SIMILAR PATTERNS OF AMINO ACIDS FOR 5XDQ_J_CHDJ101

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.
1dlc DELTA-ENDOTOXIN
CRYIIIA

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		4 TYR A 268
ARG A 269
MET A 272
THR A 273
 None
 0.92A 5xdqA-1dlcA:
1.9
5xdqJ-1dlcA:
0.0		 5xdqA-1dlcA:
20.97
5xdqJ-1dlcA:
7.37
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 LEU A  58
ARG A   6
THR A   8
LEU A   9
 None
 1.00A 5xdqA-1g8kA:
0.0
5xdqJ-1g8kA:
0.0		 5xdqA-1g8kA:
20.91
5xdqJ-1g8kA:
7.19
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.
1iyr DNA FRAGMENTATION
FACTOR ALPHA SUBUNIT

(Homo sapiens) 		PF09033
(DFF-C) 		4 ILE A  21
LEU A  22
ARG A   9
THR A   5
 None
 0.96A 5xdqA-1iyrA:
undetectable
5xdqJ-1iyrA:
0.0		 5xdqA-1iyrA:
10.96
5xdqJ-1iyrA:
24.04
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.
1jed SULFATE
ADENYLYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		4 ILE A  48
LEU A  49
THR A  38
LEU A  37
 None
 0.75A 5xdqA-1jedA:
0.1
5xdqJ-1jedA:
0.0		 5xdqA-1jedA:
21.17
5xdqJ-1jedA:
8.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jfi TRANSCRIPTION
REGULATOR NC2 ALPHA
CHAIN
TRANSCRIPTION
REGULATOR NC2 BETA
CHAIN

(Homo sapiens;
Homo sapiens) 		PF00808
(CBFD_NFYB_HMF)
PF00808
(CBFD_NFYB_HMF) 		4 ILE B 122
LEU B 126
THR A  67
LEU A  70
 None
 0.92A 5xdqA-1jfiB:
undetectable
5xdqJ-1jfiB:
1.7		 5xdqA-1jfiB:
14.49
5xdqJ-1jfiB:
12.85
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.
1khc DNA CYTOSINE-5
METHYLTRANSFERASE
3B2

(Mus musculus) 		PF00855
(PWWP) 		4 TYR A 305
ARG A 306
MET A 309
LEU A 313
 None
 0.87A 5xdqA-1khcA:
undetectable
5xdqJ-1khcA:
0.0		 5xdqA-1khcA:
13.81
5xdqJ-1khcA:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lc7 L-THREONINE-O-3-PHOS
PHATE DECARBOXYLASE

(Salmonella
enterica) 		PF00155
(Aminotran_1_2) 		4 LEU A 182
ARG A 100
THR A 144
LEU A 143
 None
 0.89A 5xdqA-1lc7A:
0.0
5xdqJ-1lc7A:
0.0		 5xdqA-1lc7A:
21.47
5xdqJ-1lc7A:
9.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ozn RETICULON 4 RECEPTOR

(Homo sapiens) 		PF13855
(LRR_8) 		4 LEU A 112
ARG A  61
THR A  84
LEU A 107
 None
 0.86A 5xdqA-1oznA:
undetectable
5xdqJ-1oznA:
0.0		 5xdqA-1oznA:
19.64
5xdqJ-1oznA:
11.68
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.
1pm2 RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE 1
BETA CHAIN

(Escherichia
coli) 		PF00268
(Ribonuc_red_sm) 		5 ILE A 335
LEU A 339
TYR A 310
ARG A 328
THR A 312
 None
None
None
HG  A 614 ( 4.9A)
None
 1.31A 5xdqA-1pm2A:
0.8
5xdqJ-1pm2A:
undetectable		 5xdqA-1pm2A:
19.19
5xdqJ-1pm2A:
11.21
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.
1r6x ATP:SULFATE
ADENYLYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		4 ILE A  48
LEU A  49
THR A  38
LEU A  37
 None
 0.73A 5xdqA-1r6xA:
0.0
5xdqJ-1r6xA:
undetectable		 5xdqA-1r6xA:
21.48
5xdqJ-1r6xA:
11.44
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.
1rc9 CYSTEINE-RICH
SECRETORY PROTEIN

(Trimeresurus
stejnegeri) 		PF00188
(CAP)
PF08562
(Crisp) 		4 ILE A  90
LEU A  21
TYR A 147
THR A 117
 None
 0.98A 5xdqA-1rc9A:
undetectable
5xdqJ-1rc9A:
undetectable		 5xdqA-1rc9A:
17.70
5xdqJ-1rc9A:
11.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wvr TRIFLIN

(Protobothrops
flavoviridis) 		PF00188
(CAP)
PF08562
(Crisp) 		4 ILE A  90
LEU A  21
TYR A 147
THR A 117
 None
 0.97A 5xdqA-1wvrA:
undetectable
5xdqJ-1wvrA:
undetectable		 5xdqA-1wvrA:
15.85
5xdqJ-1wvrA:
14.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2buc DIPEPTIDYL PEPTIDASE
IV

(Sus scrofa) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 ILE A 384
ARG A 433
THR A 411
LEU A 410
 None
 0.86A 5xdqA-2bucA:
0.0
5xdqJ-2bucA:
undetectable		 5xdqA-2bucA:
19.97
5xdqJ-2bucA:
7.59
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.
2bx7 DIHYDROOROTATE
DEHYDROGENASE

