SIMILAR PATTERNS OF AMINO ACIDS FOR 1RK3_A_VDXA500

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.
1bkd SON OF SEVENLESS-1

(Homo sapiens) 		PF00617
(RasGEF)
PF00618
(RasGEF_N) 		5 LEU S 872
SER S 876
VAL S 927
LEU S 795
HIS S 827
 None
 1.42A 1rk3A-1bkdS:
undetectable		 1rk3A-1bkdS:
21.02
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.
1fiu TYPE II RESTRICTION
ENZYME NGOMI

(Neisseria
gonorrhoeae) 		PF09015
(NgoMIV_restric) 		5 LEU A 205
VAL A 217
HIS A 215
LEU A 284
HIS A 181
 None
 1.46A 1rk3A-1fiuA:
0.0		 1rk3A-1fiuA:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ihp PHYTASE

(Aspergillus
ficuum) 		PF00328
(His_Phos_2) 		5 LEU A 113
SER A 116
SER A 382
VAL A 143
LEU A 187
 None
 1.11A 1rk3A-1ihpA:
0.0		 1rk3A-1ihpA:
19.08
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.
1n2o PANTOTHENATE
SYNTHETASE

(Mycobacterium
tuberculosis) 		PF02569
(Pantoate_ligase) 		5 LEU A  36
VAL A  37
SER A  65
VAL A 181
LEU A 165
 None
None
BAL  A 802 ( 4.9A)
None
None
 1.30A 1rk3A-1n2oA:
0.0		 1rk3A-1n2oA:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u2z HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC

(Saccharomyces
cerevisiae) 		PF08123
(DOT1) 		5 TYR A 372
LEU A 376
VAL A 541
SER A 542
VAL A 383
 None
 1.45A 1rk3A-1u2zA:
undetectable		 1rk3A-1u2zA:
22.70
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.
1ukw ACYL-COA
DEHYDROGENASE

(Thermus
thermophilus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 LEU A 388
SER A 188
SER A 237
VAL A 276
LEU A 269
 FAD  A 420 (-4.2A)
FAD  A 420 (-3.0A)
None
None
None
 1.33A 1rk3A-1ukwA:
0.4		 1rk3A-1ukwA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xdv SON OF SEVENLESS
PROTEIN HOMOLOG 1

(Homo sapiens) 		PF00169
(PH)
PF00617
(RasGEF)
PF00618
(RasGEF_N)
PF00621
(RhoGEF) 		5 LEU A 872
SER A 876
VAL A 927
LEU A 795
HIS A 827
 None
 1.42A 1rk3A-1xdvA:
1.2		 1rk3A-1xdvA:
16.53
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.
2dc0 PROBABLE AMIDASE

(Thermus
thermophilus) 		PF01425
(Amidase) 		5 LEU A 288
VAL A 289
SER A 200
SER A 389
VAL A 281
 None
 1.38A 1rk3A-2dc0A:
0.0		 1rk3A-2dc0A:
22.90
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.
2h21 RIBULOSE-1,5
BISPHOSPHATE
CARBOXYLASE/OXYGENAS
E

(Pisum sativum) 		PF00856
(SET)
PF09273
(Rubis-subs-bind) 		5 VAL A 110
SER A 113
SER A 141
VAL A 234
LEU A 219
 None
 1.15A 1rk3A-2h21A:
undetectable		 1rk3A-2h21A:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hxr HTH-TYPE
TRANSCRIPTIONAL
REGULATOR CYNR

(Escherichia
coli) 		PF03466
(LysR_substrate) 		5 VAL A 227
SER A 223
SER A 103
VAL A 168
LEU A 165
 None
 1.47A 1rk3A-2hxrA:
undetectable		 1rk3A-2hxrA:
23.24
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.
2j3t TRAFFICKING PROTEIN
PARTICLE COMPLEX
SUBUNIT 1
TRAFFICKING PROTEIN
PARTICLE COMPLEX
SUBUNIT 4

(Homo sapiens;
Mus musculus) 		PF04099
(Sybindin) 		5 LEU C  88
SER D 132
SER D 131
LEU D 170
HIS D 145
 None
 1.50A 1rk3A-2j3tC:
undetectable		 1rk3A-2j3tC:
18.60
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.
2o0m TRANSCRIPTIONAL
REGULATOR, SORC
FAMILY

