SIMILAR PATTERNS OF AMINO ACIDS FOR 5HRQ_I_IPHI101

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.
1gy8 UDP-GALACTOSE
4-EPIMERASE

(Trypanosoma
brucei) 		PF01370
(Epimerase) 		4 VAL A  31
LEU A   4
CYH A  99
LEU A 125
 None
None
NAD  A1382 (-4.5A)
None
 1.19A 5hrqB-1gy8A:
undetectable
5hrqI-1gy8A:
undetectable
5hrqJ-1gy8A:
undetectable		 5hrqB-1gy8A:
6.32
5hrqI-1gy8A:
4.22
5hrqJ-1gy8A:
6.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hfe PROTEIN (FE-ONLY
HYDROGENASE
(E.C.1.18.99.1)
(LARGER SUBUNIT))

(Desulfovibrio
vulgaris) 		PF02906
(Fe_hyd_lg_C)
PF13237
(Fer4_10) 		4 VAL L 229
LEU L 258
CYH L 102
LEU L  95
 None
 1.22A 5hrqB-1hfeL:
undetectable
5hrqI-1hfeL:
undetectable
5hrqJ-1hfeL:
undetectable		 5hrqB-1hfeL:
6.08
5hrqI-1hfeL:
3.82
5hrqJ-1hfeL:
6.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hlg LIPASE, GASTRIC

(Homo sapiens) 		PF00561
(Abhydrolase_1) 		4 VAL A 318
HIS A 345
LEU A 342
LEU A 335
 None
 1.12A 5hrqB-1hlgA:
undetectable
5hrqI-1hlgA:
undetectable
5hrqJ-1hlgA:
undetectable		 5hrqB-1hlgA:
4.85
5hrqI-1hlgA:
4.21
5hrqJ-1hlgA:
4.85
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.
1k8q TRIACYLGLYCEROL
LIPASE, GASTRIC

(Canis lupus) 		PF00561
(Abhydrolase_1) 		4 VAL A 318
HIS A 345
LEU A 342
LEU A 335
 None
 1.18A 5hrqB-1k8qA:
undetectable
5hrqI-1k8qA:
undetectable
5hrqJ-1k8qA:
undetectable		 5hrqB-1k8qA:
6.13
5hrqI-1k8qA:
5.60
5hrqJ-1k8qA:
6.13
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.
1lxy ARGININE DEIMINASE

(Mycoplasma
arginini) 		PF02274
(Amidinotransf) 		4 VAL A 190
HIS A 194
LEU A 197
LEU A 403
 None
 1.23A 5hrqB-1lxyA:
undetectable
5hrqI-1lxyA:
undetectable
5hrqJ-1lxyA:
undetectable		 5hrqB-1lxyA:
5.99
5hrqI-1lxyA:
4.36
5hrqJ-1lxyA:
5.99
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.
1nxz HYPOTHETICAL PROTEIN
HI0303

(Haemophilus
influenzae) 		PF04452
(Methyltrans_RNA) 		4 HIS A  81
LEU A  82
CYH A 160
LEU A 110
 None
 1.23A 5hrqB-1nxzA:
undetectable
5hrqI-1nxzA:
undetectable
5hrqJ-1nxzA:
undetectable		 5hrqB-1nxzA:
9.44
5hrqI-1nxzA:
5.86
5hrqJ-1nxzA:
9.44
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.
1oe5 SINGLE-STRAND
SELECTIVE
MONOFUNCTIONAL
URACIL DNA
GLYCOSYLASE

(Xenopus laevis) 		no annotation 4 HIS A 175
LEU A  93
CYH A 210
LEU A 236
 None
 1.03A 5hrqB-1oe5A:
undetectable
5hrqI-1oe5A:
undetectable
5hrqJ-1oe5A:
undetectable		 5hrqB-1oe5A:
9.21
5hrqI-1oe5A:
9.46
5hrqJ-1oe5A:
9.21
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.
1p32 MITOCHONDRIAL MATRIX
PROTEIN, SF2P32

(Homo sapiens) 		PF02330
(MAM33) 		4 VAL A 209
LEU A 182
CYH A 186
LEU A 243
 None
 1.25A 5hrqB-1p32A:
undetectable
5hrqI-1p32A:
undetectable
5hrqJ-1p32A:
undetectable		 5hrqB-1p32A:
14.29
5hrqI-1p32A:
6.83
5hrqJ-1p32A:
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.
1tht THIOESTERASE

(Vibrio harveyi) 		PF02273
(Acyl_transf_2) 		4 VAL A  22
HIS A  10
LEU A  12
LEU A 100
 None
 0.82A 5hrqB-1thtA:
undetectable
5hrqI-1thtA:
undetectable
5hrqJ-1thtA:
undetectable		 5hrqB-1thtA:
7.97
5hrqI-1thtA:
5.26
5hrqJ-1thtA:
7.97
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.
1vq7 50S RIBOSOMAL
PROTEIN L30P

(Haloarcula
marismortui) 		PF00327
(Ribosomal_L30) 		4 VAL W  65
LEU W  66
CYH W  32
LEU W  34
 None
 1.25A 5hrqB-1vq7W:
undetectable
5hrqI-1vq7W:
undetectable
5hrqJ-1vq7W:
undetectable		 5hrqB-1vq7W:
11.89
5hrqI-1vq7W:
7.86
5hrqJ-1vq7W:
11.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wmu HEMOGLOBIN A AND D
BETA CHAIN

(Aldabrachelys
gigantea) 		PF00042
(Globin) 		4 VAL B 113
HIS B 117
LEU B 114
LEU B  68
 None
 1.13A 5hrqB-1wmuB:
undetectable
5hrqI-1wmuB:
undetectable
5hrqJ-1wmuB:
undetectable		 5hrqB-1wmuB:
13.01
5hrqI-1wmuB:
8.76
5hrqJ-1wmuB:
13.01
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.
2a2d N-ACETYLGALACTOSAMIN
E KINASE

(Homo sapiens) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg) 		4 VAL A 412
LEU A 417
CYH A 389
LEU A 443
 None
 1.11A 5hrqB-2a2dA:
undetectable
5hrqI-2a2dA:
undetectable
5hrqJ-2a2dA:
undetectable		 5hrqB-2a2dA:
5.29
5hrqI-2a2dA:
4.75
5hrqJ-2a2dA:
5.29
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.
2avd CATECHOL-O-METHYLTRA
NSFERASE

