SIMILAR PATTERNS OF AMINO ACIDS FOR 1RQP_A_SAMA500_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.
1f20 NITRIC-OXIDE
SYNTHASE

(Rattus
norvegicus) 		PF00175
(NAD_binding_1)
PF00667
(FAD_binding_1) 		4 ASP A1289
PHE A1281
SER A1313
ARG A1314
 None
None
NAP  A1502 (-2.6A)
NAP  A1502 (-4.0A)
 1.18A 1rqpB-1f20A:
3.5		 1rqpB-1f20A:
20.37
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.
1g8k ARSENITE OXIDASE

(Alcaligenes
faecalis) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		4 PHE A 460
ASN A 458
SER A 162
ARG A 193
 None
 1.37A 1rqpB-1g8kA:
undetectable		 1rqpB-1g8kA:
16.91
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.
1poi GLUTACONATE COENZYME
A-TRANSFERASE
GLUTACONATE COENZYME
A-TRANSFERASE

(Acidaminococcus
fermentans;
Acidaminococcus
fermentans) 		PF01144
(CoA_trans)
PF01144
(CoA_trans) 		4 ASP A 100
ASN A  72
PHE A  87
SER B 121
 None
 1.15A 1rqpB-1poiA:
undetectable		 1rqpB-1poiA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q2y SIMILAR TO
HYPOTHETICAL
PROTEINS

(Bacillus
subtilis) 		PF13673
(Acetyltransf_10) 		4 ASP A  36
PHE A  16
SER A  42
ARG A  60
 None
 1.36A 1rqpB-1q2yA:
undetectable		 1rqpB-1q2yA:
18.69
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.
1tll NITRIC-OXIDE
SYNTHASE, BRAIN

(Rattus
norvegicus) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		4 ASP A1289
PHE A1281
SER A1313
ARG A1314
 NAP  A1453 ( 4.5A)
None
NAP  A1453 (-2.3A)
NAP  A1453 (-4.0A)
 1.36A 1rqpB-1tllA:
3.1		 1rqpB-1tllA:
17.76
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.
1u6l HYPOTHETICAL PROTEIN

(Pseudomonas
aeruginosa) 		PF06983
(3-dmu-9_3-mt) 		4 ASP A 125
PHE A 127
TRP A 131
PHE A  11
 None
 1.48A 1rqpB-1u6lA:
undetectable		 1rqpB-1u6lA:
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.
1uli BIPHENYL DIOXYGENASE
SMALL SUBUNIT

(Rhodococcus
jostii) 		PF00866
(Ring_hydroxyl_B) 		4 PHE B 186
PHE B  42
SER B 107
ARG B 137
 None
 1.06A 1rqpB-1uliB:
undetectable		 1rqpB-1uliB:
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.
1wu7 HISTIDYL-TRNA
SYNTHETASE

(Thermoplasma
acidophilum) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		4 PHE A  39
PHE A 310
SER A 147
ARG A 151
 None
 1.04A 1rqpB-1wu7A:
undetectable		 1rqpB-1wu7A:
21.90
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.
1wu8 HYPOTHETICAL PROTEIN
PH0463

(Pyrococcus
horikoshii) 		PF01887
(SAM_adeno_trans) 		4 ASP A 179
PHE A 181
ASN A 183
SER A 226
 None
 1.09A 1rqpB-1wu8A:
26.5		 1rqpB-1wu8A:
27.72
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.
1y1p ALDEHYDE REDUCTASE
II

(Sporidiobolus
salmonicolor) 		PF01370
(Epimerase) 		4 PHE A 214
PHE A  23
SER A 249
ARG A 328
 ACT  A 803 (-4.5A)
None
None
SO4  A 801 (-3.4A)
 0.71A 1rqpB-1y1pA:
undetectable		 1rqpB-1y1pA:
22.52
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.
2b2i AMMONIUM TRANSPORTER

(Archaeoglobus
fulgidus) 		PF00909
(Ammonium_transp) 		4 ASP A 149
TRP A 137
PHE A 266
SER A 208
 None
 0.98A 1rqpB-2b2iA:
undetectable		 1rqpB-2b2iA:
23.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2c4t 5'-FLUORO-5'-DEOXYAD
ENOSINE SYNTHASE

