SIMILAR PATTERNS OF AMINO ACIDS FOR 3PCQ_B_PQNB842_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.
1dkg MOLECULAR CHAPERONE
DNAK
NUCLEOTIDE EXCHANGE
FACTOR GRPE

(Escherichia
coli) 		PF00012
(HSP70)
PF01025
(GrpE) 		5 MET A 189
ILE D 286
ALA D 258
LEU D 257
ALA A 158
 None
 1.42A 3pcqB-1dkgA:
undetectable		 3pcqB-1dkgA:
14.05
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.
1ds9 OUTER ARM DYNEIN

(Chlamydomonas
reinhardtii) 		PF12799
(LRR_4) 		5 MET A  69
SER A  65
ILE A  34
ALA A   4
ALA A  42
 None
 1.36A 3pcqB-1ds9A:
undetectable		 3pcqB-1ds9A:
13.65
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.
1ecg GLUTAMINE
PHOSPHORIBOSYLPYROPH
OSPHATE
AMIDOTRANSFERASE

(Escherichia
coli) 		PF00156
(Pribosyltran)
PF13522
(GATase_6) 		5 ARG A 400
ILE A 425
ALA A 417
LEU A 415
ALA A 412
 None
 1.35A 3pcqB-1ecgA:
undetectable		 3pcqB-1ecgA:
19.71
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.
1g6o CAG-ALPHA

(Helicobacter
pylori) 		PF00437
(T2SSE) 		5 PHE A  84
ARG A  29
ALA A 109
LEU A  28
ALA A  31
 None
 1.25A 3pcqB-1g6oA:
undetectable		 3pcqB-1g6oA:
18.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u0k GENE PRODUCT PA4716

(Pseudomonas
aeruginosa) 		PF02567
(PhzC-PhzF) 		5 TRP A   6
SER A 109
TRP A  96
ALA A  80
LEU A  83
 None
 1.33A 3pcqB-1u0kA:
undetectable		 3pcqB-1u0kA:
17.50
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.
1v8d HYPOTHETICAL PROTEIN
(TT1679)

(Thermus
thermophilus) 		PF04260
(DUF436) 		5 MET A  60
PHE A  58
ALA A 203
LEU A 189
ALA A  57
 None
 1.28A 3pcqB-1v8dA:
undetectable		 3pcqB-1v8dA:
14.32
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.
2bkd FRAGILE X MENTAL
RETARDATION 1
PROTEIN

(Homo sapiens) 		PF05641
(Agenet) 		5 PHE N  15
ILE N  94
ALA N  82
LEU N  81
ALA N  14
 None
 1.45A 3pcqB-2bkdN:
undetectable		 3pcqB-2bkdN:
11.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cfo GLUTAMYL-TRNA
SYNTHETASE

(Synechococcus
elongatus) 		PF00749
(tRNA-synt_1c) 		5 MET A 176
PHE A 147
ALA A  85
LEU A  89
ALA A  95
 None
 1.16A 3pcqB-2cfoA:
0.0		 3pcqB-2cfoA:
21.04
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.
2efe SMALL GTP-BINDING
PROTEIN-LIKE

(Arabidopsis
thaliana) 		PF00071
(Ras) 		5 PHE B  90
TRP B 104
ILE B 163
ALA B 119
LEU B 120
 None
 1.44A 3pcqB-2efeB:
undetectable		 3pcqB-2efeB:
14.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pke HALOACID
DELAHOGENASE-LIKE
FAMILY HYDROLASE

(Xanthomonas
campestris) 		PF13419
(HAD_2) 		5 MET A 183
PHE A 181
ALA A 168
LEU A 171
ALA A 178
 None
 1.41A 3pcqB-2pkeA:
1.5		 3pcqB-2pkeA:
17.23
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.
2pv7 T-PROTEIN [INCLUDES:
CHORISMATE MUTASE
(EC 5.4.99.5) (CM)
AND PREPHENATE
DEHYDROGENASE (EC
1.3.1.12) (PDH)]