(Lactococcus
lactis) 		PF01180
(DHO_dh) 		4 LEU A 128
TYR A 168
MET A 177
LEU A 181
 None
 0.97A 5xdqA-2bx7A:
0.0
5xdqJ-2bx7A:
undetectable		 5xdqA-2bx7A:
19.78
5xdqJ-2bx7A:
10.93
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.
2cqz 177AA LONG
HYPOTHETICAL PROTEIN

(Pyrococcus
horikoshii) 		PF13023
(HD_3) 		4 ILE A 153
LEU A 166
THR A  41
LEU A  44
 None
 0.97A 5xdqA-2cqzA:
0.3
5xdqJ-2cqzA:
undetectable		 5xdqA-2cqzA:
14.56
5xdqJ-2cqzA:
14.12
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.
2dao TRANSCRIPTION FACTOR
ETV6

(Homo sapiens) 		PF00178
(Ets) 		4 ILE A  40
LEU A  46
ARG A  69
LEU A  11
 None
 0.85A 5xdqA-2daoA:
undetectable
5xdqJ-2daoA:
undetectable		 5xdqA-2daoA:
11.27
5xdqJ-2daoA:
18.64
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.
2dpn GLYCEROL KINASE

(Thermus
thermophilus) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 LEU A 313
ARG A 357
THR A 359
LEU A 360
 None
 0.96A 5xdqA-2dpnA:
undetectable
5xdqJ-2dpnA:
undetectable		 5xdqA-2dpnA:
22.49
5xdqJ-2dpnA:
7.91
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.
2fa8 HYPOTHETICAL PROTEIN
ATU0228

(Agrobacterium
fabrum) 		PF10262
(Rdx) 		4 ILE A  29
LEU A  30
ARG A  21
LEU A  42
 None
 0.98A 5xdqA-2fa8A:
undetectable
5xdqJ-2fa8A:
undetectable		 5xdqA-2fa8A:
10.47
5xdqJ-2fa8A:
16.81
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.
2hsi PUTATIVE PEPTIDASE
M23

(Pseudomonas
aeruginosa) 		PF01551
(Peptidase_M23) 		4 ILE A  27
LEU A  31
ARG A  64
LEU A  61
 None
 0.97A 5xdqA-2hsiA:
undetectable
5xdqJ-2hsiA:
undetectable		 5xdqA-2hsiA:
19.60
5xdqJ-2hsiA:
12.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iy8 PROTEIN PM0188

(Pasteurella
multocida) 		PF11477
(PM0188) 		4 ILE A 117
LEU A 121
ARG A 186
LEU A 168
 None
 0.89A 5xdqA-2iy8A:
undetectable
5xdqJ-2iy8A:
undetectable		 5xdqA-2iy8A:
22.50
5xdqJ-2iy8A:
9.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j3z C2 TOXIN COMPONENT I

(Clostridium
botulinum) 		PF03496
(ADPrib_exo_Tox) 		4 LEU A  89
ARG A  28
THR A  31
LEU A  33
 None
 1.00A 5xdqA-2j3zA:
undetectable
5xdqJ-2j3zA:
undetectable		 5xdqA-2j3zA:
19.36
5xdqJ-2j3zA:
12.62
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.
2ozg GCN5-RELATED
N-ACETYLTRANSFERASE

(Trichormus
variabilis) 		PF13527
(Acetyltransf_9)
PF13530
(SCP2_2) 		4 ILE A  25
LEU A  22
ARG A  54
LEU A  99
 None
 0.88A 5xdqA-2ozgA:
undetectable
5xdqJ-2ozgA:
undetectable		 5xdqA-2ozgA:
21.72
5xdqJ-2ozgA:
9.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p0d RHO
GTPASE-ACTIVATING
PROTEIN 9

(Homo sapiens) 		PF00169
(PH) 		4 ILE A 405
LEU A 390
THR A 353
LEU A 352
 None
 0.72A 5xdqA-2p0dA:
undetectable
5xdqJ-2p0dA:
undetectable		 5xdqA-2p0dA:
12.67
5xdqJ-2p0dA:
17.65
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.
2p3g MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		4 ILE X 252
MET X 356
THR X 357
LEU X 360
 None
 0.94A 5xdqA-2p3gX:
undetectable
5xdqJ-2p3gX:
undetectable		 5xdqA-2p3gX:
19.81
5xdqJ-2p3gX:
13.79
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.
2rdl CHYMASE 2

(Mesocricetus
auratus) 		PF00089
(Trypsin) 		4 ILE A 231
ARG A  48
THR A 120
LEU A 121
 None
 0.90A 5xdqA-2rdlA:
undetectable
5xdqJ-2rdlA:
undetectable		 5xdqA-2rdlA:
17.87
5xdqJ-2rdlA:
13.57
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.
2vh1 CELL DIVISION
PROTEIN FTSQ

(Escherichia
coli) 		PF03799
(FtsQ)
PF08478
(POTRA_1) 		4 ILE A  99
LEU A 103
THR A  63
LEU A  62
 None
 1.00A 5xdqA-2vh1A:
undetectable
5xdqJ-2vh1A:
undetectable		 5xdqA-2vh1A:
17.64
5xdqJ-2vh1A:
13.64
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.
2wok CLAVULANIC ACID
BIOSYNTHESIS
OLIGOPEPTIDE BINDING
PROTEIN 2