(Enterococcus
faecalis) 		PF04198
(Sugar-bind) 		5 LEU A 124
VAL A 123
SER A 117
SER A 242
VAL A 130
 None
None
None
PO4  A 401 ( 4.0A)
None
 1.37A 1rk3A-2o0mA:
undetectable		 1rk3A-2o0mA:
22.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2o4j VITAMIN D3 RECEPTOR

(Rattus
norvegicus) 		PF00104
(Hormone_recep) 		6 LEU A 229
SER A 233
SER A 274
TRP A 282
CYH A 284
LEU A 389
 VD4  A 500 ( 4.8A)
VD4  A 500 ( 2.8A)
VD4  A 500 ( 2.9A)
VD4  A 500 ( 3.7A)
VD4  A 500 ( 3.4A)
None
 1.41A 1rk3A-2o4jA:
41.9		 1rk3A-2o4jA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2o4j VITAMIN D3 RECEPTOR

(Rattus
norvegicus) 		PF00104
(Hormone_recep) 		12 TYR A 143
LEU A 229
VAL A 230
SER A 233
SER A 271
SER A 274
TRP A 282
CYH A 284
VAL A 296
HIS A 301
LEU A 305
HIS A 393
 VD4  A 500 ( 4.7A)
VD4  A 500 ( 4.8A)
VD4  A 500 ( 4.6A)
VD4  A 500 ( 2.8A)
VD4  A 500 ( 3.9A)
VD4  A 500 ( 2.9A)
VD4  A 500 ( 3.7A)
VD4  A 500 ( 3.4A)
VD4  A 500 ( 4.4A)
VD4  A 500 ( 3.9A)
None
VD4  A 500 ( 3.9A)
 0.12A 1rk3A-2o4jA:
41.9		 1rk3A-2o4jA:
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.
2pmi CYCLIN-DEPENDENT
PROTEIN KINASE PHO85

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		5 LEU A 180
VAL A 179
SER A 194
VAL A 169
LEU A 154
 None
 1.44A 1rk3A-2pmiA:
undetectable		 1rk3A-2pmiA:
21.41
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.
2qne PUTATIVE
METHYLTRANSFERASE

(Desulfitobacterium
hafniense) 		PF06253
(MTTB) 		5 TYR A 206
LEU A  54
VAL A  59
SER A 256
HIS A  17
 None
 1.47A 1rk3A-2qneA:
undetectable		 1rk3A-2qneA:
22.37
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.
2zk7 GLUCOSE
1-DEHYDROGENASE
RELATED PROTEIN

(Thermoplasma
acidophilum) 		PF13561
(adh_short_C2) 		5 TYR A 108
VAL A 146
SER A 148
SER A 131
LEU A 245
 None
 1.39A 1rk3A-2zk7A:
undetectable		 1rk3A-2zk7A:
22.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3abg BILIRUBIN OXIDASE

(Albifimbria
verrucaria) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 SER A 272
SER A 231
SER A 198
HIS A 136
HIS A 134
 None
None
None
CU  A 701 (-3.2A)
CU  A 702 (-3.1A)
 1.28A 1rk3A-3abgA:
undetectable		 1rk3A-3abgA:
19.37
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.
3akc CYTIDYLATE KINASE

(Thermus
thermophilus) 		PF02224
(Cytidylate_kin) 		5 TYR A 141
SER A  13
SER A 179
VAL A  97
HIS A  89
 None
ADP  A 210 (-3.5A)
None
CDP  A 209 (-4.3A)
None
 1.47A 1rk3A-3akcA:
undetectable		 1rk3A-3akcA:
20.67
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.
3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF14710
(Nitr_red_alph_N) 		5 LEU A 716
SER A 714
SER A 607
HIS A1184
HIS A1163
 None
MD1  A1245 (-3.9A)
None
MD1  A1245 ( 4.6A)
MD1  A1245 (-3.4A)
 1.44A 1rk3A-3egwA:
undetectable		 1rk3A-3egwA:
12.86
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.
3fed GLUTAMATE
CARBOXYPEPTIDASE III