(Haemophilus
influenzae) 		PF02153
(PDH) 		5 MET A 210
PHE A 203
ILE A 105
LEU A 112
ALA A 205
 None
None
None
NAD  A 400 (-4.0A)
None
 1.34A 3pcqB-2pv7A:
undetectable		 3pcqB-2pv7A:
16.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pv7 T-PROTEIN [INCLUDES:
CHORISMATE MUTASE
(EC 5.4.99.5) (CM)
AND PREPHENATE
DEHYDROGENASE (EC
1.3.1.12) (PDH)]

(Haemophilus
influenzae) 		PF02153
(PDH) 		5 MET A 210
PHE A 203
ILE A 149
LEU A 112
ALA A 205
 None
None
None
NAD  A 400 (-4.0A)
None
 1.36A 3pcqB-2pv7A:
undetectable		 3pcqB-2pv7A:
16.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vos FOLYLPOLYGLUTAMATE
SYNTHASE PROTEIN
FOLC

(Mycobacterium
tuberculosis) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 PHE A 154
SER A 152
ILE A 129
ALA A 159
ALA A 185
 None
 1.44A 3pcqB-2vosA:
undetectable		 3pcqB-2vosA:
21.88
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.
2wsb GALACTITOL
DEHYDROGENASE

(Rhodobacter
sphaeroides) 		PF13561
(adh_short_C2) 		5 SER A  87
ARG A  37
ALA A  60
LEU A  38
ALA A  36
 None
 1.48A 3pcqB-2wsbA:
undetectable		 3pcqB-2wsbA:
15.68
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.
2x7i MEVALONATE KINASE

(Staphylococcus
aureus) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 PHE A 231
ILE A 287
ALA A 260
LEU A 277
ALA A 228
 None
 1.34A 3pcqB-2x7iA:
undetectable		 3pcqB-2x7iA:
18.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yik ENDOGLUCANASE

(Ruminiclostridium
thermocellum) 		PF00759
(Glyco_hydro_9) 		5 TRP A 136
ILE A 315
ALA A 398
LEU A 401
ALA A 508
 None
 1.09A 3pcqB-2yikA:
undetectable		 3pcqB-2yikA:
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.
2zym SOLUTE-BINDING
PROTEIN

(Thermoactinomyces
vulgaris) 		PF13416
(SBP_bac_8) 		5 PHE A 179
ILE A 134
ALA A 132
LEU A 267
ALA A 275
 None
 1.46A 3pcqB-2zymA:
undetectable		 3pcqB-2zymA:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aat ASPARTATE
AMINOTRANSFERASE

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		5 PHE A  88
SER A  92
ALA A 237
LEU A 240
ALA A 244
 None
 1.41A 3pcqB-3aatA:
undetectable		 3pcqB-3aatA:
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.
3axy 14-3-3-LIKE PROTEIN
GF14-C

(Oryza sativa) 		PF00244
(14-3-3) 		5 PHE C 178
ILE C 159
ALA C 160
LEU C 174
ALA C 175
 None
 1.30A 3pcqB-3axyC:
2.4		 3pcqB-3axyC:
15.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cql ENDOCHITINASE

(Carica papaya) 		PF00182
(Glyco_hydro_19) 		5 PHE A  34
ILE A 117
ALA A 154
LEU A 155
ALA A  37
 None
NAG  A 245 (-4.3A)
None
None
None
 1.10A 3pcqB-3cqlA:
undetectable		 3pcqB-3cqlA:
16.50
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.
3d6k PUTATIVE
AMINOTRANSFERASE

(Corynebacterium
diphtheriae) 		PF12897
(Aminotran_MocR) 		5 PHE A 249
TRP A  82
ALA A  83
LEU A  88
ALA A 267
 None
 1.25A 3pcqB-3d6kA:
undetectable		 3pcqB-3d6kA:
19.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e3x BIPA