(Streptomyces
clavuligerus) 		PF00496
(SBP_bac_5) 		4 LEU A 186
TYR A 101
THR A  98
LEU A 176
 None
 0.97A 5xdqA-2wokA:
3.2
5xdqJ-2wokA:
undetectable		 5xdqA-2wokA:
21.99
5xdqJ-2wokA:
7.55
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.
2wxz ANGIOTENSINOGEN

(Rattus
norvegicus) 		PF00079
(Serpin) 		4 LEU A 309
ARG A 345
THR A 423
LEU A 424
 None
 0.92A 5xdqA-2wxzA:
undetectable
5xdqJ-2wxzA:
undetectable		 5xdqA-2wxzA:
22.32
5xdqJ-2wxzA:
7.64
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.
2wy0 ANGIOTENSINOGEN

(Mus musculus) 		PF00079
(Serpin) 		4 LEU C 309
ARG C 345
THR C 423
LEU C 424
 None
 0.87A 5xdqA-2wy0C:
undetectable
5xdqJ-2wy0C:
undetectable		 5xdqA-2wy0C:
21.21
5xdqJ-2wy0C:
8.76
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.
2z81 TOLL-LIKE RECEPTOR
2, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Mus musculus) 		PF11921
(DUF3439)
PF13306
(LRR_5)
PF13516
(LRR_6)
PF13855
(LRR_8) 		4 ILE A 420
MET A 438
THR A 416
LEU A 415
 None
 0.95A 5xdqA-2z81A:
undetectable
5xdqJ-2z81A:
undetectable		 5xdqA-2z81A:
19.70
5xdqJ-2z81A:
8.19
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.
2ziu MUS81 PROTEIN

(Danio rerio) 		PF02732
(ERCC4) 		4 TYR A 471
MET A 475
THR A 476
LEU A 479
 None
 0.62A 5xdqA-2ziuA:
undetectable
5xdqJ-2ziuA:
undetectable		 5xdqA-2ziuA:
18.55
5xdqJ-2ziuA:
10.29
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.
3bz6 UPF0502 PROTEIN
PSPTO_2686

(Pseudomonas
syringae group
genomosp. 3) 		PF04337
(DUF480) 		4 ILE A 172
LEU A  17
ARG A  25
LEU A  76
 None
 0.99A 5xdqA-3bz6A:
undetectable
5xdqJ-3bz6A:
undetectable		 5xdqA-3bz6A:
15.42
5xdqJ-3bz6A:
16.57
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.
3ctz XAA-PRO
AMINOPEPTIDASE 1

(Homo sapiens) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N)
PF16188
(Peptidase_M24_C)
PF16189
(Creatinase_N_2) 		4 ILE A  64
TYR A 128
MET A 132
LEU A 136
 None
 0.45A 5xdqA-3ctzA:
undetectable
5xdqJ-3ctzA:
undetectable		 5xdqA-3ctzA:
21.45
5xdqJ-3ctzA:
7.66
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.
3dm5 SIGNAL RECOGNITION
54 KDA PROTEIN

(Pyrococcus
furiosus) 		PF00448
(SRP54)
PF02881
(SRP54_N)
PF02978
(SRP_SPB) 		4 ILE A 272
LEU A 249
ARG A 288
LEU A  87
 None
 0.91A 5xdqA-3dm5A:
2.2
5xdqJ-3dm5A:
undetectable		 5xdqA-3dm5A:
20.44
5xdqJ-3dm5A:
9.20
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.
3dy5 ALLENE OXIDE
SYNTHASE-LIPOXYGENAS
E PROTEIN

(Plexaura
homomalla) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 ILE A 462
ARG A 397
THR A 395
LEU A 410
 None
 0.80A 5xdqA-3dy5A:
1.3
5xdqJ-3dy5A:
undetectable		 5xdqA-3dy5A:
17.95
5xdqJ-3dy5A:
4.87
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.
3fg4 ALLENE OXIDE
SYNTHASE-LIPOXYGENAS
E PROTEIN

(Plexaura
homomalla) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 ILE A 462
ARG A 397
THR A 395
LEU A 410
 None
 0.93A 5xdqA-3fg4A:
1.9
5xdqJ-3fg4A:
undetectable		 5xdqA-3fg4A:
20.56
5xdqJ-3fg4A:
8.30
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.
3gf6 UNCHARACTERIZED
BACTERIAL
LIPOPROTEIN

(Bacteroides
thetaiotaomicron) 		PF12956
(DUF3845) 		5 LEU A 216
TYR A  68
MET A 105
THR A 104
LEU A 103
 None
 1.47A 5xdqA-3gf6A:
undetectable
5xdqJ-3gf6A:
undetectable		 5xdqA-3gf6A:
19.49
5xdqJ-3gf6A:
16.04
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.
3gzy BIPHENYL DIOXYGENASE
SUBUNIT BETA

(Comamonas
testosteroni) 		PF00866
(Ring_hydroxyl_B) 		4 ILE B 165
LEU B  48
ARG B  31
LEU B  36
 None
 0.93A 5xdqA-3gzyB:
undetectable
5xdqJ-3gzyB:
undetectable		 5xdqA-3gzyB:
15.34
5xdqJ-3gzyB:
18.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hn5 PUTATIVE EXPORTED
PROTEIN BF0290

