SIMILAR PATTERNS OF AMINO ACIDS FOR 5X1F_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.
1b8i PROTEIN
(ULTRABITHORAX
HOMEOTIC PROTEIN IV)

(Drosophila
melanogaster) 		PF00046
(Homeobox) 		4 LEU A 138
ARG A 129
THR A 127
LEU A 126
 None
 0.89A 5x1fA-1b8iA:
undetectable
5x1fJ-1b8iA:
undetectable		 5x1fA-1b8iA:
9.53
5x1fJ-1b8iA:
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.
1flo FLP RECOMBINASE

(Saccharomyces
cerevisiae) 		PF03930
(Flp_N)
PF05202
(Flp_C) 		4 ARG A 308
MET A 311
THR A 312
LEU A 315
 None
 0.77A 5x1fA-1floA:
0.2
5x1fJ-1floA:
0.0		 5x1fA-1floA:
21.78
5x1fJ-1floA:
9.80
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.
1har HIV-1 REVERSE
TRANSCRIPTASE
(FINGERS AND PALM
SUBDOMAINS)

(Human
immunodeficiency
virus 1) 		PF00078
(RVT_1) 		4 LEU A 109
MET A 164
THR A 165
LEU A 168
 None
 0.76A 5x1fA-1harA:
undetectable
5x1fJ-1harA:
0.2		 5x1fA-1harA:
18.00
5x1fJ-1harA:
13.37
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.
1hom ANTENNAPEDIA PROTEIN

(Drosophila
melanogaster) 		PF00046
(Homeobox) 		4 LEU A  38
ARG A  29
THR A  27
LEU A  26
 None
 1.09A 5x1fA-1homA:
undetectable
5x1fJ-1homA:
0.1		 5x1fA-1homA:
8.24
5x1fJ-1homA:
16.42
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.
1jed SULFATE
ADENYLYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		4 LEU A  49
ARG A  40
THR A  38
LEU A  37
 None
 0.71A 5x1fA-1jedA:
0.1
5x1fJ-1jedA:
0.0		 5x1fA-1jedA:
21.17
5x1fJ-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.
1jmu PROTEIN MU-1

(Reovirus sp.) 		PF05993
(Reovirus_M2) 		4 ARG B 377
MET B 495
THR B 494
LEU B 493
 None
 1.04A 5x1fA-1jmuB:
undetectable
5x1fJ-1jmuB:
0.0		 5x1fA-1jmuB:
22.47
5x1fJ-1jmuB:
7.95
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.
1k7h ALKALINE PHOSPHATASE

(Pandalus
borealis) 		PF00245
(Alk_phosphatase) 		4 LEU A 331
ARG A 313
THR A 278
LEU A 277
 None
SO4  A 483 (-2.9A)
None
None
 1.06A 5x1fA-1k7hA:
0.0
5x1fJ-1k7hA:
0.0		 5x1fA-1k7hA:
22.22
5x1fJ-1k7hA:
8.82
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.
1lrw METHANOL
DEHYDROGENASE
SUBUNIT 1

(Paracoccus
denitrificans) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		4 ARG A 383
MET A 416
THR A 437
LEU A 436
 None
 0.86A 5x1fA-1lrwA:
undetectable
5x1fJ-1lrwA:
0.0		 5x1fA-1lrwA:
21.34
5x1fJ-1lrwA:
6.95
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.
1mtp SERINE PROTEINASE
INHIBITOR (SERPIN),
CHAIN A

(Thermobifida
fusca) 		PF00079
(Serpin) 		4 LEU A  70
ARG A  86
THR A 159
LEU A 158
 None
 1.02A 5x1fA-1mtpA:
0.0
5x1fJ-1mtpA:
0.0		 5x1fA-1mtpA:
20.79
5x1fJ-1mtpA:
13.41
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.
1r6x ATP:SULFATE
ADENYLYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		4 LEU A  49
ARG A  40
THR A  38
LEU A  37
 None
 0.71A 5x1fA-1r6xA:
0.0
5x1fJ-1r6xA:
undetectable		 5x1fA-1r6xA:
21.48
5x1fJ-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.
1san ANTENNAPEDIA PROTEIN

(Drosophila
melanogaster) 		PF00046
(Homeobox) 		4 LEU A  38
ARG A  29
THR A  27
LEU A  26
 None
 0.90A 5x1fA-1sanA:
undetectable
5x1fJ-1sanA:
undetectable		 5x1fA-1sanA:
7.27
5x1fJ-1sanA:
11.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sxj ACTIVATOR 1 40 KDA
SUBUNIT

(Saccharomyces
cerevisiae) 		PF13177
(DNA_pol3_delta2) 		4 LEU E  40
MET E 158
THR E 157
LEU E 154
 None
 1.00A 5x1fA-1sxjE:
3.2
5x1fJ-1sxjE:
undetectable		 5x1fA-1sxjE:
19.27
5x1fJ-1sxjE:
9.54
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.
1uso HEPATOCYTE NUCLEAR
FACTOR 1-ALPHA