(Homo sapiens) 		PF01596
(Methyltransf_3) 		4 VAL A 184
LEU A 208
CYH A 191
LEU A 235
 None
 1.17A 5hrqB-2avdA:
undetectable
5hrqI-2avdA:
undetectable
5hrqJ-2avdA:
undetectable		 5hrqB-2avdA:
8.48
5hrqI-2avdA:
7.46
5hrqJ-2avdA:
8.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		4 VAL A 151
LEU A 139
CYH A 153
LEU A 132
 None
 1.25A 5hrqB-2h2qA:
undetectable
5hrqI-2h2qA:
undetectable
5hrqJ-2h2qA:
undetectable		 5hrqB-2h2qA:
6.13
5hrqI-2h2qA:
4.08
5hrqJ-2h2qA:
6.13
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.
2j8x URACIL-DNA
GLYCOSYLASE

(Human
gammaherpesvirus
4) 		PF03167
(UDG) 		4 VAL A 174
HIS A 173
LEU A  38
LEU A  48
 None
 1.21A 5hrqB-2j8xA:
undetectable
5hrqI-2j8xA:
undetectable
5hrqJ-2j8xA:
undetectable		 5hrqB-2j8xA:
7.17
5hrqI-2j8xA:
6.45
5hrqJ-2j8xA:
7.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jbw 2,6-DIHYDROXY-PSEUDO
-OXYNICOTINE
HYDROLASE

(Paenarthrobacter
nicotinovorans) 		PF06500
(DUF1100) 		4 VAL A 127
HIS A 116
LEU A 118
LEU A 200
 None
 1.08A 5hrqB-2jbwA:
undetectable
5hrqI-2jbwA:
undetectable
5hrqJ-2jbwA:
undetectable		 5hrqB-2jbwA:
7.81
5hrqI-2jbwA:
4.85
5hrqJ-2jbwA:
7.81
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.
2kkn UNCHARACTERIZED
PROTEIN

(Thermotoga
maritima) 		PF12850
(Metallophos_2) 		4 VAL A  67
HIS A  70
LEU A  71
LEU A  48
 None
 0.92A 5hrqB-2kknA:
undetectable
5hrqI-2kknA:
undetectable
5hrqJ-2kknA:
undetectable		 5hrqB-2kknA:
9.94
5hrqI-2kknA:
5.65
5hrqJ-2kknA:
9.94
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.
2l10 TALIN-1

(Mus musculus) 		PF08913
(VBS) 		4 VAL A1301
LEU A1305
CYH A1353
LEU A1242
 None
 1.18A 5hrqB-2l10A:
undetectable
5hrqI-2l10A:
undetectable
5hrqJ-2l10A:
undetectable		 5hrqB-2l10A:
15.70
5hrqI-2l10A:
7.74
5hrqJ-2l10A:
15.70
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.
2lm0 AF4/FMR2 FAMILY
MEMBER 1/PROTEIN
AF-9 CHIMERA

(Homo sapiens) 		PF05110
(AF-4) 		4 VAL A 763
HIS A1511
LEU A1514
LEU A1558
 None
 1.21A 5hrqB-2lm0A:
undetectable
5hrqI-2lm0A:
undetectable
5hrqJ-2lm0A:
undetectable		 5hrqB-2lm0A:
14.55
5hrqI-2lm0A:
14.46
5hrqJ-2lm0A:
14.55
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.
2nxg 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE

(Aquifex
aeolicus) 		PF00793
(DAHP_synth_1) 		4 VAL A1123
LEU A1151
CYH A1105
LEU A1129
 None
 1.24A 5hrqB-2nxgA:
undetectable
5hrqI-2nxgA:
undetectable
5hrqJ-2nxgA:
undetectable		 5hrqB-2nxgA:
8.37
5hrqI-2nxgA:
4.72
5hrqJ-2nxgA:
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.
2pft EXOCYTOSIS PROTEIN

(Mus musculus) 		PF03081
(Exo70) 		4 HIS A 356
LEU A 357
CYH A 285
LEU A 324
 None
 1.20A 5hrqB-2pftA:
undetectable
5hrqI-2pftA:
undetectable
5hrqJ-2pftA:
undetectable		 5hrqB-2pftA:
4.38
5hrqI-2pftA:
3.29
5hrqJ-2pftA:
4.38
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.
2py6 METHYLTRANSFERASE
FKBM

(Methylobacillus
flagellatus) 		PF05050
(Methyltransf_21) 		4 VAL A 192
HIS A 196
LEU A 193
LEU A 375
 None
EDO  A 410 (-3.5A)
None
None
 1.15A 5hrqB-2py6A:
undetectable
5hrqI-2py6A:
undetectable
5hrqJ-2py6A:
undetectable		 5hrqB-2py6A:
5.94
5hrqI-2py6A:
3.42
5hrqJ-2py6A:
5.94
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.
2quq CENTROMERE
DNA-BINDING PROTEIN
COMPLEX CBF3 SUBUNIT
B

(Saccharomyces
cerevisiae) 		PF16846
(Cep3) 		4 HIS A 313
LEU A 312
CYH A 299
LEU A 257
 None
 1.20A 5hrqB-2quqA:
undetectable
5hrqI-2quqA:
undetectable
5hrqJ-2quqA:
undetectable		 5hrqB-2quqA:
7.14
5hrqI-2quqA:
5.61
5hrqJ-2quqA:
7.14
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.
2qza SECRETED EFFECTOR
PROTEIN

(Salmonella
enterica) 		PF13599
(Pentapeptide_4)
PF13979
(SopA_C)
PF13981
(SopA) 		4 VAL A 395
LEU A 399
CYH A 391
LEU A 387
 None
 1.22A 5hrqB-2qzaA:
undetectable
5hrqI-2qzaA:
undetectable
5hrqJ-2qzaA:
undetectable		 5hrqB-2qzaA:
4.91
5hrqI-2qzaA:
3.38
5hrqJ-2qzaA:
4.91
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.
2r9y ALPHA-2-ANTIPLASMIN