(Bacteroides
fragilis) 		PF12866
(DUF3823) 		4 ILE A 105
ARG A  36
THR A  34
LEU A  33
 None
 0.93A 5xdqA-3hn5A:
undetectable
5xdqJ-3hn5A:
undetectable		 5xdqA-3hn5A:
17.12
5xdqJ-3hn5A:
14.42
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.
3jzd IRON-CONTAINING
ALCOHOL
DEHYDROGENASE

(Cupriavidus
pinatubonensis) 		PF00465
(Fe-ADH) 		4 ILE A 343
LEU A 346
ARG A 322
LEU A 248
 None
 0.82A 5xdqA-3jzdA:
2.3
5xdqJ-3jzdA:
undetectable		 5xdqA-3jzdA:
22.15
5xdqJ-3jzdA:
14.68
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.
3k7d GLUTAMATE-AMMONIA-LI
GASE
ADENYLYLTRANSFERASE

(Escherichia
coli) 		PF03710
(GlnE)
PF08335
(GlnD_UR_UTase) 		4 ILE A 882
ARG A 808
MET A 811
THR A 812
 None
SO4  A   3 (-4.1A)
None
None
 0.81A 5xdqA-3k7dA:
undetectable
5xdqJ-3k7dA:
undetectable		 5xdqA-3k7dA:
21.52
5xdqJ-3k7dA:
7.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kfu ASPARTYL/GLUTAMYL-TR
NA(ASN/GLN)
AMIDOTRANSFERASE
SUBUNIT B

(Thermus
thermophilus) 		PF02637
(GatB_Yqey)
PF02934
(GatB_N) 		4 ILE F 166
LEU F 163
ARG F 111
LEU F 153
 None
 0.86A 5xdqA-3kfuF:
undetectable
5xdqJ-3kfuF:
undetectable		 5xdqA-3kfuF:
18.69
5xdqJ-3kfuF:
10.22
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.
3mmn HISTIDINE KINASE
HOMOLOG

(Arabidopsis
thaliana) 		PF00072
(Response_reg) 		4 LEU A1103
ARG A 998
THR A1002
LEU A1005
 None
 0.99A 5xdqA-3mmnA:
undetectable
5xdqJ-3mmnA:
undetectable		 5xdqA-3mmnA:
15.61
5xdqJ-3mmnA:
12.50
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.
3muu STRUCTURAL
POLYPROTEIN

(Sindbis virus) 		PF00943
(Alpha_E2_glycop)
PF01589
(Alpha_E1_glycop) 		4 ILE A 283
ARG A 298
THR A 296
LEU A 295
 None
 0.95A 5xdqA-3muuA:
undetectable
5xdqJ-3muuA:
undetectable		 5xdqA-3muuA:
21.45
5xdqJ-3muuA:
6.16
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.
3ng9 CAPSID PROTEIN

(Adeno-associated
dependoparvovirus
A) 		PF00740
(Parvo_coat) 		4 ILE A 373
LEU A 249
ARG A 245
LEU A 316
 None
 0.98A 5xdqA-3ng9A:
undetectable
5xdqJ-3ng9A:
undetectable		 5xdqA-3ng9A:
21.77
5xdqJ-3ng9A:
7.23
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.
3pf2 CELL WALL SURFACE
ANCHOR FAMILY
PROTEIN

(Streptococcus
agalactiae) 		PF16569
(GramPos_pilinBB)
PF16570
(GramPos_pilinD3) 		4 ILE A 236
LEU A 240
THR A 270
LEU A 271
 None
 0.74A 5xdqA-3pf2A:
undetectable
5xdqJ-3pf2A:
undetectable		 5xdqA-3pf2A:
18.65
5xdqJ-3pf2A:
12.09
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.
3pty ARABINOSYLTRANSFERAS
E C

(Mycobacterium
tuberculosis) 		PF14896
(Arabino_trans_C) 		4 ILE A 936
LEU A 933
ARG A 944
LEU A 766
 None
 0.96A 5xdqA-3ptyA:
undetectable
5xdqJ-3ptyA:
undetectable		 5xdqA-3ptyA:
22.01
5xdqJ-3ptyA:
8.37
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.
3q33 HISTONE
ACETYLTRANSFERASE
RTT109

(Saccharomyces
cerevisiae) 		PF08214
(HAT_KAT11) 		4 LEU A 218
ARG A 243
MET A 330
LEU A 191
 ACO  A 501 (-4.6A)
None
None
ACO  A 501 ( 4.0A)
 0.98A 5xdqA-3q33A:
undetectable
5xdqJ-3q33A:
undetectable		 5xdqA-3q33A:
22.18
5xdqJ-3q33A:
8.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rr1 PUTATIVE
D-GALACTONATE
DEHYDRATASE

(Ralstonia
pickettii) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ILE A  93
LEU A  90
THR A   7
LEU A   6
 None
 0.68A 5xdqA-3rr1A:
undetectable
5xdqJ-3rr1A:
undetectable		 5xdqA-3rr1A:
22.10
5xdqJ-3rr1A:
9.28
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.
3sut BETA-HEXOSAMINIDASE