(Thermus
thermophilus) 		PF01329
(Pterin_4a) 		4 LEU A  77
ARG A  50
THR A  45
LEU A  44
 None
 1.03A 5x1fA-1usoA:
undetectable
5x1fJ-1usoA:
undetectable		 5x1fA-1usoA:
8.56
5x1fJ-1usoA:
22.50
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.
1xfr PHEROMONE-BINDING
PROTEIN

(Bombyx mori) 		PF01395
(PBP_GOBP) 		4 LEU A  55
MET A  23
THR A  24
LEU A  25
 None
 1.05A 5x1fA-1xfrA:
undetectable
5x1fJ-1xfrA:
undetectable		 5x1fA-1xfrA:
11.86
5x1fJ-1xfrA:
25.25
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.
1xio ANABAENA SENSORY
RHODOPSIN

(Nostoc sp. PCC
7120) 		PF01036
(Bac_rhodopsin) 		4 LEU A  84
TYR A 165
ARG A 151
THR A 170
 None
None
PEE  A 306 (-3.9A)
None
 0.83A 5x1fA-1xioA:
2.3
5x1fJ-1xioA:
undetectable		 5x1fA-1xioA:
21.56
5x1fJ-1xioA:
12.67
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.
2b9b FUSION GLYCOPROTEIN
F0

(Mammalian
rubulavirus 5) 		PF00523
(Fusion_gly) 		4 LEU A 227
TYR A  72
THR A  77
LEU A  80
 None
 0.63A 5x1fA-2b9bA:
0.9
5x1fJ-2b9bA:
undetectable		 5x1fA-2b9bA:
21.63
5x1fJ-2b9bA:
9.53
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.
2bx7 DIHYDROOROTATE
DEHYDROGENASE

(Lactococcus
lactis) 		PF01180
(DHO_dh) 		4 LEU A 128
TYR A 168
MET A 177
LEU A 181
 None
 1.06A 5x1fA-2bx7A:
undetectable
5x1fJ-2bx7A:
undetectable		 5x1fA-2bx7A:
19.78
5x1fJ-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.
2c9k PESTICIDAL CRYSTAL
PROTEIN CRY4AA

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		4 LEU A 205
TYR A  73
MET A 299
THR A 297
 None
 1.09A 5x1fA-2c9kA:
2.8
5x1fJ-2c9kA:
undetectable		 5x1fA-2c9kA:
21.01
5x1fJ-2c9kA:
7.50
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.
2ecf DIPEPTIDYL PEPTIDASE
IV

(Stenotrophomonas
maltophilia) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 LEU A 265
ARG A 325
THR A 318
LEU A 319
 None
 1.08A 5x1fA-2ecfA:
undetectable
5x1fJ-2ecfA:
undetectable		 5x1fA-2ecfA:
21.53
5x1fJ-2ecfA:
5.83
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.
2fe8 REPLICASE
POLYPROTEIN 1AB

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF08715
(Viral_protease) 		4 ARG A 167
MET A 170
THR A 171
LEU A 174
 None
 0.82A 5x1fA-2fe8A:
undetectable
5x1fJ-2fe8A:
undetectable		 5x1fA-2fe8A:
19.88
5x1fJ-2fe8A:
10.79
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.
2gqs PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE

(Escherichia
coli) 		PF01259
(SAICAR_synt) 		4 LEU A  84
TYR A   8
THR A  14
LEU A  26
 ADP  A 238 (-3.8A)
ADP  A 238 (-4.9A)
None
None
 1.04A 5x1fA-2gqsA:
undetectable
5x1fJ-2gqsA:
undetectable		 5x1fA-2gqsA:
16.99
5x1fJ-2gqsA:
11.81
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.
2hnz REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H

(Human
immunodeficiency
virus 1) 		PF00075
(RNase_H)
PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		4 LEU A 109
MET A 164
THR A 165
LEU A 168
 None
 0.83A 5x1fA-2hnzA:
2.3
5x1fJ-2hnzA:
undetectable		 5x1fA-2hnzA:
19.77
5x1fJ-2hnzA:
6.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2igp RETINOBLASTOMA-ASSOC
IATED PROTEIN HEC

(Homo sapiens) 		PF03801
(Ndc80_HEC) 		4 LEU A 185
ARG A  97
THR A 104
LEU A 103
 None
BME  A 269 (-3.2A)
None
None
 1.09A 5x1fA-2igpA:
undetectable
5x1fJ-2igpA:
undetectable		 5x1fA-2igpA:
12.50
5x1fJ-2igpA:
15.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2is7 ALDOSE REDUCTASE

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		4 LEU A 257
MET A 285
THR A 286
LEU A 289
 None
 0.96A 5x1fA-2is7A:
undetectable
5x1fJ-2is7A:
undetectable		 5x1fA-2is7A:
19.46
5x1fJ-2is7A:
11.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2la7 UNCHARACTERIZED
PROTEIN

(Paraburkholderia
xenovorans) 		PF03724
(META) 		4 LEU A 112
ARG A 117
THR A 137
LEU A 138
 None
 0.89A 5x1fA-2la7A:
undetectable
5x1fJ-2la7A:
undetectable		 5x1fA-2la7A:
14.14
5x1fJ-2la7A:
15.97
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.
2ocd L-ASPARAGINASE I