(Vibrio
parahaemolyticus) 		PF00679
(EFG_C) 		5 MET A  33
PHE A  35
SER A 107
ILE A 309
LEU A 104
 None
None
MLY  A 314 ( 4.8A)
None
None
 1.12A 3pcqB-3e3xA:
undetectable		 3pcqB-3e3xA:
18.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e8x PUTATIVE
NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E

(Bacillus
halodurans) 		PF13460
(NAD_binding_10) 		5 SER A 109
ILE A  94
ALA A  90
LEU A  87
ALA A 129
 None
 1.33A 3pcqB-3e8xA:
undetectable		 3pcqB-3e8xA:
16.12
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.
3i3w PHOSPHOGLUCOSAMINE
MUTASE

(Francisella
tularensis) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 PHE A 188
SER A 204
ILE A 223
LEU A 238
ALA A 184
 None
 1.48A 3pcqB-3i3wA:
undetectable		 3pcqB-3i3wA:
20.25
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.
3iwr CHITINASE

(Oryza sativa) 		PF00182
(Glyco_hydro_19) 		5 PHE A 121
ILE A 204
ALA A 241
LEU A 242
ALA A 124
 None
MES  A   1 (-4.6A)
None
None
None
 1.10A 3pcqB-3iwrA:
undetectable		 3pcqB-3iwrA:
17.12
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.
3lop SUBSTRATE BINDING
PERIPLASMIC PROTEIN

(Ralstonia
solanacearum) 		PF13458
(Peripla_BP_6) 		5 MET A 142
SER A 141
ILE A  88
ALA A 118
LEU A 119
 None
 1.45A 3pcqB-3lopA:
undetectable		 3pcqB-3lopA:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sdq ALPHA-BISABOLENE
SYNTHASE

(Abies grandis) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 TRP A 453
PHE A 405
ALA A 400
LEU A 403
ALA A 404
 None
 1.24A 3pcqB-3sdqA:
undetectable		 3pcqB-3sdqA:
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.
3sds ORNITHINE
CARBAMOYLTRANSFERASE
, MITOCHONDRIAL

(Coccidioides
immitis) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 PHE A 159
ILE A 229
ALA A 201
LEU A 200
ALA A 155
 None
 1.49A 3pcqB-3sdsA:
undetectable		 3pcqB-3sdsA:
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.
3sky COPPER-EXPORTING
P-TYPE ATPASE B

(Archaeoglobus
fulgidus) 		PF00702
(Hydrolase) 		5 PHE A 442
ILE A 499
ALA A 418
LEU A 415
ALA A 437
 None
 1.45A 3pcqB-3skyA:
undetectable		 3pcqB-3skyA:
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.
3tad LIPRIN-BETA-1

(Mus musculus) 		PF00536
(SAM_1)
PF07647
(SAM_2) 		5 PHE C 829
ARG C 822
ALA C 809
LEU C 825
ALA C 826
 None
 1.47A 3pcqB-3tadC:
undetectable		 3pcqB-3tadC:
16.51
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.
3txy ISOCHORISMATASE
FAMILY PROTEIN
FAMILY

(Burkholderia
thailandensis) 		PF00857
(Isochorismatase) 		5 PHE A  45
ILE A   3
ALA A 187
LEU A 189
ALA A  44
 None
 1.17A 3pcqB-3txyA:
undetectable		 3pcqB-3txyA:
13.99
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.
3vi3 INTEGRIN ALPHA-5

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 SER A 590
ILE A 499
ALA A 490
LEU A 488
ALA A 456
 None
 1.43A 3pcqB-3vi3A:
undetectable		 3pcqB-3vi3A:
23.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w3e COTYLEDONEOUS
YIELDIN-LIKE PROTEIN

(Vigna
unguiculata) 		PF00182
(Glyco_hydro_19) 		5 PHE A  35
ILE A 116
ALA A 153
LEU A 154
ALA A  38
 None
 1.06A 3pcqB-3w3eA:
undetectable		 3pcqB-3w3eA:
15.27
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.
4a2q RETINOIC ACID
INDUCIBLE PROTEIN I