(Streptomyces
cattleya) 		PF01887
(SAM_adeno_trans) 		7 ASP A 210
PHE A 213
ASN A 215
TRP A 217
PHE A 254
SER A 269
ARG A 270
 None
 0.19A 1rqpB-2c4tA:
46.7		 1rqpB-2c4tA:
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.
2cu2 PUTATIVE
MANNOSE-1-PHOSPHATE
GUANYLYL TRANSFERASE

(Thermus
thermophilus) 		PF00483
(NTP_transferase) 		4 PHE A 166
ASN A 186
PHE A 190
SER A 232
 None
 1.38A 1rqpB-2cu2A:
undetectable		 1rqpB-2cu2A:
24.66
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.
2cw5 BACTERIAL
FLUORINATING ENZYME
HOMOLOG

(Thermus
thermophilus) 		PF01887
(SAM_adeno_trans) 		4 ASP A 182
PHE A 184
ASN A 186
SER A 227
 None
 1.07A 1rqpB-2cw5A:
23.2		 1rqpB-2cw5A:
29.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e1b 216AA LONG
HYPOTHETICAL
ALANYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF01411
(tRNA-synt_2c)
PF07973
(tRNA_SAD) 		4 ASP A  62
ASN A  66
TRP A  68
ARG A  26
 None
 1.21A 1rqpB-2e1bA:
3.0		 1rqpB-2e1bA:
21.90
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.
2f4n HYPOTHETICAL PROTEIN
MJ1651

(Methanocaldococcus
jannaschii) 		PF01887
(SAM_adeno_trans) 		4 ASP A 179
PHE A 181
ASN A 183
SER A 236
 None
 0.77A 1rqpB-2f4nA:
22.7		 1rqpB-2f4nA:
26.73
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.
2gjm LACTOPEROXIDASE

(Bubalus bubalis) 		PF03098
(An_peroxidase) 		4 ASP A 134
PHE A 130
SER A  65
ARG A 403
 None
 1.22A 1rqpB-2gjmA:
undetectable		 1rqpB-2gjmA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hgs PROTEIN (GLUTATHIONE
SYNTHETASE)

(Homo sapiens) 		PF03199
(GSH_synthase)
PF03917
(GSH_synth_ATP) 		4 ASP A 219
PHE A 429
SER A 157
ARG A 158
 None
 1.02A 1rqpB-2hgsA:
undetectable		 1rqpB-2hgsA:
23.40
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.
2hke DIPHOSPHOMEVALONATE
DECARBOXYLASE,
PUTATIVE

(Trypanosoma
brucei) 		PF00288
(GHMP_kinases_N) 		4 PHE A 299
PHE A 301
SER A  38
ARG A 149
 None
 1.00A 1rqpB-2hkeA:
undetectable		 1rqpB-2hkeA:
24.69
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.
2j04 HYPOTHETICAL PROTEIN
YPL007C

(Saccharomyces
cerevisiae) 		PF12660
(zf-TFIIIC) 		4 PHE A 324
ASN A 326
TRP A 321
SER A 318
 None
 1.05A 1rqpB-2j04A:
undetectable		 1rqpB-2j04A:
18.69
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.
2nbr GAMMA-CRYSTALLIN C

(Homo sapiens) 		PF00030
(Crystall) 		4 ASP A  73
ASN A  33
SER A  30
ARG A  76
 None
 1.32A 1rqpB-2nbrA:
undetectable		 1rqpB-2nbrA:
21.52
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.
2obe HEXON

(Human
mastadenovirus
E) 		PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C) 		4 PHE A 692
ASN A 695
SER A 659
ARG A 852
 None
 1.30A 1rqpB-2obeA:
undetectable		 1rqpB-2obeA:
16.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2q6k CHLORINASE

(Salinispora
tropica) 		PF01887
(SAM_adeno_trans) 		6 ASP A 183
PHE A 186
ASN A 188
TRP A 190
PHE A 228
SER A 242
 PEG  A 402 (-2.9A)
None
None
None
None
PEG  A 402 (-3.3A)
 0.79A 1rqpB-2q6kA:
31.4		 1rqpB-2q6kA:
38.49
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.
2qtz METHIONINE SYNTHASE
REDUCTASE