(Vibrio cholerae) 		PF00710
(Asparaginase) 		4 ARG A 157
MET A 335
THR A 336
LEU A 337
 None
 1.00A 5x1fA-2ocdA:
undetectable
5x1fJ-2ocdA:
undetectable		 5x1fA-2ocdA:
20.19
5x1fJ-2ocdA:
11.04
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.
2ok0 FAB ED10 HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 LEU H  37
MET H  80
THR H  68
LEU H  69
 None
 1.09A 5x1fA-2ok0H:
undetectable
5x1fJ-2ok0H:
undetectable		 5x1fA-2ok0H:
16.02
5x1fJ-2ok0H:
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.
2pzi PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNG

(Mycobacterium
tuberculosis) 		PF00069
(Pkinase)
PF16918
(PknG_TPR)
PF16919
(PknG_rubred) 		4 LEU A 426
TYR A 592
THR A 579
LEU A 582
 None
 1.03A 5x1fA-2pziA:
0.3
5x1fJ-2pziA:
undetectable		 5x1fA-2pziA:
21.85
5x1fJ-2pziA:
6.88
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.
2qo3 ERYAII ERYTHROMYCIN
POLYKETIDE SYNTHASE
MODULES 3 AND 4

(Saccharopolyspora
erythraea) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 LEU A 131
ARG A 184
MET A 189
LEU A 191
 None
 1.10A 5x1fA-2qo3A:
undetectable
5x1fJ-2qo3A:
undetectable		 5x1fA-2qo3A:
20.35
5x1fJ-2qo3A:
4.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rcb GLUTAMATE [NMDA]
RECEPTOR SUBUNIT 3B

(Rattus
norvegicus) 		PF10613
(Lig_chan-Glu_bd) 		4 LEU A  74
TYR A 271
ARG A 270
LEU A 264
 None
 1.05A 5x1fA-2rcbA:
undetectable
5x1fJ-2rcbA:
undetectable		 5x1fA-2rcbA:
21.58
5x1fJ-2rcbA:
11.64
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.
2uw1 PLASTID DELTA4
MULTIFUNCTIONAL
ACYL-ACYL CARRIER
PROTEIN DESATURASE

(Hedera helix) 		PF03405
(FA_desaturase_2) 		4 LEU B 272
MET B 346
THR B 345
LEU B 358
 None
 0.92A 5x1fA-2uw1B:
undetectable
5x1fJ-2uw1B:
undetectable		 5x1fA-2uw1B:
20.56
5x1fJ-2uw1B:
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.
2w8s PHOSPHONATE
MONOESTER HYDROLASE

(Paraburkholderia
caryophylli) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		4 LEU A  87
MET A 374
THR A 376
LEU A 378
 None
 1.05A 5x1fA-2w8sA:
undetectable
5x1fJ-2w8sA:
undetectable		 5x1fA-2w8sA:
19.33
5x1fJ-2w8sA:
8.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wn2 DISCOIDIN-1 SUBUNIT
A

(Dictyostelium
discoideum) 		PF00754
(F5_F8_type_C)
PF09458
(H_lectin) 		4 ARG A 128
MET A  72
THR A 151
LEU A   6
 None
 1.08A 5x1fA-2wn2A:
undetectable
5x1fJ-2wn2A:
undetectable		 5x1fA-2wn2A:
18.15
5x1fJ-2wn2A:
15.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.98A 5x1fA-2wokA:
3.2
5x1fJ-2wokA:
undetectable		 5x1fA-2wokA:
21.99
5x1fJ-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.
2xlr FLAVIN-CONTAINING
MONOOXYGENASE

(Methylophaga
aminisulfidivorans) 		PF00743
(FMO-like) 		4 LEU A 301
TYR A 376
THR A 366
LEU A 365
 None
 1.01A 5x1fA-2xlrA:
undetectable
5x1fJ-2xlrA:
undetectable		 5x1fA-2xlrA:
21.20
5x1fJ-2xlrA:
9.76
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.
2y69 CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1

(Bos taurus) 		PF02238
(COX7a) 		5 TYR J  32
ARG J  33
MET J  36
THR J  37
LEU J  40
 None
 0.34A 5x1fA-2y69J:
undetectable
5x1fJ-2y69J:
7.9		 5x1fA-2y69J:
10.31
5x1fJ-2y69J:
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.
2ybq METHYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00590
(TP_methylase) 		4 LEU A  61
ARG A  36
THR A  34
LEU A  33
 None
 1.06A 5x1fA-2ybqA:
undetectable
5x1fJ-2ybqA:
undetectable		 5x1fA-2ybqA:
21.48
5x1fJ-2ybqA:
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.
2ziu MUS81 PROTEIN

(Danio rerio) 		PF02732
(ERCC4) 		4 TYR A 471
MET A 475
THR A 476
LEU A 479
 None
 0.66A 5x1fA-2ziuA:
undetectable
5x1fJ-2ziuA:
undetectable		 5x1fA-2ziuA:
18.55
5x1fJ-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.
3a75 GAMMA-GLUTAMYLTRANSP
EPTIDASE LARGE CHAIN

