Escherichia
coli) 		PF04055
(Radical_SAM)
PF06969
(HemN_C) 		5 THR A 206
ILE A 201
GLU A 200
ASN A 196
LEU A 232
 None
 1.47A 4r3aB-1oltA:
undetectable		 4r3aB-1oltA:
23.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vdk FUMARATE HYDRATASE
CLASS II

(Thermus
thermophilus) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		5 ASN A 359
VAL A 275
LEU A 274
MET A 148
PHE A 144
 None
 1.48A 4r3aB-1vdkA:
undetectable		 4r3aB-1vdkA:
24.05
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.
2dt9 ASPARTOKINASE

(Thermus
thermophilus) 		PF01842
(ACT)
PF13840
(ACT_7) 		5 ILE A 129
LEU A  12
VAL A 101
MET A 115
PHE A 116
 None
 1.26A 4r3aB-2dt9A:
2.5		 4r3aB-2dt9A:
19.55
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.
2ehh DIHYDRODIPICOLINATE
SYNTHASE

(Aquifex
aeolicus) 		PF00701
(DHDPS) 		5 ILE A 173
LEU A 222
VAL A 202
LEU A 184
PHE A 181
 None
 1.39A 4r3aB-2ehhA:
undetectable		 4r3aB-2ehhA:
22.49
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.
2f4z TGTWINSCAN_2721 - E2
DOMAIN

(Toxoplasma
gondii) 		PF00179
(UQ_con) 		5 LEU A 155
GLN A 152
VAL A  65
LEU A 148
MET A 111
 None
 1.37A 4r3aB-2f4zA:
undetectable		 4r3aB-2f4zA:
18.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gf9 RAS-RELATED PROTEIN
RAB-3D

(Homo sapiens) 		PF00071
(Ras) 		5 ILE A  71
LEU A  39
VAL A 175
LEU A 179
PHE A  23
 None
 1.24A 4r3aB-2gf9A:
undetectable		 4r3aB-2gf9A:
20.69
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.
2jgp TYROCIDINE
SYNTHETASE 3

(Brevibacillus
brevis) 		PF00550
(PP-binding)
PF00668
(Condensation) 		5 THR A 220
ILE A 226
LEU A 236
VAL A 230
MET A 123
 DIO  A1525 ( 3.8A)
None
DIO  A1525 ( 3.8A)
None
None
 1.17A 4r3aB-2jgpA:
undetectable		 4r3aB-2jgpA:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 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) 		5 ASN A  61
LEU A  65
GLN A  66
VAL A  75
PHE A 119
 FMN  A 900 (-2.0A)
FMN  A 900 ( 4.1A)
FMN  A 900 (-2.6A)
None
None
 1.14A 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.
2nzt HEXOKINASE-2

(Homo sapiens) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		5 THR A 172
ILE A 229
ASN A 208
LEU A 168
LEU A  85
 GLC  A1001 (-2.7A)
GLC  A1001 (-4.2A)
GLC  A1001 ( 3.0A)
None
None
 1.49A 4r3aB-2nztA:
undetectable		 4r3aB-2nztA:
18.03
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.
2pr5 BLUE-LIGHT
PHOTORECEPTOR

(Bacillus
subtilis) 		PF13426
(PAS_9) 		5 ASN A  61
LEU A  65
GLN A  66
VAL A  75
PHE A 119
 FMN  A 500 (-3.2A)
FMN  A 500 (-4.4A)
FMN  A 500 (-3.1A)
FMN  A 500 (-4.6A)
FMN  A 500 ( 4.8A)
 0.58A 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.
2v4y URIDYLATE KINASE

(Escherichia
coli) 		PF00696
(AA_kinase) 		5 GLU A  19
ASN A  59
LEU A  34
LEU A  16
MET A 220
 GTP  A1243 (-2.7A)
None
None
None
None
 1.38A 4r3aB-2v4yA:
undetectable		 4r3aB-2v4yA:
23.50
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.
2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1

(Avena sativa;
Homo sapiens) 		PF00071
(Ras)
PF13426
(PAS_9) 		5 ASN A 449
LEU A 453
GLN A 454
VAL A 463
PHE A 509
 FMN  A1725 (-3.0A)
FMN  A1725 (-4.2A)
FMN  A1725 (-3.1A)
FMN  A1725 (-4.6A)
None
 0.65A 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.
2xf4 HYDROXYACYLGLUTATHIO
NE HYDROLASE