(Mus musculus) 		PF00079
(Serpin) 		4 VAL A 108
HIS A 110
LEU A 109
LEU A  66
 None
 1.23A 5hrqB-2r9yA:
undetectable
5hrqI-2r9yA:
undetectable
5hrqJ-2r9yA:
undetectable		 5hrqB-2r9yA:
5.51
5hrqI-2r9yA:
10.83
5hrqJ-2r9yA:
5.51
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.
2wul GLUTAREDOXIN RELATED
PROTEIN 5

(Homo sapiens) 		PF00462
(Glutaredoxin) 		4 VAL A  82
HIS A  80
LEU A 138
LEU A 125
 None
 1.25A 5hrqB-2wulA:
undetectable
5hrqI-2wulA:
undetectable
5hrqJ-2wulA:
undetectable		 5hrqB-2wulA:
13.89
5hrqI-2wulA:
16.67
5hrqJ-2wulA:
13.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x4g NUCLEOSIDE-DIPHOSPHA
TE-SUGAR EPIMERASE

(Pseudomonas
aeruginosa) 		PF01370
(Epimerase) 		4 VAL A 215
HIS A 243
LEU A 245
LEU A 326
 None
 1.07A 5hrqB-2x4gA:
undetectable
5hrqI-2x4gA:
undetectable
5hrqJ-2x4gA:
undetectable		 5hrqB-2x4gA:
5.83
5hrqI-2x4gA:
4.40
5hrqJ-2x4gA:
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.
2xwu IMPORTIN13

(Homo sapiens) 		PF03810
(IBN_N)
PF08389
(Xpo1) 		4 VAL B 548
LEU B 538
CYH B 587
LEU B 577
 None
 1.04A 5hrqB-2xwuB:
undetectable
5hrqI-2xwuB:
undetectable
5hrqJ-2xwuB:
undetectable		 5hrqB-2xwuB:
2.65
5hrqI-2xwuB:
3.04
5hrqJ-2xwuB:
2.65
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.
2y3c TREPONEMA DENTICOLA
VARIABLE PROTEIN 1

(Treponema
denticola) 		PF03781
(FGE-sulfatase) 		4 VAL A 110
LEU A 106
CYH A 145
LEU A 325
 None
 1.20A 5hrqB-2y3cA:
undetectable
5hrqI-2y3cA:
undetectable
5hrqJ-2y3cA:
undetectable		 5hrqB-2y3cA:
7.17
5hrqI-2y3cA:
5.80
5hrqJ-2y3cA:
7.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bl9 SCAVENGER
MRNA-DECAPPING
ENZYME DCPS

(Homo sapiens) 		PF05652
(DcpS)
PF11969
(DcpS_C) 		4 VAL A 278
LEU A 298
CYH A 222
LEU A 240
 None
 0.99A 5hrqB-3bl9A:
undetectable
5hrqI-3bl9A:
undetectable
5hrqJ-3bl9A:
undetectable		 5hrqB-3bl9A:
9.24
5hrqI-3bl9A:
8.59
5hrqJ-3bl9A:
9.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bz5 INTERNALIN-J

(Listeria
monocytogenes) 		PF12799
(LRR_4) 		4 VAL A 280
LEU A 304
CYH A 291
LEU A 310
 None
 1.26A 5hrqB-3bz5A:
undetectable
5hrqI-3bz5A:
undetectable
5hrqJ-3bz5A:
undetectable		 5hrqB-3bz5A:
4.92
5hrqI-3bz5A:
5.61
5hrqJ-3bz5A:
4.92
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.
3c6g CYTOCHROME P450 2R1

(Homo sapiens) 		PF00067
(p450) 		4 VAL A 407
HIS A 408
LEU A 404
LEU A 443
 None
 1.17A 5hrqB-3c6gA:
undetectable
5hrqI-3c6gA:
undetectable
5hrqJ-3c6gA:
undetectable		 5hrqB-3c6gA:
5.83
5hrqI-3c6gA:
5.84
5hrqJ-3c6gA:
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.
3cy5 HEMOGLOBIN SUBUNIT
BETA

(Bubalus bubalis) 		PF00042
(Globin) 		4 VAL B 113
HIS B 117
LEU B 114
LEU B  68
 None
 1.21A 5hrqB-3cy5B:
undetectable
5hrqI-3cy5B:
undetectable
5hrqJ-3cy5B:
undetectable		 5hrqB-3cy5B:
13.33
5hrqI-3cy5B:
5.65
5hrqJ-3cy5B:
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.
3d6w METHYL-ACCEPTING/DNA
RESPONSE REGULATOR

(Bacillus cereus) 		PF04397
(LytTR) 		4 VAL A 110
HIS A 147
LEU A 112
LEU A 129
 None
 1.08A 5hrqB-3d6wA:
undetectable
5hrqI-3d6wA:
undetectable
5hrqJ-3d6wA:
undetectable		 5hrqB-3d6wA:
17.98
5hrqI-3d6wA:
13.48
5hrqJ-3d6wA:
17.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fhc ATP-DEPENDENT RNA
HELICASE DDX19B

(Homo sapiens) 		PF00270
(DEAD) 		4 VAL B 149
LEU B 153
CYH B 167
LEU B 194
 None
 1.14A 5hrqB-3fhcB:
undetectable
5hrqI-3fhcB:
undetectable
5hrqJ-3fhcB:
undetectable		 5hrqB-3fhcB:
19.42
5hrqI-3fhcB:
8.51
5hrqJ-3fhcB:
19.42
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.
3fht ATP-DEPENDENT RNA
HELICASE DDX19B

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		4 VAL A 149
LEU A 153
CYH A 167
LEU A 194
 None
 1.17A 5hrqB-3fhtA:
undetectable
5hrqI-3fhtA:
undetectable
5hrqJ-3fhtA:
undetectable		 5hrqB-3fhtA:
10.10
5hrqI-3fhtA:
5.35
5hrqJ-3fhtA:
10.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g05 TRNA URIDINE
5-CARBOXYMETHYLAMINO
METHYL MODIFICATION
ENZYME MNMG