(Homo sapiens) 		PF00175
(NAD_binding_1)
PF00667
(FAD_binding_1) 		4 ASP A 586
PHE A 578
SER A 610
ARG A 611
 None
None
NAP  A 701 (-2.7A)
NAP  A 701 (-3.9A)
 1.19A 1rqpB-2qtzA:
3.6		 1rqpB-2qtzA:
21.58
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.
2qy6 UPF0209 PROTEIN YFCK

(Escherichia
coli) 		PF05430
(Methyltransf_30) 		4 PHE A 200
ASN A 205
TRP A 209
SER A  85
 None
 1.25A 1rqpB-2qy6A:
undetectable		 1rqpB-2qy6A:
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.
2x3k ACSD

(Dickeya
chrysanthemi) 		PF04183
(IucA_IucC)
PF06276
(FhuF) 		4 ASP A 464
ASN A 447
SER A 279
ARG A 281
 SO4  A1589 ( 3.4A)
AMP  A1588 ( 4.1A)
SO4  A1589 (-3.0A)
None
 1.45A 1rqpB-2x3kA:
undetectable		 1rqpB-2x3kA:
18.57
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.
2xvg ALPHA XYLOSIDASE

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		4 ASP A 234
ASN A 199
SER A 394
ARG A 171
 None
 1.35A 1rqpB-2xvgA:
undetectable		 1rqpB-2xvgA:
15.60
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.
2ya1 PUTATIVE ALKALINE
AMYLOPULLULANASE

(Streptococcus
pneumoniae) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48)
PF03714
(PUD) 		4 ASP A 815
PHE A 732
TRP A 438
ARG A 439
 None
 1.41A 1rqpB-2ya1A:
undetectable		 1rqpB-2ya1A:
15.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT B

(Prochlorococcus
marinus) 		PF00148
(Oxidored_nitro)
PF08369
(PCP_red) 		4 ASP D 417
PHE D 179
SER D 403
ARG D 401
 EPE  D1529 (-3.0A)
None
EPE  D1529 (-3.0A)
None
 1.37A 1rqpB-2ynmD:
undetectable		 1rqpB-2ynmD:
20.22
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.
2zbv UNCHARACTERIZED
CONSERVED PROTEIN

(Thermotoga
maritima) 		PF01887
(SAM_adeno_trans) 		5 ASP A 178
PHE A 180
ASN A 182
PHE A 220
SER A 234
 None
 0.88A 1rqpB-2zbvA:
30.5		 1rqpB-2zbvA:
28.67
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.
3abg BILIRUBIN OXIDASE

(Albifimbria
verrucaria) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 ASP A 310
ASN A 311
SER A 180
ARG A 232
 None
 1.35A 1rqpB-3abgA:
undetectable		 1rqpB-3abgA:
21.00
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.
3dqq PUTATIVE TRNA
SYNTHASE

(Salmonella
enterica) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		4 ASP A  16
PHE A  20
SER A  85
ARG A 122
 None
 1.29A 1rqpB-3dqqA:
2.5		 1rqpB-3dqqA:
21.91
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.
3ecq ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Streptococcus
pneumoniae) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		4 PHE A 367
ASN A 453
PHE A 347
SER A 449
 None
 1.01A 1rqpB-3ecqA:
undetectable		 1rqpB-3ecqA:
11.10
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.
3eoj BACTERIOCHLOROPHYLL
A PROTEIN

(Prosthecochloris
aestuarii) 		PF02327
(BChl_A) 		4 ASP A 154
ASN A 155
PHE A 108
SER A 111
 NA  A1232 ( 4.9A)
None
BCL  A 371 (-4.2A)
EDO  A 383 ( 4.3A)
 1.43A 1rqpB-3eojA:
undetectable		 1rqpB-3eojA:
25.13
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.
3gzy BIPHENYL DIOXYGENASE
SUBUNIT BETA

(Comamonas
testosteroni) 		PF00866
(Ring_hydroxyl_B) 		4 PHE B 185
PHE B  41
SER B 106
ARG B 136
 None
 1.23A 1rqpB-3gzyB:
undetectable		 1rqpB-3gzyB:
20.40
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.
3h1l MITOCHONDRIAL
UBIQUINOL-CYTOCHROME
-C REDUCTASE COMPLEX
CORE PROTEIN 2