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		5 TYR A 575
LEU A 463
SER A 580
HIS A 637
LEU A 640
 None
 1.25A 1rk3A-3fedA:
undetectable		 1rk3A-3fedA:
18.25
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.
3l6a EUKARYOTIC
TRANSLATION
INITIATION FACTOR 4
GAMMA 2

(Homo sapiens) 		PF02020
(W2)
PF02847
(MA3) 		5 LEU A  53
VAL A 102
SER A  64
HIS A 133
LEU A 128
 None
None
None
SO4  A 366 (-3.6A)
None
 1.47A 1rk3A-3l6aA:
undetectable		 1rk3A-3l6aA:
22.45
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.
3l7z PROBABLE EXOSOME
COMPLEX EXONUCLEASE
2

(Sulfolobus
solfataricus) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		5 VAL A 113
SER A 117
SER A 161
VAL A 153
LEU A  90
 None
 1.49A 1rk3A-3l7zA:
undetectable		 1rk3A-3l7zA:
23.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3of7 REGULATOR OF
CHROMOSOME
CONDENSATION

(Saccharomyces
cerevisiae) 		PF00415
(RCC1)
PF13540
(RCC1_2) 		5 LEU A 324
VAL A 296
SER A 342
CYH A 354
VAL A 318
 None
 1.19A 1rk3A-3of7A:
undetectable		 1rk3A-3of7A:
22.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wgp VITAMIN D3 RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 LEU A 233
SER A 237
SER A 278
TRP A 286
CYH A 288
LEU A 393
 ED9  A 501 ( 4.3A)
ED9  A 501 (-2.7A)
ED9  A 501 (-2.7A)
ED9  A 501 (-3.5A)
ED9  A 501 (-3.4A)
None
 1.38A 1rk3A-3wgpA:
38.8		 1rk3A-3wgpA:
89.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wgp VITAMIN D3 RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		12 TYR A 143
LEU A 233
VAL A 234
SER A 237
SER A 275
SER A 278
TRP A 286
CYH A 288
VAL A 300
HIS A 305
LEU A 309
HIS A 397
 ED9  A 501 (-3.7A)
ED9  A 501 ( 4.3A)
None
ED9  A 501 (-2.7A)
ED9  A 501 (-3.9A)
ED9  A 501 (-2.7A)
ED9  A 501 (-3.5A)
ED9  A 501 (-3.4A)
ED9  A 501 (-4.5A)
ED9  A 501 (-3.9A)
ED9  A 501 (-4.9A)
ED9  A 501 (-3.9A)
 0.21A 1rk3A-3wgpA:
38.8		 1rk3A-3wgpA:
89.11
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.
3zif HEXON PROTEIN

(Bovine
mastadenovirus
B) 		PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C) 		5 VAL A 716
SER A 719
CYH A 825
VAL A 728
LEU A 697
 None
 1.45A 1rk3A-3zifA:
undetectable		 1rk3A-3zifA:
14.74
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.
4czx PAB-DEPENDENT
POLY(A)-SPECIFIC
RIBONUCLEASE SUBUNIT
PAN2

(Neurospora
crassa) 		no annotation 5 VAL A 225
SER A 198
SER A 159
CYH A 163
VAL A 246
 None
 1.31A 1rk3A-4czxA:
undetectable		 1rk3A-4czxA:
19.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dn9 ANTIBIOTIC
BIOSYNTHESIS
MONOOXYGENASE

(Chloroflexus
aurantiacus) 		PF03992
(ABM) 		5 LEU A  65
VAL A  68
SER A  67
HIS A  59
LEU A   4
 None
 1.47A 1rk3A-4dn9A:
undetectable		 1rk3A-4dn9A:
19.37
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.
4uuc ANKYRIN REPEAT AND
SOCS BOX PROTEIN 11

(Homo sapiens) 		PF12796
(Ank_2)
PF13637
(Ank_4) 		5 LEU A 150
VAL A 149
SER A 143
SER A 141
LEU A  78
 None
 1.22A 1rk3A-4uucA:
undetectable		 1rk3A-4uucA:
20.95
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.
4yhc STEROL REGULATORY
ELEMENT-BINDING
PROTEIN
CLEAVAGE-ACTIVATING
PROTEIN