(Escherichia
coli) 		PF01134
(GIDA)
PF13932
(GIDA_assoc) 		4 VAL A 495
HIS A 498
LEU A 499
LEU A 523
 None
 1.04A 5hrqB-3g05A:
undetectable
5hrqI-3g05A:
undetectable
5hrqJ-3g05A:
undetectable		 5hrqB-3g05A:
3.45
5hrqI-3g05A:
2.96
5hrqJ-3g05A:
3.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hmj FATTY ACID SYNTHASE
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00109
(ketoacyl-synt)
PF01648
(ACPS)
PF02801
(Ketoacyl-synt_C) 		4 VAL A 153
HIS A 157
LEU A 154
LEU A 229
 None
 0.98A 5hrqB-3hmjA:
undetectable
5hrqI-3hmjA:
undetectable
5hrqJ-3hmjA:
undetectable		 5hrqB-3hmjA:
1.80
5hrqI-3hmjA:
1.88
5hrqJ-3hmjA:
1.80
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.
3hpf MUCONATE
CYCLOISOMERASE

(Oceanobacillus
iheyensis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 VAL A 116
LEU A 120
CYH A 108
LEU A  72
 None
 1.25A 5hrqB-3hpfA:
undetectable
5hrqI-3hpfA:
undetectable
5hrqJ-3hpfA:
undetectable		 5hrqB-3hpfA:
6.43
5hrqI-3hpfA:
4.98
5hrqJ-3hpfA:
6.43
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.
3hpf MUCONATE
CYCLOISOMERASE

(Oceanobacillus
iheyensis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 VAL A 116
LEU A 120
CYH A 108
LEU A  72
 None
 1.25A 5hrqB-3hpfA:
undetectable
5hrqI-3hpfA:
undetectable
5hrqJ-3hpfA:
undetectable		 5hrqB-3hpfA:
6.43
5hrqI-3hpfA:
4.98
5hrqJ-3hpfA:
6.43
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.
3hrl ENDONUCLEASE-LIKE
PROTEIN

(Neisseria
gonorrhoeae) 		PF04480
(DUF559) 		4 VAL A  69
LEU A  98
CYH A  62
LEU A 120
 None
 1.13A 5hrqB-3hrlA:
undetectable
5hrqI-3hrlA:
undetectable
5hrqJ-3hrlA:
undetectable		 5hrqB-3hrlA:
12.50
5hrqI-3hrlA:
12.64
5hrqJ-3hrlA:
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.
3ie1 RIBONUCLEASE
TTHA0252

(Thermus
thermophilus) 		PF00753
(Lactamase_B)
PF07521
(RMMBL)
PF10996
(Beta-Casp) 		4 VAL A 337
HIS A 372
LEU A 374
LEU A 208
 None
 1.18A 5hrqB-3ie1A:
undetectable
5hrqI-3ie1A:
undetectable
5hrqJ-3ie1A:
undetectable		 5hrqB-3ie1A:
4.69
5hrqI-3ie1A:
2.59
5hrqJ-3ie1A:
4.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k1r HARMONIN
USHER SYNDROME
TYPE-1G PROTEIN

(Homo sapiens;
Homo sapiens) 		PF00595
(PDZ)
PF00536
(SAM_1) 		4 VAL A 150
HIS A 147
LEU A 112
LEU B 461
 None
 1.24A 5hrqB-3k1rA:
undetectable
5hrqI-3k1rA:
undetectable
5hrqJ-3k1rA:
undetectable		 5hrqB-3k1rA:
12.58
5hrqI-3k1rA:
10.84
5hrqJ-3k1rA:
12.58
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.
3k5z FEM-3 MRNA-BINDING
FACTOR 2

(Caenorhabditis
elegans) 		PF00806
(PUF) 		4 VAL A 211
LEU A 185
CYH A 204
LEU A 194
 None
None
A  B   9 ( 4.1A)
None
 1.23A 5hrqB-3k5zA:
undetectable
5hrqI-3k5zA:
undetectable
5hrqJ-3k5zA:
undetectable		 5hrqB-3k5zA:
6.30
5hrqI-3k5zA:
6.07
5hrqJ-3k5zA:
6.30
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.
3ke6 PROTEIN
RV1364C/MT1410

(Mycobacterium
tuberculosis) 		PF07228
(SpoIIE)
PF13581
(HATPase_c_2) 		4 VAL A 474
HIS A 523
LEU A 525
LEU A 425
 None
 1.09A 5hrqB-3ke6A:
undetectable
5hrqI-3ke6A:
undetectable
5hrqJ-3ke6A:
undetectable		 5hrqB-3ke6A:
5.84
5hrqI-3ke6A:
6.15
5hrqJ-3ke6A:
5.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mzn GLUCARATE
DEHYDRATASE

(Chromohalobacter
salexigens) 		PF13378
(MR_MLE_C) 		4 VAL A  13
HIS A 406
LEU A 402
CYH A  34
 None
 1.13A 5hrqB-3mznA:
undetectable
5hrqI-3mznA:
undetectable
5hrqJ-3mznA:
undetectable		 5hrqB-3mznA:
6.43
5hrqI-3mznA:
5.88
5hrqJ-3mznA:
6.43
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.
3nwi ZINC TRANSPORT
PROTEIN ZNTB

(Salmonella
enterica) 		PF01544
(CorA) 		4 VAL A 126
LEU A 129
CYH A  94
LEU A 156
 None
None
ZN  A 265 (-2.5A)
None
 1.21A 5hrqB-3nwiA:
undetectable
5hrqI-3nwiA:
undetectable
5hrqJ-3nwiA:
undetectable		 5hrqB-3nwiA:
8.03
5hrqI-3nwiA:
7.66
5hrqJ-3nwiA:
8.03
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.
3nyf D-ARGININE
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF01266
(DAO) 		4 VAL A1125
LEU A1128
CYH A1235
LEU A1292
 None
 1.24A 5hrqB-3nyfA:
undetectable
5hrqI-3nyfA:
undetectable
5hrqJ-3nyfA:
undetectable		 5hrqB-3nyfA:
8.18
5hrqI-3nyfA:
5.48
5hrqJ-3nyfA:
8.18
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.
3nzt GLUTAMATE--CYSTEINE
LIGASE

(Francisella
tularensis) 		PF04262
(Glu_cys_ligase) 		4 VAL A  20
LEU A  88
CYH A  23
LEU A 441
 None
None
SO4  A 509 (-3.2A)
None
 1.22A 5hrqB-3nztA:
undetectable
5hrqI-3nztA:
undetectable
5hrqJ-3nztA:
undetectable		 5hrqB-3nztA:
5.15
5hrqI-3nztA:
3.06
5hrqJ-3nztA:
5.15
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.
3pbk FATTY ACYL-ADENYLATE
LIGASE