(Anas
platyrhynchos) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF16739
(CARD_2) 		5 MET A 481
SER A 478
ILE A 555
ALA A 564
LEU A 568
 None
 1.47A 3pcqB-4a2qA:
undetectable		 3pcqB-4a2qA:
20.52
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.
4a2w RETINOIC ACID
INDUCIBLE PROTEIN I

(Anas
platyrhynchos) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF16739
(CARD_2) 		5 MET A 481
SER A 478
ILE A 555
ALA A 564
LEU A 568
 None
 1.48A 3pcqB-4a2wA:
undetectable		 3pcqB-4a2wA:
21.08
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.
4bg0 COMPLEMENT
REGULATOR-ACQUIRING
SURFACE PROTEIN 2
(CRASP-2 (CRASP-2)

(Borreliella
burgdorferi) 		no annotation 5 PHE A 145
ILE A 184
ALA A 204
LEU A 207
ALA A 148
 None
 1.48A 3pcqB-4bg0A:
undetectable		 3pcqB-4bg0A:
13.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dz6 NUCLEOSIDE
DIPHOSPHATE KINASE

(Borreliella
burgdorferi) 		PF00334
(NDK) 		5 SER A  89
ARG A  94
ILE A 133
ALA A 135
ALA A 142
 None
ADP  A1001 ( 2.9A)
None
VN4  A1002 (-4.6A)
None
 1.26A 3pcqB-4dz6A:
undetectable		 3pcqB-4dz6A:
12.45
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.
4dz6 NUCLEOSIDE
DIPHOSPHATE KINASE

(Borreliella
burgdorferi) 		PF00334
(NDK) 		5 SER A  89
ILE A 133
ALA A 135
LEU A   9
ALA A 142
 None
None
VN4  A1002 (-4.6A)
None
None
 1.38A 3pcqB-4dz6A:
undetectable		 3pcqB-4dz6A:
12.45
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.
4ehi BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH

(Campylobacter
jejuni) 		PF01808
(AICARFT_IMPCHas)
PF02142
(MGS) 		5 PHE A 334
ILE A 322
ALA A 323
LEU A 305
ALA A 330
 None
 1.40A 3pcqB-4ehiA:
undetectable		 3pcqB-4ehiA:
21.16
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.
4h2k SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE

(Haemophilus
influenzae) 		PF01546
(Peptidase_M20) 		5 PHE A  38
ILE A  62
ALA A  63
LEU A 128
ALA A  53
 None
 1.21A 3pcqB-4h2kA:
undetectable		 3pcqB-4h2kA:
17.41
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.
4hyy MEIOTIC
RECOMBINATION
PROTEIN DMC1/LIM15
HOMOLOG

(Homo sapiens) 		PF08423
(Rad51) 		5 MET A 270
PHE A 125
ILE A 312
ALA A 313
ALA A 124
 None
 1.34A 3pcqB-4hyyA:
undetectable		 3pcqB-4hyyA:
15.80
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.
4k17 LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 16A

(Mus musculus) 		PF13516
(LRR_6) 		5 MET A 627
ILE A 615
ALA A 592
LEU A 595
ALA A 598
 None
 1.44A 3pcqB-4k17A:
undetectable		 3pcqB-4k17A:
20.92
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.
4l5f HEAVY CHAIN OF E106
ANTIBODY (VH AND CH1
OF IGG2C)

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 TRP H 103
TRP H  98
ILE H  34
LEU H 100
ALA H  99
 None
 1.47A 3pcqB-4l5fH:
undetectable		 3pcqB-4l5fH:
15.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4of0 PROTEIN SYG-1,
ISOFORM B

(Caenorhabditis
elegans) 		PF07679
(I-set)
PF08205
(C2-set_2) 		5 SER A 229
TRP A 165
ILE A 245
ALA A 166
LEU A 180
 None
 1.46A 3pcqB-4of0A:
undetectable		 3pcqB-4of0A:
15.44
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.
4of0 PROTEIN SYG-1,
ISOFORM B