(Salmonella
enterica) 		PF00753
(Lactamase_B) 		5 ILE A 189
GLN A  51
VAL A 117
LEU A 124
MET A   1
 None
 1.48A 4r3aB-2xf4A:
undetectable		 4r3aB-2xf4A:
22.73
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.
3ble CITRAMALATE SYNTHASE
FROM LEPTOSPIRA
INTERROGANS

(Leptospira
interrogans) 		PF00682
(HMGL-like) 		5 ILE A 289
GLU A 247
ASN A 235
LEU A  42
PHE A 321
 None
 1.44A 4r3aB-3bleA:
undetectable		 4r3aB-3bleA:
23.43
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.
3cai POSSIBLE
AMINOTRANSFERASE

(Mycobacterium
tuberculosis) 		PF00266
(Aminotran_5) 		5 THR A 174
ILE A 109
ASN A 118
VAL A 212
MET A 179
 None
 1.32A 4r3aB-3caiA:
undetectable		 4r3aB-3caiA:
22.51
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.
3cmm UBIQUITIN-ACTIVATING
ENZYME E1 1

(Saccharomyces
cerevisiae) 		PF00899
(ThiF)
PF09358
(E1_UFD)
PF10585
(UBA_e1_thiolCys)
PF16190
(E1_FCCH)
PF16191
(E1_4HB) 		5 THR A 540
GLU A 448
ASN A 452
LEU A 458
VAL A 502
 None
 1.35A 4r3aB-3cmmA:
undetectable		 4r3aB-3cmmA:
17.28
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.
3j1c CHAPERONIN ALPHA
SUBUNIT

(Acidianus
tengchongensis) 		PF00118
(Cpn60_TCP1) 		5 THR A 517
ILE A 454
GLU A 422
LEU A 134
LEU A 429
 None
 1.34A 4r3aB-3j1cA:
undetectable		 4r3aB-3j1cA:
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.
3m0z PUTATIVE ALDOLASE

(Klebsiella
pneumoniae) 		PF07071
(KDGP_aldolase) 		5 THR A 190
ILE A 213
LEU A  17
VAL A 234
LEU A 237
 None
 1.19A 4r3aB-3m0zA:
undetectable		 4r3aB-3m0zA:
21.59
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.
3mtq PUTATIVE
PHOSPHOENOLPYRUVATE-
DEPENDENT SUGAR
PHOSPHOTRANSFERASE
SYSTEM (PTS)
PERMEASE

(Klebsiella
pneumoniae) 		PF03610
(EIIA-man) 		5 ILE A  64
LEU A  44
VAL A  52
LEU A  51
PHE A   7
 None
 1.48A 4r3aB-3mtqA:
undetectable		 4r3aB-3mtqA:
18.16
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.
3o0r NITRIC OXIDE
REDUCTASE SUBUNIT B

(Pseudomonas
aeruginosa) 		PF00115
(COX1) 		5 ILE B 364
LEU B  63
GLN B  30
LEU B  68
PHE B  20
 None
None
HEM  B 801 (-3.5A)
None
None
 1.50A 4r3aB-3o0rB:
undetectable		 4r3aB-3o0rB:
22.43
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.
3ovz CATHEPSIN K

(Homo sapiens) 		PF00112
(Peptidase_C1) 		5 THR A  42
LEU A  46
VAL A  31
LEU A  34
MET A 215
 None
 1.38A 4r3aB-3ovzA:
undetectable		 4r3aB-3ovzA:
20.82
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.
3r2u METALLO-BETA-LACTAMA
SE FAMILY PROTEIN

(Staphylococcus
aureus) 		PF00753
(Lactamase_B) 		5 ILE A 147
GLN A 239
LEU A 235
MET A 175
PHE A 146
 None
 1.44A 4r3aB-3r2uA:
undetectable		 4r3aB-3r2uA:
22.22
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.
3rg1 CD180 MOLECULE

(Bos taurus) 		PF00560
(LRR_1)
PF13855
(LRR_8) 		5 ILE A 137
LEU A 127
VAL A 107
LEU A 108
MET A 116
 None
 1.46A 4r3aB-3rg1A:
undetectable		 4r3aB-3rg1A:
20.82
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.
3rg1 CD180 MOLECULE