(Bacillus
subtilis) 		PF01019
(G_glu_transpept) 		4 TYR A 332
MET A 328
THR A 327
LEU A 324
 None
 1.08A 5x1fA-3a75A:
undetectable
5x1fJ-3a75A:
undetectable		 5x1fA-3a75A:
23.06
5x1fJ-3a75A:
12.81
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.
3brc CONSERVED PROTEIN OF
UNKNOWN FUNCTION

(Methanothermobacter
thermautotrophicus) 		PF11576
(DUF3236) 		4 LEU A  96
MET A 145
THR A 146
LEU A 149
 None
 0.94A 5x1fA-3brcA:
undetectable
5x1fJ-3brcA:
undetectable		 5x1fA-3brcA:
15.00
5x1fJ-3brcA:
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.
3ebb PHOSPHOLIPASE
A2-ACTIVATING
PROTEIN

(Homo sapiens) 		PF08324
(PUL) 		4 TYR A 709
ARG A 680
MET A 676
LEU A 675
 None
 1.07A 5x1fA-3ebbA:
2.4
5x1fJ-3ebbA:
undetectable		 5x1fA-3ebbA:
19.27
5x1fJ-3ebbA:
12.31
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.
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
 1.43A 5x1fA-3gf6A:
undetectable
5x1fJ-3gf6A:
undetectable		 5x1fA-3gf6A:
19.49
5x1fJ-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.
3h4z MALTOSE-BINDING
PERIPLASMIC PROTEIN
FUSED WITH ALLERGEN
DERP7

(Escherichia
coli;
Dermatophagoides
pteronyssinus) 		PF13416
(SBP_bac_8)
PF16984
(Grp7_allergen) 		4 ARG A1195
MET A1198
THR A1199
LEU A1202
 None
 0.98A 5x1fA-3h4zA:
undetectable
5x1fJ-3h4zA:
undetectable		 5x1fA-3h4zA:
22.01
5x1fJ-3h4zA:
6.95
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.
3hi8 PROLIFERATING CELL
NUCLEAR ANTIGEN PCNA

(Haloferax
volcanii) 		PF00705
(PCNA_N)
PF02747
(PCNA_C) 		4 LEU A  15
ARG A  37
THR A  50
LEU A  51
 None
 1.02A 5x1fA-3hi8A:
undetectable
5x1fJ-3hi8A:
undetectable		 5x1fA-3hi8A:
20.53
5x1fJ-3hi8A:
20.59
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.
3k13 5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE

(Bacteroides
thetaiotaomicron) 		PF00809
(Pterin_bind) 		4 ARG A 407
MET A 410
THR A 411
LEU A 414
 None
 1.01A 5x1fA-3k13A:
undetectable
5x1fJ-3k13A:
undetectable		 5x1fA-3k13A:
20.20
5x1fJ-3k13A:
11.46
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.
3mt1 PUTATIVE
CARBOXYNORSPERMIDINE
DECARBOXYLASE
PROTEIN

(Sinorhizobium
meliloti) 		PF00278
(Orn_DAP_Arg_deC) 		4 LEU A  34
ARG A  20
MET A  18
LEU A  14
 None
 0.95A 5x1fA-3mt1A:
undetectable
5x1fJ-3mt1A:
undetectable		 5x1fA-3mt1A:
21.20
5x1fJ-3mt1A:
12.64
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.
3na0 CHOLESTEROL
SIDE-CHAIN CLEAVAGE
ENZYME,
MITOCHONDRIAL

(Homo sapiens) 		PF00067
(p450) 		4 LEU A 171
MET A 367
THR A 369
LEU A 371
 None
 1.07A 5x1fA-3na0A:
1.2
5x1fJ-3na0A:
undetectable		 5x1fA-3na0A:
21.08
5x1fJ-3na0A:
8.42
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.
3nmz APC VARIANT PROTEIN

(Homo sapiens) 		PF00514
(Arm) 		4 LEU A 572
ARG A 527
THR A 562
LEU A 563
 None
 1.07A 5x1fA-3nmzA:
undetectable
5x1fJ-3nmzA:
undetectable		 5x1fA-3nmzA:
21.23
5x1fJ-3nmzA:
9.01
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.
3p8c NCK-ASSOCIATED
PROTEIN 1

(Homo sapiens) 		PF09735
(Nckap1) 		4 LEU B 682
ARG B 705
THR B 709
LEU B 712
 None
 1.07A 5x1fA-3p8cB:
1.5
5x1fJ-3p8cB:
undetectable		 5x1fA-3p8cB:
18.35
5x1fJ-3p8cB:
4.26
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.
3q6v BETA-LACTAMASE

(Serratia
fonticola) 		PF00753
(Lactamase_B) 		4 TYR A 191
MET A 141
THR A 142
LEU A 145
 None
 0.98A 5x1fA-3q6vA:
undetectable
5x1fJ-3q6vA:
undetectable		 5x1fA-3q6vA:
17.76
5x1fJ-3q6vA:
14.80
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.
3qp9 TYPE I POLYKETIDE
SYNTHASE PIKAII

(Streptomyces
venezuelae) 		PF08659
(KR) 		4 ARG A 181
MET A 187
THR A 188
LEU A 191
 None
 1.02A 5x1fA-3qp9A:
undetectable
5x1fJ-3qp9A:
undetectable		 5x1fA-3qp9A:
22.76
5x1fJ-3qp9A:
7.05
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.
3sfz APOPTOTIC PEPTIDASE
ACTIVATING FACTOR 1