(Caenorhabditis
elegans) 		PF07679
(I-set)
PF08205
(C2-set_2) 		5 TRP A 165
ILE A 245
ALA A 166
LEU A 180
ALA A 203
 None
 1.48A 3pcqB-4of0A:
undetectable		 3pcqB-4of0A:
15.44
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.
4q88 UNCHARACTERIZED
PROTEIN

(Bacteroides
vulgatus) 		PF07470
(Glyco_hydro_88) 		5 TRP A 153
PHE A 233
ILE A 192
LEU A 159
ALA A 229
 None
 1.34A 3pcqB-4q88A:
undetectable		 3pcqB-4q88A:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qfk ABC TRANSPORTER
PERIPLASMIC
PEPTIDE-BINDING
PROTEIN

(Pseudoalteromonas
sp. SM9913) 		no annotation 5 SER H 428
TRP H 377
TRP H 295
ILE H 503
ALA H 378
 None
 1.40A 3pcqB-4qfkH:
undetectable		 3pcqB-4qfkH:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophilus) 		PF07944
(Glyco_hydro_127) 		5 TRP A  76
ILE A  40
ALA A  35
LEU A  36
ALA A  48
 None
None
ACT  A 704 ( 3.7A)
None
None
 1.46A 3pcqB-4qjyA:
undetectable		 3pcqB-4qjyA:
22.60
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.
4r89 UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		PF08774
(VRR_NUC) 		5 PHE A 263
SER A 285
ILE A 295
ALA A 294
ALA A 266
 None
 1.15A 3pcqB-4r89A:
undetectable		 3pcqB-4r89A:
22.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Pisum sativum) 		PF00223
(PsaA_PsaB) 		9 TRP A  55
MET A 691
PHE A 692
SER A 695
ARG A 697
TRP A 700
ILE A 704
ALA A 724
LEU A 725
 CLA  A1139 (-4.1A)
CLA  A9013 ( 3.6A)
PQN  A5001 (-3.6A)
PQN  A5001 (-3.5A)
None
PQN  A5001 ( 3.4A)
CLA  A1139 ( 4.5A)
PQN  A5001 (-3.4A)
PQN  A5001 ( 3.7A)
 0.59A 3pcqB-4rkuA:
33.5		 3pcqB-4rkuA:
45.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Pisum sativum) 		PF00223
(PsaA_PsaB) 		11 TRP B  22
MET B 662
PHE B 663
SER B 666
TRP B 667
ARG B 668
TRP B 671
ILE B 675
ALA B 699
LEU B 700
ALA B 705
 CLA  B1238 ( 4.0A)
CLA  B9023 ( 3.3A)
PQN  B5002 ( 4.3A)
PQN  B5002 (-3.2A)
None
None
PQN  B5002 ( 3.3A)
CLA  B1238 (-3.9A)
PQN  B5002 (-3.2A)
PQN  B5002 (-3.7A)
PQN  B5002 (-3.4A)
 0.26A 3pcqB-4rkuB:
43.6		 3pcqB-4rkuB:
78.08
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.
4rul DNA TOPOISOMERASE 1

(Escherichia
coli) 		PF01131
(Topoisom_bac)
PF01396
(zf-C4_Topoisom)
PF01751
(Toprim)
PF08272
(Topo_Zn_Ribbon) 		5 MET A 546
SER A 549
ALA A 562
LEU A 564
ALA A 167
 None
 1.40A 3pcqB-4rulA:
undetectable		 3pcqB-4rulA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wct FRUCTOSYL
AMINE:OXYGEN
OXIDOREDUCTASE

(Aspergillus
fumigatus) 		PF01266
(DAO) 		5 ARG A  31
ILE A 384
ALA A 385
LEU A  28
ALA A  29
 None
 1.44A 3pcqB-4wctA:
undetectable		 3pcqB-4wctA:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zh7 OUTER MEMBRANE
PROTEIN-ADHESIN