(Paenibacillus
sp. TS12) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b) 		4 ILE A  40
LEU A  60
THR A  35
LEU A  34
 None
 0.89A 5xdqA-3sutA:
undetectable
5xdqJ-3sutA:
undetectable		 5xdqA-3sutA:
23.64
5xdqJ-3sutA:
8.94
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.
3v85 CYTH-LIKE
PHOSPHATASE

(Arabidopsis
thaliana) 		PF01928
(CYTH) 		4 ILE A 191
LEU A 186
THR A  23
LEU A  22
 None
 0.87A 5xdqA-3v85A:
undetectable
5xdqJ-3v85A:
undetectable		 5xdqA-3v85A:
17.05
5xdqJ-3v85A:
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.
3vkg DYNEIN HEAVY CHAIN,
CYTOPLASMIC

(Dictyostelium
discoideum) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		4 ILE A4083
ARG A4424
MET A4426
LEU A4430
 None
SPM  A9016 ( 3.8A)
None
None
 0.97A 5xdqA-3vkgA:
undetectable
5xdqJ-3vkgA:
undetectable		 5xdqA-3vkgA:
9.59
5xdqJ-3vkgA:
1.82
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.
3wzf ASPARTATE
AMINOTRANSFERASE,
CYTOPLASMIC

(Homo sapiens) 		PF00155
(Aminotran_1_2) 		4 ILE A 387
LEU A 381
ARG A 340
THR A 402
 None
 0.91A 5xdqA-3wzfA:
undetectable
5xdqJ-3wzfA:
undetectable		 5xdqA-3wzfA:
20.90
5xdqJ-3wzfA:
9.27
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.
3zo9 TREHALOSE
SYNTHASE/AMYLASE
TRES

(Mycolicibacterium
smegmatis) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		4 ILE A 318
LEU A 506
ARG A 311
LEU A 390
 None
 0.94A 5xdqA-3zo9A:
undetectable
5xdqJ-3zo9A:
undetectable		 5xdqA-3zo9A:
21.46
5xdqJ-3zo9A:
7.25
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.
3zqj UVRABC SYSTEM
PROTEIN A

(Mycobacterium
tuberculosis) 		PF00005
(ABC_tran) 		4 ILE A 515
LEU A 511
THR A 554
LEU A 555
 None
 0.97A 5xdqA-3zqjA:
undetectable
5xdqJ-3zqjA:
undetectable		 5xdqA-3zqjA:
18.59
5xdqJ-3zqjA:
4.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zyj NETRIN-G1

(Homo sapiens) 		PF00053
(Laminin_EGF)
PF00055
(Laminin_N) 		4 ILE B 160
ARG B 275
THR B 145
LEU B 146
 None
NAG  B1370 (-3.2A)
None
None
 0.85A 5xdqA-3zyjB:
undetectable
5xdqJ-3zyjB:
undetectable		 5xdqA-3zyjB:
22.06
5xdqJ-3zyjB:
9.43
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.
4b8c GLUCOSE-REPRESSIBLE
ALCOHOL
DEHYDROGENASE
TRANSCRIPTIONAL
EFFECTOR

(Saccharomyces
cerevisiae) 		PF03372
(Exo_endo_phos)
PF13855
(LRR_8) 		4 ILE D 376
LEU D 399
THR D 370
LEU D 392
 None
 0.83A 5xdqA-4b8cD:
undetectable
5xdqJ-4b8cD:
undetectable		 5xdqA-4b8cD:
21.05
5xdqJ-4b8cD:
6.68
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.
4blp PACKAGING ENZYME P4

(Pseudomonas
phage phi13) 		PF11602
(NTPase_P4) 		4 LEU A 119
MET A  59
THR A  60
LEU A  54
 None
 0.93A 5xdqA-4blpA:
undetectable
5xdqJ-4blpA:
undetectable		 5xdqA-4blpA:
20.49
5xdqJ-4blpA:
12.26
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.
4fcg UNCHARACTERIZED
PROTEIN

(Xanthomonas
euvesicatoria) 		PF13855
(LRR_8) 		4 ILE A 317
LEU A 312
ARG A 262
LEU A 264
 None
 0.78A 5xdqA-4fcgA:
undetectable
5xdqJ-4fcgA:
undetectable		 5xdqA-4fcgA:
19.77
5xdqJ-4fcgA:
10.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i5s PUTATIVE HISTIDINE
KINASE COVS
VICK-LIKE PROTEIN

(Streptococcus
mutans) 		PF00512
(HisKA)
PF00989
(PAS)
PF02518
(HATPase_c) 		4 ILE A 321
LEU A 360
MET A 328
THR A 329
 None
 0.83A 5xdqA-4i5sA:
undetectable
5xdqJ-4i5sA:
undetectable		 5xdqA-4i5sA:
20.74
5xdqJ-4i5sA:
8.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j7b POLO-LIKE KINASE

(Danio rerio) 		PF00659
(POLO_box) 		4 ILE B 523
LEU B 532
MET B 368
LEU B 372
 None
 0.83A 5xdqA-4j7bB:
undetectable
5xdqJ-4j7bB:
undetectable		 5xdqA-4j7bB:
17.32
5xdqJ-4j7bB:
13.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j80 CHAPERONE PROTEIN
DNAJ 2