(Escherichia
coli) 		PF00501
(AMP-binding) 		4 VAL A 288
LEU A 293
CYH A 284
LEU A 263
 None
 1.16A 5hrqB-3pbkA:
undetectable
5hrqI-3pbkA:
undetectable
5hrqJ-3pbkA:
undetectable		 5hrqB-3pbkA:
9.35
5hrqI-3pbkA:
4.18
5hrqJ-3pbkA:
9.35
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.
3pfe SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE

(Legionella
pneumophila) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 VAL A 463
LEU A 389
CYH A 459
LEU A 199
 None
 1.16A 5hrqB-3pfeA:
undetectable
5hrqI-3pfeA:
undetectable
5hrqJ-3pfeA:
undetectable		 5hrqB-3pfeA:
4.47
5hrqI-3pfeA:
4.97
5hrqJ-3pfeA:
4.47
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.
3q06 CELLULAR TUMOR
ANTIGEN P53

(Homo sapiens) 		PF00870
(P53)
PF07710
(P53_tetramer) 		4 VAL A 274
CYH A 238
CYH A 242
LEU A 194
 None
ZN  A   1 (-2.4A)
ZN  A   1 (-2.3A)
None
 1.09A 5hrqB-3q06A:
undetectable
5hrqI-3q06A:
undetectable
5hrqJ-3q06A:
undetectable		 5hrqB-3q06A:
10.55
5hrqI-3q06A:
6.10
5hrqJ-3q06A:
10.55
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.
3qd7 UNCHARACTERIZED
PROTEIN YDAL

(Escherichia
coli) 		PF01713
(Smr) 		4 VAL X 117
LEU X 168
CYH X 164
LEU X 142
 None
 0.91A 5hrqB-3qd7X:
undetectable
5hrqI-3qd7X:
undetectable
5hrqJ-3qd7X:
undetectable		 5hrqB-3qd7X:
22.06
5hrqI-3qd7X:
10.68
5hrqJ-3qd7X:
22.06
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.
3qd7 UNCHARACTERIZED
PROTEIN YDAL

(Escherichia
coli) 		PF01713
(Smr) 		4 VAL X 138
LEU X 142
CYH X  98
LEU X  88
 None
 1.09A 5hrqB-3qd7X:
undetectable
5hrqI-3qd7X:
undetectable
5hrqJ-3qd7X:
undetectable		 5hrqB-3qd7X:
22.06
5hrqI-3qd7X:
10.68
5hrqJ-3qd7X:
22.06
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.
3qnw CASPASE-6
CASPASE-6

(Homo sapiens;
Homo sapiens) 		PF00656
(Peptidase_C14)
PF00656
(Peptidase_C14) 		4 VAL A 117
LEU A 119
CYH B 209
LEU B 232
 None
 1.10A 5hrqB-3qnwA:
undetectable
5hrqI-3qnwA:
undetectable
5hrqJ-3qnwA:
undetectable		 5hrqB-3qnwA:
14.29
5hrqI-3qnwA:
9.84
5hrqJ-3qnwA:
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		4 VAL A 157
LEU A 145
CYH A 159
LEU A 138
 None
 1.24A 5hrqB-3rg9A:
undetectable
5hrqI-3rg9A:
undetectable
5hrqJ-3rg9A:
undetectable		 5hrqB-3rg9A:
8.02
5hrqI-3rg9A:
7.46
5hrqJ-3rg9A:
8.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tsr RIBONUCLEASE
INHIBITOR

(Mus musculus) 		PF13516
(LRR_6) 		4 VAL E 160
LEU E 161
CYH E 137
LEU E 142
 None
 1.05A 5hrqB-3tsrE:
undetectable
5hrqI-3tsrE:
undetectable
5hrqJ-3tsrE:
undetectable		 5hrqB-3tsrE:
5.74
5hrqI-3tsrE:
9.57
5hrqJ-3tsrE:
5.74
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.
3uar GLUTATHIONE
S-TRANSFERASE

(Methylococcus
capsulatus) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 VAL A 162
LEU A 159
CYH A 166
LEU A 133
 None
 1.25A 5hrqB-3uarA:
undetectable
5hrqI-3uarA:
undetectable
5hrqJ-3uarA:
undetectable		 5hrqB-3uarA:
11.04
5hrqI-3uarA:
6.88
5hrqJ-3uarA:
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.
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 HIS A2270
LEU A2387
CYH A2411
LEU A2367
 None
 1.06A 5hrqB-3vkgA:
undetectable
5hrqI-3vkgA:
undetectable
5hrqJ-3vkgA:
undetectable		 5hrqB-3vkgA:
1.34
5hrqI-3vkgA:
0.68
5hrqJ-3vkgA:
1.34
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.
3w5n PUTATIVE
RHAMNOSIDASE

(Streptomyces
avermitilis) 		PF05592
(Bac_rhamnosid)
PF08531
(Bac_rhamnosid_N)
PF17389
(Bac_rhamnosid6H)
PF17390
(Bac_rhamnosid_C) 		4 VAL A 215
HIS A 216
LEU A 165
LEU A 222
 None
 1.14A 5hrqB-3w5nA:
undetectable
5hrqI-3w5nA:
undetectable
5hrqJ-3w5nA:
undetectable		 5hrqB-3w5nA:
2.88
5hrqI-3w5nA:
1.87
5hrqJ-3w5nA:
2.88
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.
3wgc L-ALLO-THREONINE
ALDOLASE

(Aeromonas
jandaei) 		PF01212
(Beta_elim_lyase) 		4 VAL A  68
HIS A 166
LEU A 134
LEU A  80
 None
 1.19A 5hrqB-3wgcA:
undetectable
5hrqI-3wgcA:
undetectable
5hrqJ-3wgcA:
undetectable		 5hrqB-3wgcA:
6.36
5hrqI-3wgcA:
10.34
5hrqJ-3wgcA:
6.36
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.
3wky PROPHENOLOXIDASE B

(Marsupenaeus
japonicus) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 VAL A 107
HIS A 106
LEU A  61
LEU A  53
 None
 0.95A 5hrqB-3wkyA:
undetectable
5hrqI-3wkyA:
undetectable
5hrqJ-3wkyA:
undetectable		 5hrqB-3wkyA:
6.13
5hrqI-3wkyA:
2.92
5hrqJ-3wkyA:
6.13
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.
3wu1 PROTEIN C-ETS-1