(Helicobacter
pylori) 		no annotation 5 TRP A  97
ILE A 311
ALA A  93
LEU A 269
ALA A 159
 None
 1.10A 3pcqB-4zh7A:
undetectable		 3pcqB-4zh7A:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bwi GLYCOSIDE HYDROLASE
FAMILY 79

(Burkholderia
pseudomallei) 		PF12891
(Glyco_hydro_44) 		5 ARG A  95
ILE A  88
ALA A  92
LEU A  96
ALA A  97
 None
 1.30A 3pcqB-5bwiA:
undetectable		 3pcqB-5bwiA:
22.63
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.
5by7 3-OXOACYL-ACP
SYNTHASE III

(Verrucosispora
maris) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 PHE A 317
ARG A 179
ALA A 177
LEU A 319
ALA A 318
 None
 1.11A 3pcqB-5by7A:
undetectable		 3pcqB-5by7A:
19.92
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.
5f9a ADHESIN BINDING
FUCOSYLATED
HISTO-BLOOD GROUP
ANTIGEN,ADHESIN,ADHE
SIN BINDING
FUCOSYLATED
HISTO-BLOOD GROUP
ANTIGEN

(Helicobacter
pylori) 		no annotation 5 TRP A  97
ILE A 305
ALA A  93
LEU A 266
ALA A 159
 None
 1.13A 3pcqB-5f9aA:
2.2		 3pcqB-5f9aA:
19.05
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.
5fo1 RIBOFLAVIN
BIOSYNTHESIS PROTEIN
RIBF

(Corynebacterium
ammoniagenes) 		PF01687
(Flavokinase)
PF06574
(FAD_syn) 		5 PHE A  84
ARG A  77
ILE A  71
LEU A  80
ALA A  81
 None
 1.28A 3pcqB-5fo1A:
undetectable		 3pcqB-5fo1A:
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.
5gwn PROTEIN RCC2

(Homo sapiens) 		PF00415
(RCC1) 		5 MET A 267
SER A 277
ARG A 311
ILE A 314
ALA A 313
 None
 1.49A 3pcqB-5gwnA:
undetectable		 3pcqB-5gwnA:
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.
5h4v GLUTAMATE--TRNA
LIGASE

(Xanthomonas
oryzae) 		no annotation 5 MET A 170
PHE A 142
ALA A  86
LEU A  89
ALA A  95
 None
 1.19A 3pcqB-5h4vA:
undetectable		 3pcqB-5h4vA:
22.16
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.
5hk2 SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1

(Homo sapiens) 		PF04622
(ERG2_Sigma1R) 		5 PHE A  58
SER A 130
ALA A  46
LEU A  61
ALA A  57
 None
SO4  A 304 (-4.1A)
None
None
None
 1.47A 3pcqB-5hk2A:
undetectable		 3pcqB-5hk2A:
15.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i5p TRAP TRANSPORTER
SOLUTE BINDING
PROTEIN

(uncultured
marine
bacterium) 		PF03480
(DctP) 		5 PHE A 143
ILE A 259
ALA A 263
LEU A 267
ALA A 268
 None
None
None
PEG  A 402 ( 4.8A)
None
 1.00A 3pcqB-5i5pA:
undetectable		 3pcqB-5i5pA:
17.34
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.
5ilq ASPARTATE
CARBAMOYLTRANSFERASE

(Plasmodium
falciparum) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 PHE A 114
ILE A  74
ALA A 365
LEU A 367
ALA A 117
 None
 1.30A 3pcqB-5ilqA:
undetectable		 3pcqB-5ilqA:
16.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jbk BETA-GLUCOSIDASE

(Trichoderma
harzianum) 		PF00232
(Glyco_hydro_1) 		5 MET A 420
SER A 418
ILE A 112
ALA A  70
LEU A  68
 None
 1.14A 3pcqB-5jbkA:
undetectable		 3pcqB-5jbkA:
21.68
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.
5kkg ANCMT E72A