(Schizosaccharomyces
pombe) 		no annotation 5 LEU A 686
SER A 680
SER A 658
LEU A 674
HIS A 676
 None
 1.42A 1rk3A-4yhcA:
undetectable		 1rk3A-4yhcA:
20.63
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.
5chc DMSO REDUCTASE
FAMILY TYPE II
ENZYME,
MOLYBDOPTERIN
SUBUNIT

(Azospira oryzae) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 LEU A  33
VAL A 142
SER A 143
SER A 581
HIS A 770
 MD1  A1004 (-4.6A)
None
None
MD1  A1004 (-3.4A)
MD1  A1004 ( 3.5A)
 1.29A 1rk3A-5chcA:
undetectable		 1rk3A-5chcA:
16.06
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.
5hb4 NUP192,NUCLEOPORIN
NUP192

(Chaetomium
thermophilum) 		PF11894
(Nup192) 		5 LEU B1070
SER B1065
VAL B1114
LEU B1052
HIS B1040
 None
 1.43A 1rk3A-5hb4B:
undetectable		 1rk3A-5hb4B:
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.
5iob BETA-GLUCOSIDASE-REL
ATED GLYCOSIDASES

(Corynebacterium
glutamicum) 		PF00933
(Glyco_hydro_3) 		5 TYR A 298
LEU A 321
VAL A 337
SER A 340
VAL A  79
 None
 1.47A 1rk3A-5iobA:
undetectable		 1rk3A-5iobA:
21.86
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.
5ixm LPS-ASSEMBLY PROTEIN
LPTD

(Yersinia pestis) 		PF04453
(OstA_C) 		5 TYR A 359
LEU A 315
SER A 334
SER A 379
TRP A 382
 None
 1.50A 1rk3A-5ixmA:
undetectable		 1rk3A-5ixmA:
20.77
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.
5iz5 CYTOSOLIC
PHOSPHOLIPASE A2
DELTA

(Homo sapiens) 		no annotation 5 LEU B 338
SER B 363
SER B 358
HIS B 729
LEU B 683
 None
 1.31A 1rk3A-5iz5B:
undetectable		 1rk3A-5iz5B:
17.03
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.
5jx3 URACIL-DNA
GLYCOSYLASE

(Vaccinia virus) 		no annotation 5 LEU A 170
VAL A 152
HIS A 151
LEU A  57
HIS A 147
 None
 1.23A 1rk3A-5jx3A:
undetectable		 1rk3A-5jx3A:
21.21
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.
5mdx PHOTOSYSTEM II CP43
REACTION CENTER
PROTEIN

(Arabidopsis
thaliana) 		PF00421
(PSII) 		5 TYR C 297
LEU C  95
VAL C 185
VAL C 176
LEU C 202
 CLA  C 503 ( 4.7A)
CLA  C 503 (-4.1A)
None
None
None
 1.22A 1rk3A-5mdxC:
undetectable		 1rk3A-5mdxC:
21.97
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.
5me3 SISTER CHROMATID
COHESION PROTEIN 2

(Eremothecium
gossypii) 		PF12765
(Cohesin_HEAT)
PF12830
(Nipped-B_C) 		5 TYR A1248
LEU A1241
VAL A1238
SER A1253
LEU A1198
 None
 1.41A 1rk3A-5me3A:
undetectable		 1rk3A-5me3A:
14.14
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.
5obu CHAPERONE PROTEIN
DNAK

(Mycoplasma
genitalium) 		no annotation 5 LEU A 332
VAL A 333
SER A 335
VAL A 185
LEU A 187
 None
 1.26A 1rk3A-5obuA:
undetectable		 1rk3A-5obuA:
12.55
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.
5obw CHAPERONE PROTEIN
DNAK

(Mycoplasma
genitalium) 		no annotation 5 LEU A 332
VAL A 333
SER A 335
VAL A 185
LEU A 187
 None
 1.24A 1rk3A-5obwA:
undetectable		 1rk3A-5obwA:
12.55
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.
5u1s SEPARIN

(Saccharomyces
cerevisiae) 		PF03568
(Peptidase_C50) 		5 LEU A1065
SER A1077
SER A1080
VAL A1152
HIS A1112
 None
 1.13A 1rk3A-5u1sA:
undetectable		 1rk3A-5u1sA:
11.34
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.
5xmj FUMARATE REDUCTASE
RESPIRATORY COMPLEX
SUCCINATE
DEHYDROGENASE
IRON-SULFUR SUBUNIT