(Thermus
thermophilus) 		PF00226
(DnaJ)
PF01556
(DnaJ_C) 		4 ILE A 152
LEU A 169
ARG A 147
LEU A 118
 None
 0.88A 5xdqA-4j80A:
undetectable
5xdqJ-4j80A:
undetectable		 5xdqA-4j80A:
18.79
5xdqJ-4j80A:
10.92
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.
4jnj STREPTAVIDIN/RHIZAVI
DIN HYBRID

(Streptomyces
avidinii) 		PF01382
(Avidin) 		4 ILE A  17
ARG A  59
THR A  57
LEU A  56
 None
 0.97A 5xdqA-4jnjA:
undetectable
5xdqJ-4jnjA:
undetectable		 5xdqA-4jnjA:
11.29
5xdqJ-4jnjA:
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.
4k0u LIPOPROTEIN OUTS

(Dickeya
dadantii) 		PF09691
(T2SS_PulS_OutS) 		4 ARG A 120
MET A 122
THR A 123
LEU A 126
 None
 0.90A 5xdqA-4k0uA:
undetectable
5xdqJ-4k0uA:
undetectable		 5xdqA-4k0uA:
11.32
5xdqJ-4k0uA:
20.39
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.
4kem MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Azospirillum
lipoferum) 		PF13378
(MR_MLE_C) 		4 LEU A 275
ARG A 303
MET A 307
LEU A 308
 None
 0.95A 5xdqA-4kemA:
undetectable
5xdqJ-4kemA:
undetectable		 5xdqA-4kemA:
21.75
5xdqJ-4kemA:
9.57
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.
4n2x DL-2-HALOACID
DEHALOGENASE

(Methylobacterium
sp. CPA1) 		PF10778
(DehI) 		4 ARG A 249
MET A 251
THR A 252
LEU A 255
 None
 0.74A 5xdqA-4n2xA:
undetectable
5xdqJ-4n2xA:
undetectable		 5xdqA-4n2xA:
20.46
5xdqJ-4n2xA:
11.99
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.
4om9 SERINE PROTEASE PET

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		4 ILE A 662
LEU A 683
THR A 674
LEU A 672
 None
 0.67A 5xdqA-4om9A:
undetectable
5xdqJ-4om9A:
undetectable		 5xdqA-4om9A:
19.71
5xdqJ-4om9A:
5.34
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.
4oqf PROTEIN RECA

(Mycobacterium
tuberculosis) 		PF00154
(RecA) 		4 ILE A 144
MET A 179
THR A 180
LEU A 183
 None
 0.95A 5xdqA-4oqfA:
undetectable
5xdqJ-4oqfA:
undetectable		 5xdqA-4oqfA:
20.15
5xdqJ-4oqfA:
12.07
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.
4q5w MATERNAL PROTEIN
TUDOR

(Drosophila
melanogaster) 		PF00567
(TUDOR) 		4 LEU A2150
ARG A2132
THR A2134
LEU A2141
 None
 0.88A 5xdqA-4q5wA:
undetectable
5xdqJ-4q5wA:
undetectable		 5xdqA-4q5wA:
14.40
5xdqJ-4q5wA:
16.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qbu ZMAA

(Bacillus cereus) 		PF00698
(Acyl_transf_1) 		4 ILE A 189
LEU A  98
ARG A 363
LEU A 386
 None
 0.84A 5xdqA-4qbuA:
undetectable
5xdqJ-4qbuA:
undetectable		 5xdqA-4qbuA:
20.36
5xdqJ-4qbuA:
10.05
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.
4qmh LP04448P

(Drosophila
melanogaster) 		PF12348
(CLASP_N) 		4 ILE A 898
LEU A 901
ARG A 936
LEU A 942
 None
 0.90A 5xdqA-4qmhA:
1.9
5xdqJ-4qmhA:
undetectable		 5xdqA-4qmhA:
18.04
5xdqJ-4qmhA:
10.37
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.
4r85 CYTOSINE DEAMINASE

(Klebsiella
pneumoniae) 		PF07969
(Amidohydro_3) 		4 ILE A 301
LEU A 296
ARG A 229
LEU A 221
 None
 0.94A 5xdqA-4r85A:
undetectable
5xdqJ-4r85A:
undetectable		 5xdqA-4r85A:
22.06
5xdqJ-4r85A:
10.42
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.
4rwt LEIOMODIN-2

(Homo sapiens) 		no annotation 4 ARG C 309
MET C 312
THR C 313
LEU C 316
 None
 0.64A 5xdqA-4rwtC:
undetectable
5xdqJ-4rwtC:
undetectable		 5xdqA-4rwtC:
19.44
5xdqJ-4rwtC:
9.30
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.
4wuj GLYCOSIDE HYDROLASE
FAMILY 15, CELLULOSE
SIGNALING ASSOCIATED
PROTEIN ENVOY

(Trichoderma
reesei) 		PF13426
(PAS_9) 		4 ILE A  81
LEU A  78
THR A 101
LEU A 100
 None
None
FMN  A5201 (-3.4A)
None
 0.89A 5xdqA-4wujA:
undetectable
5xdqJ-4wujA:
undetectable		 5xdqA-4wujA:
16.16
5xdqJ-4wujA:
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.
4zi6 CYTOSOL
AMINOPEPTIDASE