(Homo sapiens) 		PF00178
(Ets) 		4 VAL B 435
HIS B 430
LEU B 433
LEU B 345
 None
 1.26A 5hrqB-3wu1B:
undetectable
5hrqI-3wu1B:
undetectable
5hrqJ-3wu1B:
undetectable		 5hrqB-3wu1B:
14.02
5hrqI-3wu1B:
9.17
5hrqJ-3wu1B:
14.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4awm POLYMERASE PA

(Influenza A
virus) 		PF00603
(Flu_PA) 		4 HIS A 146
LEU A 163
CYH A  45
LEU A 109
 None
 1.17A 5hrqB-4awmA:
undetectable
5hrqI-4awmA:
undetectable
5hrqJ-4awmA:
undetectable		 5hrqB-4awmA:
11.39
5hrqI-4awmA:
11.63
5hrqJ-4awmA:
11.39
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.
4bbq LYSINE-SPECIFIC
DEMETHYLASE 2A

(Homo sapiens) 		PF02008
(zf-CXXC)
PF16866
(PHD_4) 		4 VAL A 649
LEU A 622
CYH A 672
CYH A 642
 None
None
ZN  A1680 (-2.3A)
ZN  A1680 (-2.2A)
 1.20A 5hrqB-4bbqA:
undetectable
5hrqI-4bbqA:
undetectable
5hrqJ-4bbqA:
undetectable		 5hrqB-4bbqA:
13.64
5hrqI-4bbqA:
22.45
5hrqJ-4bbqA:
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.
4bwp PAB-DEPENDENT
POLY(A)-SPECIFIC
RIBONUCLEASE SUBUNIT
PAN-3

(Drosophila
melanogaster) 		no annotation 4 VAL A 755
LEU A 757
CYH A 743
LEU A 723
 None
 1.17A 5hrqB-4bwpA:
undetectable
5hrqI-4bwpA:
undetectable
5hrqJ-4bwpA:
undetectable		 5hrqB-4bwpA:
5.96
5hrqI-4bwpA:
4.02
5hrqJ-4bwpA:
5.96
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.
4ce4 MRPL18

(Sus scrofa) 		PF00861
(Ribosomal_L18p) 		4 VAL S 170
LEU S 172
CYH S 136
LEU S  81
 None
 1.12A 5hrqB-4ce4S:
undetectable
5hrqI-4ce4S:
undetectable
5hrqJ-4ce4S:
undetectable		 5hrqB-4ce4S:
17.65
5hrqI-4ce4S:
9.60
5hrqJ-4ce4S:
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.
4d8o ANKYRIN-2

(Homo sapiens) 		PF00531
(Death)
PF00791
(ZU5) 		4 VAL A1350
HIS A1366
CYH A1352
LEU A1311
 None
 1.10A 5hrqB-4d8oA:
undetectable
5hrqI-4d8oA:
undetectable
5hrqJ-4d8oA:
undetectable		 5hrqB-4d8oA:
4.59
5hrqI-4d8oA:
3.99
5hrqJ-4d8oA:
4.59
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.
4g9i HYDROGENASE
MATURATION PROTEIN
HYPF

(Thermococcus
kodakarensis) 		PF00708
(Acylphosphatase)
PF00814
(Peptidase_M22)
PF01300
(Sua5_yciO_yrdC)
PF07503
(zf-HYPF) 		4 VAL A 573
LEU A 570
CYH A 577
LEU A 557
 None
 1.04A 5hrqB-4g9iA:
undetectable
5hrqI-4g9iA:
undetectable
5hrqJ-4g9iA:
undetectable		 5hrqB-4g9iA:
3.41
5hrqI-4g9iA:
2.35
5hrqJ-4g9iA:
3.41
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.
4gk8 HISTIDINOL-PHOSPHATA
SE

(Lactococcus
lactis) 		PF02811
(PHP) 		4 VAL A 143
LEU A 185
CYH A 139
LEU A 155
 None
 1.16A 5hrqB-4gk8A:
undetectable
5hrqI-4gk8A:
undetectable
5hrqJ-4gk8A:
undetectable		 5hrqB-4gk8A:
9.74
5hrqI-4gk8A:
9.86
5hrqJ-4gk8A:
9.74
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.
4h0o ACETATE KINASE

(Entamoeba
histolytica) 		PF00871
(Acetate_kinase) 		4 HIS A 172
CYH A 197
CYH A 206
LEU A 199
 None
 1.11A 5hrqB-4h0oA:
undetectable
5hrqI-4h0oA:
undetectable
5hrqJ-4h0oA:
undetectable		 5hrqB-4h0oA:
7.77
5hrqI-4h0oA:
3.98
5hrqJ-4h0oA:
7.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iss ALLOPHANATE
HYDROLASE

(Kluyveromyces
lactis) 		PF01425
(Amidase) 		4 VAL A 372
LEU A 255
CYH A 374
LEU A 282
 None
 0.94A 5hrqB-4issA:
undetectable
5hrqI-4issA:
undetectable
5hrqJ-4issA:
undetectable		 5hrqB-4issA:
8.26
5hrqI-4issA:
3.76
5hrqJ-4issA:
8.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lmo TELOMERASE REVERSE
TRANSCRIPTASE

(Takifugu
rubripes) 		PF12009
(Telomerase_RBD) 		4 VAL A 423
HIS A 373
CYH A 419
LEU A 506
 None
 1.16A 5hrqB-4lmoA:
undetectable
5hrqI-4lmoA:
undetectable
5hrqJ-4lmoA:
undetectable		 5hrqB-4lmoA:
13.64
5hrqI-4lmoA:
7.27
5hrqJ-4lmoA:
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.
4m46 LUCIFERASE

(Lampyris
turkestanicus) 		PF00501
(AMP-binding) 		4 VAL A 102
LEU A 194
CYH A  93
LEU A 253
 None
 1.10A 5hrqB-4m46A:
undetectable
5hrqI-4m46A:
undetectable
5hrqJ-4m46A:
undetectable		 5hrqB-4m46A:
7.34
5hrqI-4m46A:
4.00
5hrqJ-4m46A:
7.34
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.
4m5o POLYMERASE PA