(Desulfovibrio
gigas) 		no annotation 5 LEU B 224
CYH B 151
VAL B 217
HIS C 106
LEU C 104
 SF4  B 302 (-4.7A)
SF4  B 302 (-2.2A)
None
None
None
 1.22A 1rk3A-5xmjB:
undetectable		 1rk3A-5xmjB:
13.18
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.
5xun ACETYLTRANSFERASE

(Klebsiella
pneumoniae) 		PF13673
(Acetyltransf_10) 		5 LEU A   5
VAL A  51
SER A  52
SER A 102
LEU A  36
 None
 1.50A 1rk3A-5xunA:
undetectable		 1rk3A-5xunA:
21.50
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.
6fob VITAMIN D3 RECEPTOR
A

(Danio rerio) 		no annotation 6 LEU A 261
SER A 265
SER A 306
TRP A 314
CYH A 316
LEU A 419
 DZW  A 501 ( 4.5A)
DZW  A 501 (-3.0A)
DZW  A 501 (-2.7A)
DZW  A 501 (-3.5A)
DZW  A 501 (-3.4A)
None
 1.43A 1rk3A-6fobA:
38.9		 1rk3A-6fobA:
21.66
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.
6fob VITAMIN D3 RECEPTOR
A

(Danio rerio) 		no annotation 5 LEU A 261
VAL A 262
SER A 303
LEU A 338
HIS A 333
 DZW  A 501 ( 4.5A)
None
DZW  A 501 (-3.8A)
None
DZW  A 501 (-3.9A)
 1.35A 1rk3A-6fobA:
38.9		 1rk3A-6fobA:
21.66
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.
6fob VITAMIN D3 RECEPTOR
A

(Danio rerio) 		no annotation 6 TYR A 175
LEU A 261
VAL A 262
SER A 265
SER A 303
LEU A 338
 None
DZW  A 501 ( 4.5A)
None
DZW  A 501 (-3.0A)
DZW  A 501 (-3.8A)
None
 1.30A 1rk3A-6fobA:
38.9		 1rk3A-6fobA:
21.66
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.
6fob VITAMIN D3 RECEPTOR
A

(Danio rerio) 		no annotation 12 TYR A 175
LEU A 261
VAL A 262
SER A 265
SER A 303
SER A 306
TRP A 314
CYH A 316
VAL A 328
HIS A 333
LEU A 337
HIS A 423
 None
DZW  A 501 ( 4.5A)
None
DZW  A 501 (-3.0A)
DZW  A 501 (-3.8A)
DZW  A 501 (-2.7A)
DZW  A 501 (-3.5A)
DZW  A 501 (-3.4A)
DZW  A 501 ( 4.3A)
DZW  A 501 (-3.9A)
None
DZW  A 501 (-4.0A)
 0.27A 1rk3A-6fobA:
38.9		 1rk3A-6fobA:
21.66
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.
1hg4 ULTRASPIRACLE

(Drosophila
melanogaster) 		PF00104
(Hormone_recep) 		4 LEU A 321
ILE A 240
ARG A 405
TYR A 416
 None
 1.42A 1rk3A-1hg4A:
19.2		 1rk3A-1hg4A:
24.61
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.
1k1x 4-ALPHA-GLUCANOTRANS
FERASE

(Thermococcus
litoralis) 		PF03065
(Glyco_hydro_57)
PF09094
(DUF1925)
PF09095
(DUF1926) 		4 LEU A 134
ILE A 177
ARG A 182
TYR A 141
 None
 1.47A 1rk3A-1k1xA:
0.0		 1rk3A-1k1xA:
19.66
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.
1ycd HYPOTHETICAL 27.3
KDA PROTEIN IN
AAP1-SMF2 INTERGENIC
REGION

(Saccharomyces
cerevisiae) 		PF03959
(FSH1) 		4 LEU A 115
ILE A 157
ARG A 162
TYR A 142
 None
 1.49A 1rk3A-1ycdA:
0.0		 1rk3A-1ycdA:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z26 ARGONAUTE