(Bos taurus) 		PF00560
(LRR_1)
PF13855
(LRR_8) 		5 ILE A 137
VAL A 107
LEU A 108
MET A 116
PHE A 142
 None
 1.25A 4r3aB-3rg1A:
undetectable		 4r3aB-3rg1A:
20.82
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.
3slc ACETATE KINASE

(Salmonella
enterica) 		PF00871
(Acetate_kinase) 		5 THR A 331
ILE A 207
GLN A 191
VAL A 201
LEU A 204
 None
 1.45A 4r3aB-3slcA:
undetectable		 4r3aB-3slcA:
22.25
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.
3tbk RIG-I HELICASE
DOMAIN

(Mus musculus) 		PF00271
(Helicase_C)
PF04851
(ResIII) 		5 THR A 378
ILE A 371
ASN A 260
LEU A 392
LEU A 364
 None
 1.36A 4r3aB-3tbkA:
undetectable		 4r3aB-3tbkA:
20.32
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.
3ty4 PROBABLE
HOMOISOCITRATE
DEHYDROGENASE

(Schizosaccharomyces
pombe) 		PF00180
(Iso_dh) 		5 ILE A  93
ASN A 105
LEU A 311
VAL A 272
PHE A  76
 None
 1.48A 4r3aB-3ty4A:
undetectable		 4r3aB-3ty4A:
23.33
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.
3umm PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE

(Salmonella
enterica) 		PF02769
(AIRS_C)
PF13507
(GATase_5) 		5 THR A 721
ILE A 734
LEU A 714
VAL A 760
LEU A 764
 None
 1.39A 4r3aB-3ummA:
undetectable		 4r3aB-3ummA:
15.51
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.
3zpp CELL WALL SURFACE
ANCHOR FAMILY
PROTEIN

(Streptococcus
pneumoniae) 		PF12708
(Pectate_lyase_3)
PF13229
(Beta_helix) 		5 THR A 490
ILE A 508
ASN A 461
LEU A 413
VAL A 404
 None
 1.46A 4r3aB-3zppA:
undetectable		 4r3aB-3zppA:
22.29
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) 		5 ASN A  61
LEU A  65
GLN A  66
VAL A  75
PHE A 119
 FMN  A 401 (-3.1A)
FMN  A 401 (-4.5A)
FMN  A 401 (-3.2A)
FMN  A 401 ( 4.6A)
FMN  A 401 (-4.7A)
 0.70A 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) 		5 ASN A 511
LEU A 515
GLN A 516
VAL A 525
PHE A 571
 FMN  A 701 (-2.9A)
FMN  A 701 (-4.4A)
FMN  A 701 (-3.3A)
FMN  A 701 (-4.9A)
FMN  A 701 (-4.9A)
 0.66A 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) 		5 THR A  21
ASN A  54
LEU A  58
GLN A  59
PHE A 114
 FMN  A 201 (-4.4A)
FMN  A 201 (-3.1A)
FMN  A 201 (-4.4A)
FMN  A 201 (-3.6A)
None
 0.43A 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.
4jkl BETA-GLUCURONIDASE

(Streptococcus
agalactiae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		5 ILE A 442
GLU A 408
ASN A 407
LEU A 136
PHE A 357
 None
 1.29A 4r3aB-4jklA:
undetectable		 4r3aB-4jklA:
19.93
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.
4m6w FANCONI ANEMIA GROUP
M PROTEIN
FANCONI
ANEMIA-ASSOCIATED
PROTEIN OF 24 KDA

(Homo sapiens) 		PF02732
(ERCC4)
PF12826
(HHH_2) 		5 THR B 108
ILE A1932
LEU B  59
VAL B 129
PHE A1934
 None
 1.40A 4r3aB-4m6wB:
undetectable		 4r3aB-4m6wB:
22.00
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.
4ovy HALOACID
DEHALOGENASE DOMAIN
PROTEIN HYDROLASE

(Planctopirus
limnophila) 		PF12710
(HAD) 		5 THR A 283
GLU A  73
ASN A 257
LEU A 304
PHE A 289
 None
CA  A 409 ( 4.1A)
CA  A 409 (-2.8A)
None
None
 1.38A 4r3aB-4ovyA:
undetectable		 4r3aB-4ovyA:
23.26
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.
4q0g PROBABLE
ACETYL-/PROPIONYL-CO
A CARBOXYLASE (BETA
SUBUNIT) ACCD1