(Gallus gallus) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		4 PHE B 194
PHE B 199
SER B 100
ARG B  70
 None
 1.30A 1rqpB-3h1lB:
undetectable		 1rqpB-3h1lB:
21.74
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.
3hv1 POLAR AMINO ACID ABC
UPTAKE TRANSPORTER
SUBSTRATE BINDING
PROTEIN

(Streptococcus
thermophilus) 		PF00497
(SBP_bac_3) 		4 PHE A  54
ASN A 109
SER A 112
ARG A 117
 None
 1.25A 1rqpB-3hv1A:
undetectable		 1rqpB-3hv1A:
24.02
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.
3ir8 LARGE STOKES SHIFT
FLUORESCENT PROTEIN

(Montipora sp.
20) 		PF01353
(GFP) 		4 PHE A  79
TRP A  89
SER A 175
ARG A  91
 None
None
None
CRQ  A  64 ( 2.8A)
 1.28A 1rqpB-3ir8A:
undetectable		 1rqpB-3ir8A:
19.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k4h PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Bacillus
cytotoxicus) 		PF13377
(Peripla_BP_3) 		4 PHE A 174
ASN A  25
PHE A  28
SER A  17
 MAL  A 501 (-3.0A)
MAL  A 501 (-3.9A)
MAL  A 501 (-4.6A)
None
 1.33A 1rqpB-3k4hA:
3.5		 1rqpB-3k4hA:
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.
3k7x LIN0763 PROTEIN

(Listeria
innocua) 		PF03663
(Glyco_hydro_76) 		4 ASP A 195
PHE A 211
ASN A 214
ARG A 199
 None
 1.45A 1rqpB-3k7xA:
undetectable		 1rqpB-3k7xA:
22.74
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.
3ldf PUTATIVE
UNCHARACTERIZED
PROTEIN SMU.776

(Streptococcus
mutans) 		PF10672
(Methyltrans_SAM) 		4 PHE A 366
ASN A 101
SER A 122
ARG A 154
 None
 1.15A 1rqpB-3ldfA:
undetectable		 1rqpB-3ldfA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ocd SOXA

(Starkeya
novella) 		no annotation 4 ASP A 148
ASN A 145
PHE A  50
SER A 272
 None
 1.05A 1rqpB-3ocdA:
undetectable		 1rqpB-3ocdA:
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.
3pnn CONSERVED DOMAIN
PROTEIN

(Porphyromonas
gingivalis) 		no annotation 4 PHE A 248
ASN A 251
SER A 256
ARG A 258
 None
 1.46A 1rqpB-3pnnA:
undetectable		 1rqpB-3pnnA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ps9 TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC

(Escherichia
coli) 		PF01266
(DAO)
PF05430
(Methyltransf_30) 		4 PHE A 180
ASN A 185
TRP A 189
SER A  65
 SAM  A 670 (-3.6A)
SAM  A 670 ( 4.1A)
None
None
 1.23A 1rqpB-3ps9A:
2.4		 1rqpB-3ps9A:
18.27
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.
3pvl MYOSIN VIIA ISOFORM
1

(Mus musculus) 		PF00784
(MyTH4) 		4 ASP A1551
ASN A1548
SER A1521
ARG A1553
 None
 0.98A 1rqpB-3pvlA:
undetectable		 1rqpB-3pvlA:
18.94
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.
3sun DNA POLYMERASE

(Escherichia
virus RB69) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		4 ASN A 676
PHE A 589
SER A 418
ARG A 421
 None
 1.44A 1rqpB-3sunA:
undetectable		 1rqpB-3sunA:
15.77
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.
3sun DNA POLYMERASE

(Escherichia
virus RB69) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		4 PHE A 280
ASN A 558
PHE A 282
SER A 565
 None
 1.15A 1rqpB-3sunA:
undetectable		 1rqpB-3sunA:
15.77
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.
3ttb EIGHT-HEME NITRITE
REDUCTASE

(Thioalkalivibrio
paradoxus) 		PF02335
(Cytochrom_C552) 		4 ASP A 161
PHE A 137
PHE A 172
SER A 167
 None
 1.49A 1rqpB-3ttbA:
undetectable		 1rqpB-3ttbA:
20.30
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.
3v64 LOW-DENSITY
LIPOPROTEIN
RECEPTOR-RELATED
PROTEIN 4