(Pyrococcus
furiosus) 		PF02171
(Piwi)
PF12212
(PAZ_siRNAbind) 		4 LEU A 277
ILE A 125
ARG A 111
TYR A 122
 None
 1.43A 1rk3A-1z26A:
0.0		 1rk3A-1z26A:
17.06
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.
2aqx PREDICTED: INOSITOL
1,4,5-TRISPHOSPHATE
3-KINASE B

(Mus musculus) 		PF03770
(IPK) 		4 LEU A 704
ILE A 929
ARG A 851
TYR A 921
 None
 1.25A 1rk3A-2aqxA:
undetectable		 1rk3A-2aqxA:
21.49
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.
2ct8 METHIONYL-TRNA
SYNTHETASE

(Aquifex
aeolicus) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g) 		4 LEU A 475
ILE A 402
ARG A 324
TYR A  37
 None
 1.49A 1rk3A-2ct8A:
0.0		 1rk3A-2ct8A:
18.60
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.
2e1n PEX

(Synechococcus
elongatus) 		PF03551
(PadR) 		4 LEU A  81
ILE A  93
ARG A 120
TYR A 111
 None
 1.25A 1rk3A-2e1nA:
0.0		 1rk3A-2e1nA:
19.08
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.
2iu4 DIHYDROXYACETONE
KINASE

(Lactococcus
lactis) 		PF02733
(Dak1) 		4 LEU A 108
ILE A  88
ARG A  89
TYR A 127
 None
 1.24A 1rk3A-2iu4A:
0.0		 1rk3A-2iu4A:
25.00
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.
2llz UNCHARACTERIZED
PROTEIN YJDK

(Escherichia
coli) 		PF11080
(GhoS) 		4 LEU A  52
ILE A  72
ARG A  73
TYR A  34
 None
 1.26A 1rk3A-2llzA:
undetectable		 1rk3A-2llzA:
22.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2o4j VITAMIN D3 RECEPTOR

(Rattus
norvegicus) 		PF00104
(Hormone_recep) 		4 LEU A 223
ILE A 267
ARG A 270
TYR A 397
 None
VD4  A 500 ( 4.7A)
VD4  A 500 ( 4.0A)
None
 0.18A 1rk3A-2o4jA:
41.9		 1rk3A-2o4jA:
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.
2plc PHOSPHATIDYLINOSITOL
-SPECIFIC
PHOSPHOLIPASE C

(Listeria
monocytogenes) 		PF00388
(PI-PLC-X) 		4 LEU A 102
ILE A 121
ARG A  79
TYR A 146
 None
 1.41A 1rk3A-2plcA:
undetectable		 1rk3A-2plcA:
23.36
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.
2pnd V-SET AND
IMMUNOGLOBULIN
DOMAIN CONTAINING 4

(Mus musculus) 		PF07686
(V-set) 		4 LEU A  84
ILE A  58
ARG A  64
TYR A  92
 None
 1.29A 1rk3A-2pndA:
undetectable		 1rk3A-2pndA:
17.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2py6 METHYLTRANSFERASE
FKBM

(Methylobacillus
flagellatus) 		PF05050
(Methyltransf_21) 		4 LEU A 116
ILE A  98
ARG A 102
TYR A  92
 None
 1.43A 1rk3A-2py6A:
undetectable		 1rk3A-2py6A:
19.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ipl 2-SUCCINYLBENZOATE--
COA LIGASE

(Staphylococcus
aureus) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 LEU A 101
ILE A 232
ARG A 231
TYR A 212
 None
 1.03A 1rk3A-3iplA:
undetectable		 1rk3A-3iplA:
21.10
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.
3jtz INTEGRASE

(Yersinia pestis) 		PF13356
(Arm-DNA-bind_3) 		4 LEU A  53
ILE A   8
ARG A   9
TYR A  27
 None
 1.42A 1rk3A-3jtzA:
undetectable		 1rk3A-3jtzA:
16.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ll7 PUTATIVE
METHYLTRANSFERASE

(Porphyromonas
gingivalis) 		no annotation 4 LEU A  47
ILE A  33
ARG A  38
TYR A  65
 None
 1.42A 1rk3A-3ll7A:
undetectable		 1rk3A-3ll7A:
23.37
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.
3nad FERULATE
DECARBOXYLASE