(Mus musculus) 		PF00400
(WD40)
PF00931
(NB-ARC)
PF12894
(ANAPC4_WD40) 		4 LEU A 400
TYR A 467
ARG A 466
THR A 462
 None
 1.06A 5x1fA-3sfzA:
undetectable
5x1fJ-3sfzA:
undetectable		 5x1fA-3sfzA:
16.89
5x1fJ-3sfzA:
5.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sto SERINE PROTEASE
INHIBITOR

(Schistosoma
haematobium) 		PF00079
(Serpin) 		4 LEU A  47
MET A 392
THR A 391
LEU A 390
 None
 1.03A 5x1fA-3stoA:
undetectable
5x1fJ-3stoA:
undetectable		 5x1fA-3stoA:
20.56
5x1fJ-3stoA:
9.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vts CYTOTOXIN 1

(Hemachatus
haemachatus) 		PF00087
(Toxin_TOLIP) 		4 TYR A  23
ARG A  37
MET A  25
THR A  26
 None
 1.02A 5x1fA-3vtsA:
undetectable
5x1fJ-3vtsA:
undetectable		 5x1fA-3vtsA:
6.94
5x1fJ-3vtsA:
16.13
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.
3wa8 CRISPR-ASSOCIATED
PROTEIN, CSE2 FAMILY

(Meiothermus
ruber) 		PF09485
(CRISPR_Cse2) 		4 LEU A  68
ARG A 164
THR A 105
LEU A 106
 None
 0.86A 5x1fA-3wa8A:
undetectable
5x1fJ-3wa8A:
undetectable		 5x1fA-3wa8A:
13.36
5x1fJ-3wa8A:
15.74
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.
3zqj UVRABC SYSTEM
PROTEIN A

(Mycobacterium
tuberculosis) 		PF00005
(ABC_tran) 		4 LEU A 676
ARG A 688
THR A 628
LEU A 627
 None
 0.74A 5x1fA-3zqjA:
undetectable
5x1fJ-3zqjA:
undetectable		 5x1fA-3zqjA:
18.59
5x1fJ-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.
4blp PACKAGING ENZYME P4

(Pseudomonas
phage phi13) 		PF11602
(NTPase_P4) 		4 LEU A 119
MET A  59
THR A  60
LEU A  54
 None
 0.95A 5x1fA-4blpA:
undetectable
5x1fJ-4blpA:
undetectable		 5x1fA-4blpA:
20.49
5x1fJ-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.
4c6o CAD PROTEIN

(Homo sapiens) 		PF01979
(Amidohydro_1) 		4 LEU A1729
ARG A1722
THR A1716
LEU A1715
 None
 1.08A 5x1fA-4c6oA:
undetectable
5x1fJ-4c6oA:
undetectable		 5x1fA-4c6oA:
23.84
5x1fJ-4c6oA:
12.20
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.
4g6q PUTATIVE
UNCHARACTERIZED
PROTEIN

(Kribbella
flavida) 		PF12840
(HTH_20) 		4 LEU A  82
ARG A  78
THR A  36
LEU A  39
 None
 1.07A 5x1fA-4g6qA:
undetectable
5x1fJ-4g6qA:
undetectable		 5x1fA-4g6qA:
16.97
5x1fJ-4g6qA:
13.66
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.
4gip FUSION GLYCOPROTEIN
F2
FUSION GLYCOPROTEIN
F1

(Mammalian
rubulavirus 5;
Mammalian
rubulavirus 5) 		PF00523
(Fusion_gly)
PF00523
(Fusion_gly) 		4 LEU D 227
TYR A  72
THR A  77
LEU A  80
 None
 0.65A 5x1fA-4gipD:
undetectable
5x1fJ-4gipD:
undetectable		 5x1fA-4gipD:
20.57
5x1fJ-4gipD:
7.58
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.
4ifq NUCLEOPORIN NUP192

(Saccharomyces
cerevisiae) 		PF11894
(Nup192) 		4 LEU A 675
ARG A 693
THR A 697
LEU A 700
 None
 1.05A 5x1fA-4ifqA:
undetectable
5x1fJ-4ifqA:
undetectable		 5x1fA-4ifqA:
17.79
5x1fJ-4ifqA:
4.68
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.
4k3b OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMA

(Neisseria
gonorrhoeae) 		PF01103
(Bac_surface_Ag)
PF07244
(POTRA) 		4 TYR A 296
MET A 301
THR A 302
LEU A 305
 None
 0.95A 5x1fA-4k3bA:
undetectable
5x1fJ-4k3bA:
undetectable		 5x1fA-4k3bA:
19.36
5x1fJ-4k3bA:
5.95
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.
4l9m RAS GUANYL-RELEASING
PROTEIN 1

(Homo sapiens) 		PF00130
(C1_1)
PF00617
(RasGEF)
PF00618
(RasGEF_N)
PF13405
(EF-hand_6) 		4 LEU A 285
MET A 327
THR A 328
LEU A 331
 None
 0.96A 5x1fA-4l9mA:
undetectable
5x1fJ-4l9mA:
undetectable		 5x1fA-4l9mA:
21.58
5x1fJ-4l9mA:
7.87
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.
4mni TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT

(Polaromonas sp.
JS666) 		PF03480
(DctP) 		4 LEU A  63
MET A 237
THR A 236
LEU A 140
 None
 1.04A 5x1fA-4mniA:
undetectable
5x1fJ-4mniA:
undetectable		 5x1fA-4mniA:
20.38
5x1fJ-4mniA:
10.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pj3 INTRON-BINDING
PROTEIN AQUARIUS

(Homo sapiens) 		PF13086
(AAA_11)
PF13087
(AAA_12)
PF16399
(Aquarius_N) 		4 LEU A1119
MET A 820
THR A 819
LEU A 818
 None
 1.01A 5x1fA-4pj3A:
undetectable
5x1fJ-4pj3A:
undetectable		 5x1fA-4pj3A:
15.67
5x1fJ-4pj3A:
6.22
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.
4qxf LEUCINE-RICH
REPEAT-CONTAINING
G-PROTEIN COUPLED
RECEPTOR 4, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Homo sapiens) 		PF01462
(LRRNT)
PF11921
(DUF3439)
PF13855
(LRR_8) 		4 LEU A 160
ARG A 156
THR A 178
LEU A 176
 None
 1.06A 5x1fA-4qxfA:
undetectable
5x1fJ-4qxfA:
undetectable		 5x1fA-4qxfA:
19.16
5x1fJ-4qxfA:
11.60
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.
4r8l UNCHARACTERIZED
PROTEIN

(Cavia porcellus) 		PF00710
(Asparaginase) 		4 ARG A 182
MET A 358
THR A 359
LEU A 360
 None
 1.00A 5x1fA-4r8lA:
undetectable
5x1fJ-4r8lA:
undetectable		 5x1fA-4r8lA:
23.21
5x1fJ-4r8lA:
11.04
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.
4rwt LEIOMODIN-2

(Homo sapiens) 		no annotation 4 ARG C 309
MET C 312
THR C 313
LEU C 316
 None
 1.09A 5x1fA-4rwtC:
undetectable
5x1fJ-4rwtC:
undetectable		 5x1fA-4rwtC:
19.44
5x1fJ-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.
4tl3 ANABAENA SENSORY
RHODOPSIN

(Nostoc sp. PCC
7120) 		PF01036
(Bac_rhodopsin) 		4 LEU A  84
TYR A 165
ARG A 151
THR A 170
 None
None
None
PEE  A 304 ( 4.3A)
 0.88A 5x1fA-4tl3A:
2.3
5x1fJ-4tl3A:
undetectable		 5x1fA-4tl3A:
20.80
5x1fJ-4tl3A:
12.67
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.
4yb9 SOLUTE CARRIER
FAMILY 2,
FACILITATED GLUCOSE
TRANSPORTER MEMBER 5

(Bos taurus) 		PF00083
(Sugar_tr) 		4 TYR D 149
ARG D  98
THR D 101
LEU D 103
 None
 1.03A 5x1fA-4yb9D:
undetectable
5x1fJ-4yb9D:
undetectable		 5x1fA-4yb9D:
24.01
5x1fJ-4yb9D:
7.33
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.
4z7x MDBA

(Actinomyces
oris) 		PF13462
(Thioredoxin_4) 		4 LEU A 196
TYR A 137
MET A 184
LEU A 188
 None
None
None
3CX  A 501 ( 4.9A)
 1.09A 5x1fA-4z7xA:
undetectable
5x1fJ-4z7xA:
undetectable		 5x1fA-4z7xA:
18.47
5x1fJ-4z7xA:
12.61
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.
5c24 HIV-1 REVERSE
TRANSCRIPTASE, P51
SUBUNIT

(Human
immunodeficiency
virus 1) 		PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		4 LEU B 109
MET B 164
THR B 165
LEU B 168
 None
 0.76A 5x1fA-5c24B:
2.5
5x1fJ-5c24B:
undetectable		 5x1fA-5c24B:
20.11
5x1fJ-5c24B:
10.79
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.
5cxw PENICILLIN-BINDING
PROTEIN 1A

(Mycobacterium
tuberculosis) 		PF00905
(Transpeptidase) 		4 LEU A 356
ARG A 505
THR A 468
LEU A 469
 None
 0.95A 5x1fA-5cxwA:
undetectable
5x1fJ-5cxwA:
undetectable		 5x1fA-5cxwA:
23.22
5x1fJ-5cxwA:
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.
5dne L-ASPARAGINASE

(Cavia porcellus) 		PF00710
(Asparaginase) 		4 ARG A 182
MET A 358
THR A 359
LEU A 360
 None
 1.10A 5x1fA-5dneA:
undetectable
5x1fJ-5dneA:
undetectable		 5x1fA-5dneA:
21.08
5x1fJ-5dneA:
6.63
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.
5e7p CELL DIVISION
CONTROL PROTEIN
CDC48

(Mycolicibacterium
smegmatis) 		PF00004
(AAA)
PF02359
(CDC48_N) 		4 LEU A 430
ARG A  37
THR A 464
LEU A 463
 None
 0.98A 5x1fA-5e7pA:
2.2
5x1fJ-5e7pA:
undetectable		 5x1fA-5e7pA:
22.32
5x1fJ-5e7pA:
4.99
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.
5f96 HEAVY CHAIN OF
ANTIBODY CH235.12