(Rattus
norvegicus) 		PF00058
(Ldl_recept_b)
PF14670
(FXa_inhibition) 		4 ASN C 667
PHE C 669
SER C 432
ARG C 427
 None
 1.13A 1rqpB-3v64C:
undetectable		 1rqpB-3v64C:
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.
3v9f TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE/RESPONSE
REGULATOR, HYBRID
(ONE-COMPONENT
SYSTEM)

(Bacteroides
thetaiotaomicron) 		PF07494
(Reg_prop)
PF07495
(Y_Y_Y) 		4 ASP A 338
PHE A 340
ASN A 342
TRP A 344
 None
 1.46A 1rqpB-3v9fA:
undetectable		 1rqpB-3v9fA:
17.26
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.
3vzh PUTATIVE
UNCHARACTERIZED
PROTEIN

(Streptococcus
pyogenes) 		PF09704
(Cas_Cas5d) 		5 PHE A 101
ASN A  55
PHE A  99
SER A 126
ARG A 132
 None
 1.14A 1rqpB-3vzhA:
undetectable		 1rqpB-3vzhA:
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.
4dvg RHO-LIKE SMALL
GTPASE

(Entamoeba
histolytica) 		PF00071
(Ras) 		4 ASP A  28
ASN A 109
TRP A 114
ARG A  85
 None
 1.45A 1rqpB-4dvgA:
undetectable		 1rqpB-4dvgA:
21.71
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.
4dvz CYTOTOXICITY-ASSOCIA
TED IMMUNODOMINANT
ANTIGEN

(Helicobacter
pylori) 		no annotation 4 ASP A 403
PHE A 426
ASN A 400
SER A 605
 None
 1.39A 1rqpB-4dvzA:
undetectable		 1rqpB-4dvzA:
17.64
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.
4em6 GLUCOSE-6-PHOSPHATE
ISOMERASE

(Brucella
melitensis) 		no annotation 4 ASP D  51
PHE D  38
PHE D  31
SER D 427
 None
 1.25A 1rqpB-4em6D:
undetectable		 1rqpB-4em6D:
22.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mit RHO FAMILY GTPASE

(Entamoeba
histolytica) 		PF00071
(Ras) 		4 ASP A  18
ASN A  99
TRP A 104
ARG A  75
 None
 1.49A 1rqpB-4mitA:
undetectable		 1rqpB-4mitA:
19.80
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.
4n0i GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF01425
(Amidase) 		4 PHE A 365
PHE A 369
SER A 431
ARG A 156
 None
 1.16A 1rqpB-4n0iA:
1.4		 1rqpB-4n0iA:
21.73
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.
4n0r PUTATIVE GLYCOSIDE
HYDROLASE

(Bacteroides
vulgatus) 		PF13204
(DUF4038)
PF16586
(DUF5060) 		4 ASP A 220
ASN A 223
SER A 265
ARG A  75
 GOL  A 609 ( 3.9A)
None
None
None
 1.47A 1rqpB-4n0rA:
2.4		 1rqpB-4n0rA:
19.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o92 GLUTATHIONE
S-TRANSFERASE

(Pichia
kudriavzevii) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 ASP A  56
PHE A  58
PHE A  52
SER A  73
 None
 1.48A 1rqpB-4o92A:
2.5		 1rqpB-4o92A:
20.93
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.
4r0j UNCHARACTERIZED
PROTEIN

(Streptococcus
mutans) 		PF09704
(Cas_Cas5d) 		5 PHE A 103
ASN A  57
PHE A 101
SER A 128
ARG A 134
 None
None
None
SO4  A 303 ( 4.7A)
SO4  A 303 (-4.1A)
 1.20A 1rqpB-4r0jA:
undetectable		 1rqpB-4r0jA:
21.32
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.
4zht BIFUNCTIONAL
UDP-N-ACETYLGLUCOSAM
INE
2-EPIMERASE/N-ACETYL
MANNOSAMINE KINASE

(Homo sapiens) 		PF02350
(Epimerase_2) 		4 PHE A 284
PHE A 287
SER A 302
ARG A 306
 UDP  A 501 (-4.8A)
UDP  A 501 (-3.4A)
UDP  A 501 (-2.5A)
None
 1.49A 1rqpB-4zhtA:
undetectable		 1rqpB-4zhtA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a55 ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Streptococcus
pneumoniae) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		4 PHE A 367
ASN A 453
PHE A 347
SER A 449
 None
 1.10A 1rqpB-5a55A:
undetectable		 1rqpB-5a55A:
12.93
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.
5aex AMMONIUM TRANSPORTER
MEP2