(Bacillus
pumilus) 		PF05870
(PA_decarbox) 		4 LEU A  72
ILE A 144
ARG A  44
TYR A  19
 None
 1.29A 1rk3A-3nadA:
undetectable		 1rk3A-3nadA:
17.01
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.
3no6 TRANSCRIPTIONAL
ACTIVATOR TENA

(Staphylococcus
epidermidis) 		PF03070
(TENA_THI-4) 		4 LEU A  89
ILE A  18
ARG A 209
TYR A 167
 None
 1.49A 1rk3A-3no6A:
2.7		 1rk3A-3no6A:
20.85
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.
3nuu PKB-LIKE

(Homo sapiens) 		PF00069
(Pkinase) 		4 LEU A 316
ILE A 202
ARG A 204
TYR A 333
 None
None
SEP  A 241 ( 3.4A)
None
 1.48A 1rk3A-3nuuA:
undetectable		 1rk3A-3nuuA:
22.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wgp VITAMIN D3 RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		4 LEU A 227
ILE A 271
ARG A 274
TYR A 401
 None
ED9  A 501 (-4.5A)
ED9  A 501 (-2.9A)
None
 0.37A 1rk3A-3wgpA:
38.8		 1rk3A-3wgpA:
89.11
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.
3wjs NADH OXIDASE

(Gluconobacter
oxydans) 		PF00724
(Oxidored_FMN) 		4 LEU A 205
ILE A 216
ARG A 220
TYR A 154
 None
None
PGE  A 401 (-3.7A)
None
 1.48A 1rk3A-3wjsA:
undetectable		 1rk3A-3wjsA:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4aoe ACETYLCHOLINE-BINDIN
G PROTEIN TYPE 2

(Biomphalaria
glabrata) 		PF02931
(Neur_chan_LBD) 		4 LEU A 155
ILE A  23
ARG A  63
TYR A 148
 None
 1.35A 1rk3A-4aoeA:
undetectable		 1rk3A-4aoeA:
24.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g1g MATRIX PROTEIN

(Avian
avulavirus 1) 		PF00661
(Matrix) 		4 LEU A  94
ILE A  43
ARG A  45
TYR A  62
 None
 1.40A 1rk3A-4g1gA:
undetectable		 1rk3A-4g1gA:
20.05
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.
4iig BETA-GLUCOSIDASE 1

(Aspergillus
aculeatus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 LEU A 524
ILE A 632
ARG A 635
TYR A 610
 None
 1.44A 1rk3A-4iigA:
undetectable		 1rk3A-4iigA:
16.33
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.
4isa UDP-3-O-[3-HYDROXYMY
RISTOYL]
N-ACETYLGLUCOSAMINE
DEACETYLASE

(Escherichia
coli) 		PF03331
(LpxC) 		4 LEU A  26
ILE A  89
ARG A   5
TYR A  39
 None
 1.32A 1rk3A-4isaA:
undetectable		 1rk3A-4isaA:
20.42
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.
4mzw GLUTATHIONE
S-TRANSFERASE

(Streptococcus
sanguinis) 		PF02798
(GST_N)
PF13410
(GST_C_2) 		4 LEU A 221
ILE A 244
ARG A 247
TYR A 213
 None
 1.36A 1rk3A-4mzwA:
undetectable		 1rk3A-4mzwA:
21.27
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.
4pua GLUTATHIONE
S-TRANSFERASE

(Streptococcus
pneumoniae) 		PF02798
(GST_N)
PF13410
(GST_C_2) 		4 LEU A 222
ILE A 245
ARG A 248
TYR A 214
 None
 1.37A 1rk3A-4puaA:
undetectable		 1rk3A-4puaA:
22.26
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.
4rh0 SPORE PHOTOPRODUCT
LYASE

(Geobacillus
thermodenitrificans) 		no annotation 4 LEU A 320
ILE A 196
ARG A 215
TYR A 327
 None
 1.38A 1rk3A-4rh0A:
undetectable		 1rk3A-4rh0A:
19.64
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.
4s3k SPORE GERMINATION
PROTEIN YAAH

(Bacillus
megaterium) 		PF00704
(Glyco_hydro_18)
PF01476
(LysM) 		4 LEU A 323
ILE A 318
ARG A 402
TYR A 283
 None
None
SO4  A 501 (-2.9A)
None
 1.47A 1rk3A-4s3kA:
undetectable		 1rk3A-4s3kA:
21.38
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.
4tmu RECQ