(Influenza A
virus) 		PF00603
(Flu_PA) 		4 HIS A 146
LEU A 163
CYH A  45
LEU A 109
 None
 1.17A 5hrqB-4m5oA:
undetectable
5hrqI-4m5oA:
undetectable
5hrqJ-4m5oA:
undetectable		 5hrqB-4m5oA:
11.76
5hrqI-4m5oA:
9.62
5hrqJ-4m5oA:
11.76
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.
4mvf CALCIUM-DEPENDENT
PROTEIN KINASE 2

(Plasmodium
falciparum) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		4 HIS A 184
LEU A 183
CYH A 249
LEU A 193
 None
 1.23A 5hrqB-4mvfA:
undetectable
5hrqI-4mvfA:
undetectable
5hrqJ-4mvfA:
undetectable		 5hrqB-4mvfA:
4.61
5hrqI-4mvfA:
5.15
5hrqJ-4mvfA:
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.
4mwf FAB AR3C HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 VAL A  20
HIS A  79
CYH A  92
CYH A  22
LEU A  34
 None
 1.40A 5hrqB-4mwfA:
undetectable
5hrqI-4mwfA:
undetectable
5hrqJ-4mwfA:
undetectable		 5hrqB-4mwfA:
10.18
5hrqI-4mwfA:
6.60
5hrqJ-4mwfA:
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.
4o26 TELOMERASE REVERSE
TRANSCRIPTASE

(Oryzias latipes) 		PF12009
(Telomerase_RBD) 		4 VAL A 439
HIS A 389
CYH A 435
LEU A 523
 None
 1.03A 5hrqB-4o26A:
undetectable
5hrqI-4o26A:
undetectable
5hrqJ-4o26A:
undetectable		 5hrqB-4o26A:
8.27
5hrqI-4o26A:
5.65
5hrqJ-4o26A:
8.27
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.
4p0s CROSSOVER JUNCTION
ENDONUCLEASE MUS81

(Homo sapiens) 		PF02732
(ERCC4) 		4 VAL A 327
LEU A 361
CYH A 272
LEU A 303
 None
 1.09A 5hrqB-4p0sA:
undetectable
5hrqI-4p0sA:
undetectable
5hrqJ-4p0sA:
undetectable		 5hrqB-4p0sA:
7.19
5hrqI-4p0sA:
5.46
5hrqJ-4p0sA:
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.
4qdv M7GPPPX
DIPHOSPHATASE

(Homo sapiens) 		PF05652
(DcpS)
PF11969
(DcpS_C) 		4 VAL A 278
LEU A 298
CYH A 222
LEU A 240
 None
 0.96A 5hrqB-4qdvA:
undetectable
5hrqI-4qdvA:
undetectable
5hrqJ-4qdvA:
undetectable		 5hrqB-4qdvA:
9.24
5hrqI-4qdvA:
7.00
5hrqJ-4qdvA:
9.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rhe 3-OCTAPRENYL-4-HYDRO
XYBENZOATE
CARBOXY-LYASE

(Colwellia
psychrerythraea) 		PF02441
(Flavoprotein) 		4 VAL A 188
LEU A 192
CYH A 103
LEU A  11
 None
 1.11A 5hrqB-4rheA:
undetectable
5hrqI-4rheA:
undetectable
5hrqJ-4rheA:
undetectable		 5hrqB-4rheA:
11.63
5hrqI-4rheA:
7.18
5hrqJ-4rheA:
11.63
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.
4yj1 UNCHARACTERIZED
PROTEIN

(Trypanosoma
brucei) 		PF09818
(ABC_ATPase) 		4 VAL A 234
HIS A 231
LEU A 230
LEU A 115
 None
 1.17A 5hrqB-4yj1A:
undetectable
5hrqI-4yj1A:
undetectable
5hrqJ-4yj1A:
undetectable		 5hrqB-4yj1A:
5.27
5hrqI-4yj1A:
3.11
5hrqJ-4yj1A:
5.27
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.
5cb2 PROTEIN SEY1

(Candida
albicans) 		PF05879
(RHD3) 		4 VAL A 202
HIS A 250
LEU A 252
LEU A  78
 None
 1.00A 5hrqB-5cb2A:
undetectable
5hrqI-5cb2A:
undetectable
5hrqJ-5cb2A:
undetectable		 5hrqB-5cb2A:
4.46
5hrqI-5cb2A:
4.32
5hrqJ-5cb2A:
4.46
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.
5dj4 SESTRIN-2

(Homo sapiens) 		PF04636
(PA26) 		4 VAL A 199
HIS A 203
LEU A 200
LEU A  99
 None
 1.07A 5hrqB-5dj4A:
undetectable
5hrqI-5dj4A:
undetectable
5hrqJ-5dj4A:
undetectable		 5hrqB-5dj4A:
4.97
5hrqI-5dj4A:
4.35
5hrqJ-5dj4A:
4.97
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.
5do7 ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
8

(Homo sapiens) 		PF00005
(ABC_tran)
PF01061
(ABC2_membrane) 		4 VAL B 221
LEU B 157
CYH B 200
LEU B 213
 None
 1.20A 5hrqB-5do7B:
undetectable
5hrqI-5do7B:
undetectable
5hrqJ-5do7B:
undetectable		 5hrqB-5do7B:
4.21
5hrqI-5do7B:
3.56
5hrqJ-5do7B:
4.21
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.
5hh9 PVDN

(Pseudomonas
aeruginosa) 		PF00266
(Aminotran_5) 		4 VAL A 380
HIS A 383
LEU A 384
LEU A 426
 None
 1.24A 5hrqB-5hh9A:
undetectable
5hrqI-5hh9A:
undetectable
5hrqJ-5hh9A:
undetectable		 5hrqB-5hh9A:
6.43
5hrqI-5hh9A:
5.39
5hrqJ-5hh9A:
6.43
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.
5i8i UREA AMIDOLYASE

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF01425
(Amidase)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 VAL A 372
LEU A 255
CYH A 374
LEU A 282
 None
 0.96A 5hrqB-5i8iA:
undetectable
5hrqI-5i8iA:
undetectable
5hrqJ-5i8iA:
undetectable		 5hrqB-5i8iA:
2.21
5hrqI-5i8iA:
1.21
5hrqJ-5i8iA:
2.21
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.
5jhq TANKYRASE-1