(Mycobacterium
tuberculosis) 		PF01039
(Carboxyl_trans) 		5 THR A 503
ILE A 497
LEU A 367
GLN A 368
LEU A 428
 None
 1.33A 4r3aB-4q0gA:
undetectable		 4r3aB-4q0gA:
22.56
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) 		10 THR A  21
ILE A  25
GLU A  30
ASN A  54
LEU A  58
GLN A  59
VAL A  68
LEU A  71
MET A 101
PHE A 114
 RBF  A 201 (-3.1A)
None
None
RBF  A 201 (-2.6A)
RBF  A 201 (-3.9A)
RBF  A 201 (-3.0A)
RBF  A 201 (-3.3A)
RBF  A 201 ( 3.6A)
RBF  A 201 (-3.2A)
RBF  A 201 (-4.4A)
 0.59A 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) 		5 THR A  21
ILE A  75
LEU A  58
MET A 101
PHE A 114
 RBF  A 201 (-3.1A)
RBF  A 201 (-4.2A)
RBF  A 201 (-3.9A)
RBF  A 201 (-3.2A)
RBF  A 201 (-4.4A)
 1.42A 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.
4ri2 PHOTOSYSTEM II 22
KDA PROTEIN,
CHLOROPLASTIC

(Spinacia
oleracea) 		PF00504
(Chloroa_b-bind) 		5 THR A 174
ILE A 178
GLU A 182
VAL A 189
LEU A  52
 None
 1.40A 4r3aB-4ri2A:
undetectable		 4r3aB-4ri2A:
21.29
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.
4wuj GLYCOSIDE HYDROLASE
FAMILY 15, CELLULOSE
SIGNALING ASSOCIATED
PROTEIN ENVOY

(Trichoderma
reesei) 		PF13426
(PAS_9) 		6 THR A 101
ILE A 105
ASN A 134
LEU A 138
GLN A 139
VAL A 154
 FMN  A5201 (-3.4A)
None
FMN  A5201 (-2.5A)
FMN  A5201 (-3.7A)
FMN  A5201 (-3.1A)
FMN  A5201 (-3.6A)
 0.65A 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.
5a8b PTAUREO1A LOV2
DOMAIN

(Phaeodactylum
tricornutum) 		PF13426
(PAS_9) 		5 ASN A 286
LEU A 290
GLN A 291
VAL A 300
PHE A 346
 FMN  A 500 (-3.2A)
FMN  A 500 (-4.0A)
FMN  A 500 (-3.0A)
None
FMN  A 500 (-4.8A)
 0.78A 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.
5cwv NUCLEOPORIN NUP192

(Chaetomium
thermophilum) 		PF11894
(Nup192) 		5 GLU A1545
LEU A1584
VAL A1536
LEU A1535
MET A1495
 None
 1.35A 4r3aB-5cwvA:
undetectable		 4r3aB-5cwvA:
22.65
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.
5dju NPH1-2

(Avena sativa) 		PF13426
(PAS_9) 		5 ASN A 449
LEU A 453
GLN A 454
VAL A 463
PHE A 509
 FMN  A 601 ( 3.1A)
FMN  A 601 (-4.0A)
FMN  A 601 (-3.1A)
FMN  A 601 (-4.6A)
None
 0.63A 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.
5gqf LACTO-N-BIOSIDASE

(Bifidobacterium
longum) 		no annotation 5 THR A 159
ILE A 103
ASN A  76
VAL A  51
LEU A  90
 None
 1.43A 4r3aB-5gqfA:
undetectable		 4r3aB-5gqfA:
19.50
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.
5hb0 NUCLEOPORIN NUP170

(Chaetomium
thermophilum) 		no annotation 5 THR B1242
ILE B1170
GLN B1234
LEU B1189
PHE B1171
 None
 1.38A 4r3aB-5hb0B:
undetectable		 4r3aB-5hb0B:
22.55
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.
5hb1 NUCLEOPORIN NUP170