(synthetic
construct) 		PF04587
(ADP_PFK_GK) 		5 PHE A 129
ILE A 137
ALA A 151
LEU A 121
ALA A 126
 None
 1.32A 3pcqB-5kkgA:
undetectable		 3pcqB-5kkgA:
20.43
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.
5l20 CLOSTRIPAIN-RELATED
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF03415
(Peptidase_C11) 		5 MET B 209
PHE B 204
SER B 211
ALA B 217
LEU B 218
 None
 1.35A 3pcqB-5l20B:
undetectable		 3pcqB-5l20B:
13.33
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.
5lki TCDA1

(Photorhabdus
luminescens) 		PF03538
(VRP1) 		5 TRP A1598
SER A1095
ARG A1301
ALA A1583
LEU A1584
 None
 1.47A 3pcqB-5lkiA:
undetectable		 3pcqB-5lkiA:
15.12
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.
5n2b PUTATIVE FIMBRIAL
SUBUNIT TYPE 1

(Burkholderia
pseudomallei) 		no annotation 5 PHE A  35
ILE A 154
ALA A 118
LEU A 107
ALA A 167
 None
 1.24A 3pcqB-5n2bA:
undetectable		 3pcqB-5n2bA:
8.26
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.
5nz7 CELLODEXTRIN
PHOSPHORYLASE

(Ruminiclostridium
thermocellum) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		5 MET A 770
PHE A 714
ILE A 705
ALA A 709
ALA A 733
 None
 1.21A 3pcqB-5nz7A:
undetectable		 3pcqB-5nz7A:
22.17
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.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Synechocystis
sp. PCC 6803) 		no annotation 9 TRP 1  49
MET 1 684
PHE 1 685
SER 1 688
ARG 1 690
TRP 1 693
ILE 1 697
ALA 1 717
LEU 1 718
 CLA  1 840 (-4.7A)
CLA  1 802 ( 3.2A)
PQN  1 842 (-3.8A)
PQN  1 842 (-3.4A)
None
PQN  1 842 ( 3.3A)
None
PQN  1 842 (-3.2A)
PQN  1 842 ( 3.6A)
 0.44A 3pcqB-5oy01:
33.9		 3pcqB-5oy01:
7.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Synechocystis
sp. PCC 6803) 		no annotation 11 TRP b  22
MET b 659
PHE b 660
SER b 663
TRP b 664
ARG b 665
TRP b 668
ILE b 672
ALA b 696
LEU b 697
ALA b 702
 CLA  b1841 ( 4.0A)
CLA  b1807 ( 3.2A)
PQN  b1844 ( 4.2A)
PQN  b1844 (-3.7A)
None
None
PQN  b1844 ( 3.4A)
CLA  b1841 (-4.6A)
PQN  b1844 (-3.2A)
PQN  b1844 ( 3.8A)
PQN  b1844 (-3.1A)
 0.36A 3pcqB-5oy0b:
44.5		 3pcqB-5oy0b:
10.69
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.
5vbl APELIN
RECEPTOR,RUBREDOXIN,
APELIN RECEPTOR
CHIMERA

(Clostridium
pasteurianum;
Homo sapiens) 		PF00001
(7tm_1)
PF00301
(Rubredoxin) 		5 PHE B  78
SER B 105
TRP B  85
ALA B  86
LEU B  82
 None
 1.42A 3pcqB-5vblB:
2.2		 3pcqB-5vblB:
18.40
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.
6az1 RIBOSOMAL PROTEIN S7

(Leishmania
donovani) 		no annotation 5 SER H 173
ILE H  86
ALA H 160
LEU H 159
ALA H 144
 None
 0.94A 3pcqB-6az1H:
undetectable		 3pcqB-6az1H:
7.04
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.
6c0w HISTONE H3-LIKE
CENTROMERIC PROTEIN
A
HISTONE H4