(Cronobacter
sakazakii) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF09382
(RQC)
PF16124
(RecQ_Zn_bind) 		4 LEU A  85
ILE A 121
ARG A 125
TYR A  57
 None
 1.20A 1rk3A-4tmuA:
undetectable		 1rk3A-4tmuA:
19.43
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.
4upk PHOSPHONATE
MONOESTER HYDROLASE

(Ruegeria
pomeroyi) 		PF00884
(Sulfatase) 		4 LEU A 193
ILE A 313
ARG A 346
TYR A 210
 None
 1.44A 1rk3A-4upkA:
undetectable		 1rk3A-4upkA:
20.45
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.
4y05 KINESIN-LIKE PROTEIN
KIF2C

(Homo sapiens) 		PF00225
(Kinesin) 		4 LEU A 493
ILE A 259
ARG A 258
TYR A 581
 None
 1.24A 1rk3A-4y05A:
undetectable		 1rk3A-4y05A:
22.84
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.
5b6h ADENINE
PHOSPHORIBOSYLTRANSF
ERASE

(Yersinia
pseudotuberculosis) 		PF00156
(Pribosyltran) 		4 LEU A  52
ILE A  19
ARG A  33
TYR A  45
 None
 1.47A 1rk3A-5b6hA:
undetectable		 1rk3A-5b6hA:
18.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fpr DNA LIGASE

(Staphylococcus
aureus) 		PF01653
(DNA_ligase_aden) 		4 LEU A  82
ILE A 277
ARG A 270
TYR A 219
 None
 1.44A 1rk3A-5fprA:
undetectable		 1rk3A-5fprA:
23.84
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.
5g49 NUCLEAR
TRANSCRIPTION FACTOR
Y SUBUNIT B-6

(Arabidopsis
thaliana) 		PF00808
(CBFD_NFYB_HMF) 		4 LEU A 138
ILE A  71
ARG A  70
TYR A  97
 None
 1.48A 1rk3A-5g49A:
undetectable		 1rk3A-5g49A:
15.41
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.
5gai TAIL FIBER PROTEIN

(Salmonella
virus P22) 		no annotation 4 LEU Y 145
ILE Y 181
ARG Y 266
TYR Y 151
 None
 1.33A 1rk3A-5gaiY:
undetectable		 1rk3A-5gaiY:
19.00
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.
5oar BETA-HEXOSAMINIDASE

(Aspergillus
oryzae) 		no annotation 4 LEU B 537
ILE B 264
ARG B 262
TYR B 184
 None
 1.39A 1rk3A-5oarB:
undetectable		 1rk3A-5oarB:
15.54
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.
5swi SUGAR HYDROLASE

(Streptococcus
pneumoniae) 		no annotation 4 LEU B 684
ILE B 320
ARG B 248
TYR B 625
 None
 1.35A 1rk3A-5swiB:
undetectable		 1rk3A-5swiB:
18.08
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.
5ueb NEGOA.19184.A

(Neisseria
gonorrhoeae) 		PF14085
(DUF4265) 		4 LEU A  84
ILE A  36
ARG A  96
TYR A 112
 None
 1.14A 1rk3A-5uebA:
undetectable		 1rk3A-5uebA:
20.76
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.
6dbr -

(-) 		no annotation 4 LEU A 816
ILE A 968
ARG A 971
TYR A 957
 None
 1.40A 1rk3A-6dbrA:
undetectable		 1rk3A-6dbrA:
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.
6f42 DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC1

(Saccharomyces
cerevisiae) 		no annotation 4 LEU A 896
ILE A1371
ARG A 888
TYR A1364
 None
 1.23A 1rk3A-6f42A:
undetectable		 1rk3A-6f42A:
13.70
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.
6fob VITAMIN D3 RECEPTOR
A

(Danio rerio) 		no annotation 4 LEU A 255
ILE A 299
ARG A 302
TYR A 427
 None
DZW  A 501 (-4.7A)
DZW  A 501 (-3.8A)
DZW  A 501 (-4.9A)
 0.12A 1rk3A-6fobA:
38.9		 1rk3A-6fobA:
21.66