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ARG H  82
MET H  18
THR H  19
LEU H  20
 None
 1.06A 5x1fA-5f96H:
undetectable
5x1fJ-5f96H:
undetectable		 5x1fA-5f96H:
18.16
5x1fJ-5f96H:
13.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ip9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1
DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4)
PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		4 LEU B1128
ARG B1108
THR A 375
LEU A 374
 None
 0.93A 5x1fA-5ip9B:
undetectable
5x1fJ-5ip9B:
undetectable		 5x1fA-5ip9B:
16.88
5x1fJ-5ip9B:
4.61
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.
5ixq RECEPTOR-LIKE
PROTEIN KINASE 5

(Arabidopsis
thaliana) 		PF08263
(LRRNT_2)
PF13855
(LRR_8) 		4 LEU A 276
MET A 283
THR A 284
LEU A 306
 None
 1.05A 5x1fA-5ixqA:
undetectable
5x1fJ-5ixqA:
undetectable		 5x1fA-5ixqA:
22.09
5x1fJ-5ixqA:
8.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k9t PROTEIN TRANSLOCASE
SUBUNIT SECA

(Escherichia
coli) 		PF01043
(SecA_PP_bind)
PF07517
(SecA_DEAD) 		4 LEU A 286
ARG A 277
THR A 275
LEU A 274
 None
 1.05A 5x1fA-5k9tA:
undetectable
5x1fJ-5k9tA:
undetectable		 5x1fA-5k9tA:
21.11
5x1fJ-5k9tA:
7.95
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.
5kdx METALLOPEPTIDASE

(Pseudomonas
aeruginosa) 		PF13402
(Peptidase_M60) 		4 LEU A 829
TYR A 887
THR A 861
LEU A 860
 None
 0.97A 5x1fA-5kdxA:
undetectable
5x1fJ-5kdxA:
undetectable		 5x1fA-5kdxA:
20.04
5x1fJ-5kdxA:
6.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l7x MOUSE ANTIBODY FAB
FRAGMENT, IGG1-KAPPA
HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 LEU H  37
MET H  80
THR H  68
LEU H  69
 None
 1.08A 5x1fA-5l7xH:
undetectable
5x1fJ-5l7xH:
undetectable		 5x1fA-5l7xH:
18.04
5x1fJ-5l7xH:
15.42
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.
5mwl INOSITOL-PENTAKISPHO
SPHATE 2-KINASE

(Mus musculus) 		PF06090
(Ins_P5_2-kin) 		5 LEU A 452
TYR A 392
ARG A 393
MET A 396
THR A 397
 5MY  A 502 (-4.6A)
None
None
None
None
 0.94A 5x1fA-5mwlA:
undetectable
5x1fJ-5mwlA:
undetectable		 5x1fA-5mwlA:
19.60
5x1fJ-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.
5nm7 PEPTIDOGLYCAN-BINDIN
G DOMAIN 1

(Burkholderia) 		no annotation 4 TYR G 117
ARG G 119
MET G 122
LEU G 126
 None
 0.90A 5x1fA-5nm7G:
undetectable
5x1fJ-5nm7G:
undetectable		 5x1fA-5nm7G:
undetectable
5x1fJ-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.
5nqd ARSENITE OXIDASE
LARGE SUBUNIT AIOA
[3FE-4S] CLUSTER,
MO-MOLYBDOPTERIN
COFACTOR-BINDING
ACTIVE SITE

(Rhizobium sp.
NT-26) 		no annotation 4 LEU A 163
ARG A 149
MET A 604
LEU A 600
 None
 1.01A 5x1fA-5nqdA:
undetectable
5x1fJ-5nqdA:
undetectable		 5x1fA-5nqdA:
undetectable
5x1fJ-5nqdA:
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.
5t8v PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		PF12765
(Cohesin_HEAT)
PF12830
(Nipped-B_C) 		4 LEU A 540
ARG A 515
MET A 518
LEU A 594
 None
CIT  A2001 (-3.0A)
None
None
 1.06A 5x1fA-5t8vA:
undetectable
5x1fJ-5t8vA:
undetectable		 5x1fA-5t8vA:
15.48
5x1fJ-5t8vA:
3.22
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.
5tk6 OXSA PROTEIN

(Bacillus
megaterium) 		PF12917
(HD_2) 		4 LEU A   5
TYR A  65
THR A 112
LEU A 109
 None
 1.09A 5x1fA-5tk6A:
undetectable
5x1fJ-5tk6A:
undetectable		 5x1fA-5tk6A:
15.89
5x1fJ-5tk6A:
16.27
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.
5tva 6-CARBOXYHEXANOATE--
COA LIGASE

(Aquifex
aeolicus) 		PF03744
(BioW) 		4 LEU A  84
ARG A 201
THR A 203
LEU A 205
 None
 1.01A 5x1fA-5tvaA:
undetectable
5x1fJ-5tvaA:
undetectable		 5x1fA-5tvaA:
19.00
5x1fJ-5tvaA:
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.
5v1m U6 SNRNA
PHOSPHODIESTERASE