(Homo sapiens) 		no annotation 5 PHE A 106
ARG B  36
ALA B  33
LEU B  37
ALA B  38
 PHE  A 106 ( 1.3A)
ARG  B  36 ( 0.6A)
ALA  B  33 ( 0.0A)
LEU  B  37 ( 0.6A)
ALA  B  38 ( 0.0A)
 1.32A 3pcqB-6c0wA:
2.3		 3pcqB-6c0wA:
5.81
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.
6cfw MONOVALENT CATION/H+
ANTIPORTER SUBUNIT C
MONOVALENT CATION/H+
ANTIPORTER SUBUNIT D

(Pyrococcus
furiosus) 		no annotation 5 MET H 170
PHE H 171
SER H 174
ALA G  32
LEU G  29
 None
 1.45A 3pcqB-6cfwH:
undetectable		 3pcqB-6cfwH:
7.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Cyanidioschyzon
merolae) 		no annotation 8 TRP A  46
MET A 681
PHE A 682
ARG A 687
TRP A 690
ILE A 694
ALA A 714
LEU A 715
 None
PQN  A2001 ( 3.3A)
PQN  A2001 (-4.3A)
None
PQN  A2001 ( 3.2A)
None
PQN  A2001 (-3.2A)
PQN  A2001 (-3.7A)
 0.70A 3pcqB-6fosA:
31.4		 3pcqB-6fosA:
12.05
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.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Cyanidioschyzon
merolae) 		no annotation 8 TRP A  46
PHE A 682
SER A 685
ARG A 687
TRP A 690
ILE A 694
ALA A 714
LEU A 715
 None
PQN  A2001 (-4.3A)
PQN  A2001 (-4.4A)
None
PQN  A2001 ( 3.2A)
None
PQN  A2001 (-3.2A)
PQN  A2001 (-3.7A)
 0.77A 3pcqB-6fosA:
31.4		 3pcqB-6fosA:
12.05
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.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Cyanidioschyzon
merolae) 		no annotation 9 TRP B  22
MET B 660
PHE B 661
SER B 664
ARG B 666
TRP B 669
ILE B 673
ALA B 697
LEU B 698
 None
PQN  B2002 ( 3.2A)
PQN  B2002 ( 4.3A)
CLA  B1023 (-4.5A)
None
PQN  B2002 (-3.3A)
None
PQN  B2002 (-3.1A)
PQN  B2002 (-3.6A)
 0.76A 3pcqB-6fosB:
32.3		 3pcqB-6fosB:
10.77
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.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Cyanidioschyzon
merolae) 		no annotation 9 TRP B  22
MET B 660
PHE B 661
SER B 664
TRP B 669
ILE B 673
ALA B 697
LEU B 698
ALA B 703
 None
PQN  B2002 ( 3.2A)
PQN  B2002 ( 4.3A)
CLA  B1023 (-4.5A)
PQN  B2002 (-3.3A)
None
PQN  B2002 (-3.1A)
PQN  B2002 (-3.6A)
PQN  B2002 (-3.4A)
 0.64A 3pcqB-6fosB:
32.3		 3pcqB-6fosB:
10.77
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.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Cyanidioschyzon
merolae) 		no annotation 8 TRP B  22
PHE B 661
TRP B 665
ARG B 666
TRP B 669
ILE B 673
ALA B 697
LEU B 698
 None
PQN  B2002 ( 4.3A)
None
None
PQN  B2002 (-3.3A)
None
PQN  B2002 (-3.1A)
PQN  B2002 (-3.6A)
 1.07A 3pcqB-6fosB:
32.3		 3pcqB-6fosB:
10.77
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.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Cyanidioschyzon
merolae) 		no annotation 8 TRP B  22
PHE B 661
TRP B 665
TRP B 669
ILE B 673
ALA B 697
LEU B 698
ALA B 703
 None
PQN  B2002 ( 4.3A)
None
PQN  B2002 (-3.3A)
None
PQN  B2002 (-3.1A)
PQN  B2002 (-3.6A)
PQN  B2002 (-3.4A)
 0.96A 3pcqB-6fosB:
32.3		 3pcqB-6fosB:
10.77