(Helicobacter
pylori) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		4 TYR A 166
MET A 170
THR A 171
LEU A 174
 None
 0.64A 5xdqA-4zi6A:
undetectable
5xdqJ-4zi6A:
undetectable		 5xdqA-4zi6A:
22.57
5xdqJ-4zi6A:
9.28
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.
4zvi DNA GYRASE SUBUNIT B

(Escherichia
coli) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		4 ARG A 286
MET A 289
THR A 290
LEU A 293
 None
 1.01A 5xdqA-4zviA:
undetectable
5xdqJ-4zviA:
undetectable		 5xdqA-4zviA:
20.00
5xdqJ-4zviA:
10.18
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.
5aeu BIPHENYL DIOXYGENASE
SUBUNIT BETA

(Paraburkholderia
xenovorans) 		PF00866
(Ring_hydroxyl_B) 		4 ILE B 167
LEU B  50
ARG B  33
LEU B  38
 None
 0.91A 5xdqA-5aeuB:
undetectable
5xdqJ-5aeuB:
undetectable		 5xdqA-5aeuB:
15.05
5xdqJ-5aeuB:
18.71
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.
5cyl FIMBRIAL SUBUNIT
CUPB6

(Pseudomonas
aeruginosa) 		PF00419
(Fimbrial) 		4 ILE A 204
LEU A 140
THR A  33
LEU A 128
 None
 0.95A 5xdqA-5cylA:
undetectable
5xdqJ-5cylA:
undetectable		 5xdqA-5cylA:
20.50
5xdqJ-5cylA:
9.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f64 POSITIVE
TRANSCRIPTION
REGULATOR EVGA

(Shigella
flexneri) 		PF00072
(Response_reg)
PF00196
(GerE) 		4 ILE A 155
LEU A 156
ARG A 181
LEU A 186
 None
 0.97A 5xdqA-5f64A:
undetectable
5xdqJ-5f64A:
undetectable		 5xdqA-5f64A:
17.71
5xdqJ-5f64A:
13.59
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.
5gs0 TOLL-LIKE RECEPTOR 3

(Homo sapiens) 		PF13516
(LRR_6)
PF13855
(LRR_8) 		4 LEU A 255
MET A 278
THR A 277
LEU A 276
 None
NAG  A 806 (-4.3A)
None
None
 0.88A 5xdqA-5gs0A:
undetectable
5xdqJ-5gs0A:
undetectable		 5xdqA-5gs0A:
21.21
5xdqJ-5gs0A:
8.92
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.
5gs0 TOLL-LIKE RECEPTOR 3

(Homo sapiens) 		PF13516
(LRR_6)
PF13855
(LRR_8) 		4 LEU A 281
MET A 278
THR A 277
LEU A 300
 None
NAG  A 806 (-4.3A)
None
None
 0.92A 5xdqA-5gs0A:
undetectable
5xdqJ-5gs0A:
undetectable		 5xdqA-5gs0A:
21.21
5xdqJ-5gs0A:
8.92
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.
5h2t TREHALOSE SYNTHASE

(Thermomonospora
curvata) 		no annotation 4 ILE A 305
LEU A 493
ARG A 298
LEU A 377
 None
 0.78A 5xdqA-5h2tA:
undetectable
5xdqJ-5h2tA:
undetectable		 5xdqA-5h2tA:
20.56
5xdqJ-5h2tA:
6.44
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.
5hm5 TOPOISOMERASE V

(Methanopyrus
kandleri) 		PF13412
(HTH_24)
PF14520
(HHH_5) 		4 ILE A 285
ARG A 276
THR A 274
LEU A 273
 None
 0.89A 5xdqA-5hm5A:
2.6
5xdqJ-5hm5A:
undetectable		 5xdqA-5hm5A:
19.50
5xdqJ-5hm5A:
5.25
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.
5i2q EF-HAND
DOMAIN-CONTAINING
PROTEIN D2

(Homo sapiens) 		PF13405
(EF-hand_6) 		4 ILE A 156
LEU A 171
MET A 121
LEU A 117
 None
 0.85A 5xdqA-5i2qA:
undetectable
5xdqJ-5i2qA:
undetectable		 5xdqA-5i2qA:
11.61
5xdqJ-5i2qA:
21.85
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.
5ic8 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		no annotation 4 ARG A 127
MET A 130
THR A 131
LEU A 134
 None
 0.72A 5xdqA-5ic8A:
3.4
5xdqJ-5ic8A:
undetectable		 5xdqA-5ic8A:
20.39
5xdqJ-5ic8A:
11.58
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.
5jw7 E3 UBIQUITIN-PROTEIN
LIGASE TRIM56

(Homo sapiens) 		PF13445
(zf-RING_UBOX) 		4 ILE B  23
LEU B  48
THR B  33
LEU B  34
 None
 0.67A 5xdqA-5jw7B:
undetectable
5xdqJ-5jw7B:
undetectable		 5xdqA-5jw7B:
10.76
5xdqJ-5jw7B:
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.
5jwf ASP/GLU-SPECIFIC
DIPEPTIDYL-PEPTIDASE

(Porphyromonas
gingivalis) 		PF10459
(Peptidase_S46) 		4 ILE A 703
LEU A 700
THR A  82
LEU A  81
 None
 0.77A 5xdqA-5jwfA:
undetectable
5xdqJ-5jwfA:
undetectable		 5xdqA-5jwfA:
20.60
5xdqJ-5jwfA:
6.19
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.
5jxk ASP/GLU-SPECIFIC
DIPEPTIDYL-PEPTIDASE