(Homo sapiens) 		PF09749
(HVSL) 		4 LEU A 123
MET A 145
THR A 146
LEU A 264
 None
None
GOL  A 305 ( 2.9A)
None
 1.09A 5x1fA-5v1mA:
undetectable
5x1fJ-5v1mA:
undetectable		 5x1fA-5v1mA:
16.50
5x1fJ-5v1mA:
14.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ver KYNURENINE--OXOGLUTA
RATE TRANSAMINASE 3

(Mus musculus) 		no annotation 4 LEU A 358
MET A 402
THR A 403
LEU A 408
 None
 1.05A 5x1fA-5verA:
undetectable
5x1fJ-5verA:
undetectable		 5x1fA-5verA:
23.16
5x1fJ-5verA:
10.66
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.
5vlp FAB7G7 HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 LEU H  37
MET H  81
THR H  69
LEU H  70
 None
 1.09A 5x1fA-5vlpH:
undetectable
5x1fJ-5vlpH:
undetectable		 5x1fA-5vlpH:
18.70
5x1fJ-5vlpH:
15.62
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.
5wlh LBACAS13A H328A
(C2C2)

(Lachnospiraceae
bacterium
NK4A179) 		no annotation 4 LEU A 460
ARG A1128
MET A1131
LEU A1135
 None
A  B  -3 ( 2.5A)
None
None
 1.05A 5x1fA-5wlhA:
undetectable
5x1fJ-5wlhA:
undetectable		 5x1fA-5wlhA:
15.64
5x1fJ-5wlhA:
4.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x41 COBALT TRANSPORT
PROTEIN CBIM

(Rhodobacter
capsulatus) 		no annotation 4 LEU M 176
TYR M 153
THR M 155
LEU M 158
 None
 0.88A 5x1fA-5x41M:
undetectable
5x1fJ-5x41M:
undetectable		 5x1fA-5x41M:
19.61
5x1fJ-5x41M:
13.49
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.
5xfa NAD-REDUCING
HYDROGENASE

(Hydrogenophilus
thermoluteolus) 		PF01257
(2Fe-2S_thioredx)
PF01512
(Complex1_51K)
PF10589
(NADH_4Fe-4S) 		4 LEU A 538
ARG A 511
THR A 505
LEU A 550
 None
 1.06A 5x1fA-5xfaA:
undetectable
5x1fJ-5xfaA:
undetectable		 5x1fA-5xfaA:
22.80
5x1fJ-5xfaA:
6.90
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.
5xk8 UNDECAPRENYL
DIPHOSPHATE SYNTHASE

(Streptomyces
sp. CNH189) 		no annotation 4 TYR A  26
MET A  29
THR A  30
LEU A  33
 None
 1.00A 5x1fA-5xk8A:
undetectable
5x1fJ-5xk8A:
undetectable		 5x1fA-5xk8A:
undetectable
5x1fJ-5xk8A:
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.
5xpg UNCHARACTERIZED
PROTEIN

(Thermus
thermophilus) 		no annotation 4 LEU A 117
ARG A 299
THR A 305
LEU A  16
 None
 1.05A 5x1fA-5xpgA:
undetectable
5x1fJ-5xpgA:
undetectable		 5x1fA-5xpgA:
undetectable
5x1fJ-5xpgA:
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.
6brs PUTATIVE ZINC
PROTEASE

(Pectobacterium
atrosepticum) 		no annotation 4 LEU A 141
ARG A  88
THR A  99
LEU A 101
 None
 1.08A 5x1fA-6brsA:
undetectable
5x1fJ-6brsA:
undetectable		 5x1fA-6brsA:
undetectable
5x1fJ-6brsA:
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.
6c96 TWO PORE CALCIUM
CHANNEL PROTEIN 1

(Mus musculus) 		no annotation 4 LEU A 721
TYR A 361
THR A 383
LEU A 382
 None
 0.91A 5x1fA-6c96A:
2.0
5x1fJ-6c96A:
undetectable		 5x1fA-6c96A:
undetectable
5x1fJ-6c96A:
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.
6co9 PROBABLE
COA-TRANSFERASE
ALPHA SUBUNIT

(Rhodococcus
jostii) 		no annotation 4 LEU A 172
ARG A 227
THR A 211
LEU A 214
 None
 0.96A 5x1fA-6co9A:
undetectable
5x1fJ-6co9A:
undetectable		 5x1fA-6co9A:
undetectable
5x1fJ-6co9A:
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.
6con COA-TRANSFERASE
SUBUNIT ALPHA

(Mycobacterium
tuberculosis) 		no annotation 4 LEU A 169
ARG A 224
THR A 208
LEU A 211
 None
 1.02A 5x1fA-6conA:
undetectable
5x1fJ-6conA:
undetectable		 5x1fA-6conA:
undetectable
5x1fJ-6conA:
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.
6fi2 VEXL

(Achromobacter
denitrificans) 		no annotation 4 LEU A 137
ARG A 103
THR A 100
LEU A  98
 None
 1.01A 5x1fA-6fi2A:
undetectable
5x1fJ-6fi2A:
undetectable		 5x1fA-6fi2A:
undetectable
5x1fJ-6fi2A:
undetectable