(Saccharomyces
cerevisiae) 		PF00909
(Ammonium_transp) 		4 ASP A 186
TRP A 173
PHE A 309
SER A 249
 None
 1.20A 1rqpB-5aexA:
undetectable		 1rqpB-5aexA:
23.40
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.
5c00 MDBA PROTEIN

(Corynebacterium
diphtheriae) 		PF13462
(Thioredoxin_4) 		4 ASP A 125
ASN A 122
PHE A 201
SER A  90
 None
 1.50A 1rqpB-5c00A:
undetectable		 1rqpB-5c00A:
17.76
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.
5hoe HYDROLASE

(Sinorhizobium
meliloti) 		PF13472
(Lipase_GDSL_2) 		4 ASP A 194
PHE A 152
PHE A 156
SER A  13
 None
None
None
PO4  A 301 (-2.5A)
 1.43A 1rqpB-5hoeA:
3.8		 1rqpB-5hoeA:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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) 		4 ASP A  11
ASN A 241
TRP A 246
ARG A 217
 None
 1.39A 1rqpB-5hzhA:
undetectable		 1rqpB-5hzhA:
22.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5lmz FLUORINASE

(Streptomyces
sp. MA37) 		PF01887
(SAM_adeno_trans) 		7 ASP A 210
PHE A 213
ASN A 215
TRP A 217
PHE A 254
SER A 269
ARG A 270
 None
1DA  A 301 (-3.0A)
1DA  A 301 (-2.0A)
None
1DA  A 301 (-3.3A)
None
None
 0.72A 1rqpB-5lmzA:
43.1		 1rqpB-5lmzA:
87.33
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.
5mlz DOLICHOL
MONOPHOSPHATE
MANNOSE SYNTHASE

(Pyrococcus
furiosus) 		PF00535
(Glycos_transf_2)
PF04138
(GtrA) 		4 PHE A 237
ASN A 281
PHE A 301
SER A 273
 CL  A 403 ( 4.8A)
None
CL  A 403 (-4.6A)
LDA  A 408 (-3.4A)
 1.48A 1rqpB-5mlzA:
2.2		 1rqpB-5mlzA:
23.02
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.
5mlz DOLICHOL
MONOPHOSPHATE
MANNOSE SYNTHASE

(Pyrococcus
furiosus) 		PF00535
(Glycos_transf_2)
PF04138
(GtrA) 		4 PHE A 301
ASN A 345
PHE A 237
SER A 337
 CL  A 403 (-4.6A)
None
CL  A 403 ( 4.8A)
None
 1.22A 1rqpB-5mlzA:
2.2		 1rqpB-5mlzA:
23.02
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.
5xb7 BETA-GALACTOSIDASE

(Bifidobacterium
animalis) 		no annotation 4 PHE A 166
PHE A 200
SER A 206
ARG A 212
 None
None
None
GOL  A 807 (-3.5A)
 1.48A 1rqpB-5xb7A:
undetectable		 1rqpB-5xb7A:
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.
5xev XAA-PRO
DIPEPTIDASE,PEPTIDAS
E-RELATED PROTEIN

(Deinococcus
radiodurans) 		no annotation 4 PHE A 398
TRP A 270
SER A 376
ARG A 277
 None
 1.30A 1rqpB-5xevA:
undetectable		 1rqpB-5xevA:
24.34
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.
6d21 FERM, RHOGEF AND
PLECKSTRIN DOMAIN
PROTEIN 2

(Danio rerio) 		no annotation 4 ASP A 154
PHE A 131
SER A 127
ARG A 125
 None
 1.01A 1rqpB-6d21A:
undetectable		 1rqpB-6d21A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6d6v TELOMERASE
HOLOENZYME TEB2
SUBUNIT
TELOMERASE
HOLOENZYME TEB
HETEROTRIMER TEB3
SUBUNIT

(Tetrahymena
thermophila;
Tetrahymena
thermophila) 		no annotation
no annotation 		4 ASP E  91
ASN E  35
PHE F 118
ARG F  74
 None
 1.49A 1rqpB-6d6vE:
undetectable		 1rqpB-6d6vE:
undetectable