(Chaetomium
thermophilum) 		PF03177
(Nucleoporin_C) 		5 THR A1242
ILE A1170
GLN A1234
LEU A1189
PHE A1171
 None
 1.48A 4r3aB-5hb1A:
undetectable		 4r3aB-5hb1A:
18.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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) 		5 ASN A  96
LEU A 100
GLN A 101
VAL A 110
PHE A 156
 FMN  A 402 (-3.2A)
FMN  A 402 (-4.1A)
FMN  A 402 (-2.9A)
FMN  A 402 (-4.5A)
FMN  A 402 (-4.9A)
 0.59A 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) 		5 ASN B1354
LEU B1358
GLN B1359
VAL B1368
PHE B1414
 FMN  B1801 (-3.0A)
FMN  B1801 (-4.2A)
FMN  B1801 (-3.0A)
FMN  B1801 (-4.5A)
FMN  B1801 (-4.8A)
 0.66A 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.
5it3 LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1A

(Homo sapiens) 		PF04433
(SWIRM) 		5 THR A 234
ILE A 227
ASN A 263
LEU A 256
LEU A 222
 None
 1.40A 4r3aB-5it3A:
undetectable		 4r3aB-5it3A:
12.65
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.
5k1c WD REPEAT-CONTAINING
PROTEIN 48

(Homo sapiens) 		PF00400
(WD40) 		5 THR B 115
ILE B 141
LEU B 149
VAL B  82
LEU B 123
 None
 1.49A 4r3aB-5k1cB:
undetectable		 4r3aB-5k1cB:
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.
5oom ACYL CARRIER
PROTEIN,
MITOCHONDRIAL
MIEF1 UPSTREAM OPEN
READING FRAME
PROTEIN

(Homo sapiens) 		PF00467
(KOW)
PF01016
(Ribosomal_L27)
PF17136
(ribosomal_L24) 		5 ILE v  35
LEU w 110
GLN w 115
LEU v  10
PHE v  39
 None
 1.22A 4r3aB-5oomv:
undetectable		 4r3aB-5oomv:
13.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5svw ADAGIO PROTEIN 1

(Arabidopsis
thaliana) 		no annotation 5 ILE B 122
ASN B  53
LEU B  57
GLN B  58
VAL B  76
 FMN  B5201 (-3.1A)
FMN  B5201 (-2.9A)
FMN  B5201 (-3.7A)
FMN  B5201 (-3.1A)
FMN  B5201 (-3.8A)
 1.00A 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.
5u4h UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii) 		PF00275
(EPSP_synthase) 		5 THR A 252
ILE A 234
LEU A 410
VAL A 378
LEU A 379
 None
 1.44A 4r3aB-5u4hA:
undetectable		 4r3aB-5u4hA:
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.
5u9p GLUCONATE
5-DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF13561
(adh_short_C2) 		5 ILE A 144
ASN A  96
LEU A 198
VAL A 224
LEU A 227
 None
NAP  A 301 (-3.3A)
NAP  A 301 ( 3.5A)
None
None
 1.30A 4r3aB-5u9pA:
undetectable		 4r3aB-5u9pA:
25.14
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.
5veh KYNURENINE
AMINOTRANSFERASE

(Aedes aegypti) 		no annotation 5 THR A 256
GLU A 222
LEU A  86
VAL A  94
LEU A  93
 LLP  A 255 ( 4.4A)
None
None
None
None
 1.08A 4r3aB-5vehA:
undetectable		 4r3aB-5vehA:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wna MAB 3D3 FAB HEAVY
CHAIN
MAJOR SURFACE
GLYCOPROTEIN G

(Homo sapiens;
Human
orthopneumovirus) 		no annotation 5 ILE B 189
GLU H  30
ASN H  74
LEU H  79
LEU H  27
 None
 1.26A 4r3aB-5wnaB:
undetectable		 4r3aB-5wnaB:
5.85
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.
5wsl KERATINASE

(Meiothermus
taiwanensis) 		no annotation 5 THR A 177
ILE A 147
LEU A 139
MET A 129
PHE A 153
 CA  A 302 (-3.5A)
None
None
None
None
 1.24A 4r3aB-5wslA:
undetectable		 4r3aB-5wslA:
21.81
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.
6gbv PUTATIVE BLUE-LIGHT
PHOTORECEPTOR

(Dinoroseobacter
shibae) 		no annotation 5 ASN A  71
LEU A  75
GLN A  76
VAL A  85
PHE A 131
 FMN  A 500 ( 3.2A)
FMN  A 500 (-4.0A)
FMN  A 500 (-4.2A)
FMN  A 500 (-4.3A)
FMN  A 500 (-4.8A)
 1.03A 4r3aB-6gbvA:
14.8		 4r3aB-6gbvA:
undetectable