(Porphyromonas
endodontalis) 		PF10459
(Peptidase_S46) 		4 ILE A 700
LEU A 697
THR A  82
LEU A  81
 None
 0.75A 5xdqA-5jxkA:
2.1
5xdqJ-5jxkA:
undetectable		 5xdqA-5jxkA:
18.80
5xdqJ-5jxkA:
5.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kxb WISTERIA FLORIBUNDA
AGGLUTININ

(Wisteria
floribunda) 		PF00139
(Lectin_legB) 		4 ILE A 230
LEU A 231
THR A 205
LEU A 206
 None
 1.01A 5xdqA-5kxbA:
undetectable
5xdqJ-5kxbA:
undetectable		 5xdqA-5kxbA:
17.34
5xdqJ-5kxbA:
13.30
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.
5l9w ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT

(Aromatoleum
aromaticum) 		PF01968
(Hydantoinase_A)
PF05378
(Hydant_A_N) 		4 TYR B 224
MET B 228
THR B 229
LEU B 232
 None
 0.57A 5xdqA-5l9wB:
undetectable
5xdqJ-5l9wB:
undetectable		 5xdqA-5l9wB:
22.24
5xdqJ-5l9wB:
6.67
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.
5mwl INOSITOL-PENTAKISPHO
SPHATE 2-KINASE

(Mus musculus) 		PF06090
(Ins_P5_2-kin) 		4 LEU A 452
TYR A 392
MET A 396
THR A 397
 5MY  A 502 (-4.6A)
None
None
None
 0.83A 5xdqA-5mwlA:
undetectable
5xdqJ-5mwlA:
undetectable		 5xdqA-5mwlA:
19.60
5xdqJ-5mwlA:
8.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nfu SERINE/THREONINE-PRO
TEIN KINASE PLK1

(Homo sapiens) 		no annotation 4 ILE A 532
LEU A 541
MET A 377
LEU A 381
 None
 0.82A 5xdqA-5nfuA:
undetectable
5xdqJ-5nfuA:
undetectable		 5xdqA-5nfuA:
undetectable
5xdqJ-5nfuA:
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.
5nm7 PEPTIDOGLYCAN-BINDIN
G DOMAIN 1

(Burkholderia) 		no annotation 4 TYR G 117
ARG G 119
MET G 122
LEU G 126
 None
 0.96A 5xdqA-5nm7G:
undetectable
5xdqJ-5nm7G:
undetectable		 5xdqA-5nm7G:
undetectable
5xdqJ-5nm7G:
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.
5o0l RETICULON-4 RECEPTOR

(Mus musculus) 		no annotation 4 LEU A 112
ARG A  61
THR A  84
LEU A 107
 None
 0.80A 5xdqA-5o0lA:
undetectable
5xdqJ-5o0lA:
undetectable		 5xdqA-5o0lA:
20.26
5xdqJ-5o0lA:
10.53
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.
5vob ENVELOPE
GLYCOPROTEIN UL128

(Human
betaherpesvirus
5) 		no annotation 4 ILE C 109
LEU C 103
THR C  85
LEU C  84
 None
 0.84A 5xdqA-5vobC:
undetectable
5xdqJ-5vobC:
undetectable		 5xdqA-5vobC:
14.92
5xdqJ-5vobC:
19.75
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.
5wug BETA-GLUCOSIDASE

(Paenibacillus
barengoltzii) 		no annotation 4 LEU A 243
TYR A  76
ARG A  78
LEU A 591
 None
 0.93A 5xdqA-5wugA:
undetectable
5xdqJ-5wugA:
undetectable		 5xdqA-5wugA:
undetectable
5xdqJ-5wugA:
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.
5xag TUBULIN TYROSINE
LIGASE

(Gallus gallus) 		no annotation 4 ILE F 201
LEU F 221
THR F 278
LEU F 271
 None
 0.77A 5xdqA-5xagF:
undetectable
5xdqJ-5xagF:
undetectable		 5xdqA-5xagF:
undetectable
5xdqJ-5xagF:
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.
5y58 ATP-DEPENDENT DNA
HELICASE II SUBUNIT
1

(Saccharomyces
cerevisiae) 		no annotation 4 LEU A 274
ARG A 369
THR A 431
LEU A 432
 None
 0.85A 5xdqA-5y58A:
2.3
5xdqJ-5y58A:
undetectable		 5xdqA-5y58A:
undetectable
5xdqJ-5y58A:
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.
5yks SNF-RELATED
SERINE/THREONINE-PRO
TEIN KINASE

(Homo sapiens) 		no annotation 4 ILE A 204
LEU A 201
THR A 157
LEU A 156
 None
 0.74A 5xdqA-5yksA:
undetectable
5xdqJ-5yksA:
undetectable		 5xdqA-5yksA:
19.85
5xdqJ-5yksA:
9.42
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.
6f91 PUTATIVE
ALPHA-1,2-MANNOSIDAS
E

(Bacteroides
thetaiotaomicron) 		no annotation 4 ILE A 678
ARG A 713
THR A 708
LEU A 707
 None
 0.95A 5xdqA-6f91A:
undetectable
5xdqJ-6f91A:
undetectable		 5xdqA-6f91A:
undetectable
5xdqJ-6f91A:
undetectable