(Homo sapiens) 		PF00023
(Ank)
PF12796
(Ank_2)
PF13606
(Ank_3) 		4 VAL A 231
HIS A 234
LEU A 235
LEU A 186
 None
 1.09A 5hrqB-5jhqA:
undetectable
5hrqI-5jhqA:
undetectable
5hrqJ-5jhqA:
undetectable		 5hrqB-5jhqA:
4.58
5hrqI-5jhqA:
4.12
5hrqJ-5jhqA:
4.58
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 SOPA

(Salmonella
enterica) 		PF13599
(Pentapeptide_4)
PF13981
(SopA) 		4 VAL A 395
LEU A 399
CYH A 391
LEU A 387
 None
 1.21A 5hrqB-5jw7A:
undetectable
5hrqI-5jw7A:
undetectable
5hrqJ-5jw7A:
undetectable		 5hrqB-5jw7A:
8.45
5hrqI-5jw7A:
4.49
5hrqJ-5jw7A:
8.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k2m PROBABLE LYSINE
BIOSYNTHESIS PROTEIN

(Thermococcus
kodakarensis) 		no annotation 4 VAL E   2
LEU E  39
CYH E   4
LEU E  31
 None
None
ZN  E 102 (-2.5A)
None
 0.90A 5hrqB-5k2mE:
undetectable
5hrqI-5k2mE:
undetectable
5hrqJ-5k2mE:
undetectable		 5hrqB-5k2mE:
30.00
5hrqI-5k2mE:
20.00
5hrqJ-5k2mE:
30.00
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.
5l3x NEGATIVE ELONGATION
FACTOR C/D

(Homo sapiens) 		PF04858
(TH1) 		4 VAL B 431
HIS B 451
CYH B 397
LEU B 414
 None
 1.18A 5hrqB-5l3xB:
undetectable
5hrqI-5l3xB:
undetectable
5hrqJ-5l3xB:
undetectable		 5hrqB-5l3xB:
6.79
5hrqI-5l3xB:
4.69
5hrqJ-5l3xB:
6.79
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.
5ls6 POLYCOMB PROTEIN
SUZ12

(Homo sapiens) 		PF09733
(VEFS-Box) 		4 VAL C 640
LEU C 681
CYH C 636
LEU C 660
 None
 1.21A 5hrqB-5ls6C:
undetectable
5hrqI-5ls6C:
undetectable
5hrqJ-5ls6C:
undetectable		 5hrqB-5ls6C:
10.57
5hrqI-5ls6C:
13.13
5hrqJ-5ls6C:
10.57
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.
5m3l EXTRACELLULAR
GLOBIN-3

(Lumbricus
terrestris) 		PF00042
(Globin) 		4 LEU C  95
CYH C 139
CYH C   7
LEU C  85
 None
 1.24A 5hrqB-5m3lC:
undetectable
5hrqI-5m3lC:
undetectable
5hrqJ-5m3lC:
undetectable		 5hrqB-5m3lC:
12.61
5hrqI-5m3lC:
8.55
5hrqJ-5m3lC:
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.
5nh0 REPLICASE
POLYPROTEIN 1AB

(Human
coronavirus
NL63) 		no annotation 4 VAL A  18
HIS A  69
LEU A  74
CYH A  16
 None
 1.08A 5hrqB-5nh0A:
undetectable
5hrqI-5nh0A:
undetectable
5hrqJ-5nh0A:
undetectable		 5hrqB-5nh0A:
undetectable
5hrqI-5nh0A:
undetectable
5hrqJ-5nh0A:
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.
5ugw TELOMERASE REVERSE
TRANSCRIPTASE

(Homo sapiens) 		no annotation 4 VAL A1070
LEU A1065
CYH A1043
LEU A 987
 None
 1.19A 5hrqB-5ugwA:
undetectable
5hrqI-5ugwA:
undetectable
5hrqJ-5ugwA:
undetectable		 5hrqB-5ugwA:
12.65
5hrqI-5ugwA:
8.86
5hrqJ-5ugwA:
12.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uqd DUMPY: SHORTER THAN
WILD-TYPE

(Caenorhabditis
elegans) 		no annotation 4 VAL A1539
HIS A1542
LEU A1543
LEU A1564
 None
 0.98A 5hrqB-5uqdA:
undetectable
5hrqI-5uqdA:
undetectable
5hrqJ-5uqdA:
undetectable		 5hrqB-5uqdA:
4.20
5hrqI-5uqdA:
7.53
5hrqJ-5uqdA:
4.20
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.
5w40 POPP2 PROTEIN

(Ralstonia
solanacearum) 		PF03421
(Acetyltransf_14) 		4 VAL A 356
HIS A 355
LEU A 376
LEU A 346
 None
 1.26A 5hrqB-5w40A:
undetectable
5hrqI-5w40A:
undetectable
5hrqJ-5w40A:
undetectable		 5hrqB-5w40A:
6.02
5hrqI-5w40A:
4.61
5hrqJ-5w40A:
6.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5z9a CHORISMATE SYNTHASE

(Pseudomonas
aeruginosa) 		no annotation 4 VAL A  27
LEU A  83
CYH A  30
LEU A  36
 None
 1.18A 5hrqB-5z9aA:
undetectable
5hrqI-5z9aA:
undetectable
5hrqJ-5z9aA:
undetectable		 5hrqB-5z9aA:
undetectable
5hrqI-5z9aA:
undetectable
5hrqJ-5z9aA:
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.
6asb F-BOX/LRR-REPEAT
PROTEIN 19

(Homo sapiens) 		no annotation 4 VAL C 121
LEU C  90
CYH C 145
CYH C 114
 None
None
ZN  C2004 (-2.3A)
ZN  C2004 (-2.3A)
 1.17A 5hrqB-6asbC:
undetectable
5hrqI-6asbC:
undetectable
5hrqJ-6asbC:
undetectable		 5hrqB-6asbC:
14.29
5hrqI-6asbC:
13.64
5hrqJ-6asbC:
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.
6ces RAS-RELATED
GTP-BINDING PROTEIN
C

(Homo sapiens) 		no annotation 4 VAL C 161
HIS C 158
LEU C 157
LEU C 203
 None
 1.12A 5hrqB-6cesC:
undetectable
5hrqI-6cesC:
undetectable
5hrqJ-6cesC:
undetectable		 5hrqB-6cesC:
undetectable
5hrqI-6cesC:
undetectable
5hrqJ-6cesC:
undetectable