SIMILAR PATTERNS OF AMINO ACIDS FOR 1XDK_B_9CRB600_2

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.
1aj8 CITRATE SYNTHASE

(Pyrococcus
furiosus) 		PF00285
(Citrate_synt) 		3 LEU A 317
PHE A 288
ARG A 273
 None
 0.74A 1xdkB-1aj8A:
0.0		 1xdkB-1aj8A:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bs0 PROTEIN
(8-AMINO-7-OXONANOAT
E SYNTHASE)

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		3 LEU A 276
PHE A 234
ARG A 101
 None
 0.81A 1xdkB-1bs0A:
0.0		 1xdkB-1bs0A:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1d6m DNA TOPOISOMERASE
III

(Escherichia
coli) 		PF01131
(Topoisom_bac)
PF01751
(Toprim) 		3 LEU A 205
PHE A 506
ARG A 489
 None
 0.82A 1xdkB-1d6mA:
0.0		 1xdkB-1d6mA:
18.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1exx RETINOIC ACID
RECEPTOR GAMMA-2

(Homo sapiens) 		PF00104
(Hormone_recep) 		3 LEU A 233
PHE A 288
ARG A 396
 961  A 450 ( 4.0A)
961  A 450 (-4.6A)
None
 0.44A 1xdkB-1exxA:
37.3		 1xdkB-1exxA:
81.61
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.
1f3b GLUTATHIONE
S-TRANSFERASE YA
CHAIN

(Mus musculus) 		PF00043
(GST_C)
PF02798
(GST_N) 		3 LEU A 159
PHE A 135
ARG A  68
 None
 0.85A 1xdkB-1f3bA:
0.0		 1xdkB-1f3bA:
22.08
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.
1fiq XANTHINE OXIDASE

(Bos taurus) 		PF00111
(Fer2)
PF01799
(Fer2_2) 		3 LEU A   6
PHE A   8
ARG A  32
 None
 0.83A 1xdkB-1fiqA:
undetectable		 1xdkB-1fiqA:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ftf ACYL CARRIER PROTEIN
SYNTHASE

(Streptococcus
pneumoniae) 		PF01648
(ACPS) 		3 LEU A1032
PHE A1040
ARG A1023
 None
 0.89A 1xdkB-1ftfA:
undetectable		 1xdkB-1ftfA:
15.96
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.
1gm5 RECG

(Thermotoga
maritima) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF17190
(RecG_N)
PF17191
(RecG_wedge) 		3 LEU A 671
PHE A 708
ARG A 680
 None
 0.84A 1xdkB-1gm5A:
0.0		 1xdkB-1gm5A:
16.48
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.
1ile ISOLEUCYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		3 LEU A 101
PHE A 115
ARG A 391
 None
 0.71A 1xdkB-1ileA:
0.0		 1xdkB-1ileA:
17.18
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.
1lcy HTRA2 SERINE
PROTEASE

(Homo sapiens) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		3 LEU A 133
PHE A 170
ARG A  74
 None
 0.85A 1xdkB-1lcyA:
undetectable		 1xdkB-1lcyA:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mov GFP-LIKE
NON-FLUORESCENT
CHROMOPROTEIN

(Montipora
efflorescens) 		PF01353
(GFP) 		3 LEU A  54
PHE A  27
ARG A  95
 None
None
CRQ  A  66 ( 2.9A)
 0.89A 1xdkB-1movA:
undetectable		 1xdkB-1movA:
19.34
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.
1pjm IMPORTIN ALPHA-2
SUBUNIT

(Mus musculus) 		PF00514
(Arm)
PF16186
(Arm_3) 		3 LEU B 144
PHE B 124
ARG B 106
 None
 0.63A 1xdkB-1pjmB:
undetectable		 1xdkB-1pjmB:
21.81
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.
1q5a EP-CADHERIN

(Mus musculus) 		PF00028
(Cadherin) 		3 LEU A 312
PHE A 308
ARG A 262
 None
NDG  A 804 (-4.9A)
NAG  A 805 ( 4.6A)
 0.89A 1xdkB-1q5aA:
undetectable		 1xdkB-1q5aA:
15.92
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.
1r4y RIBONUCLEASE
ALPHA-SARCIN

(Aspergillus
giganteus) 		no annotation 3 LEU A 133
PHE A  57
ARG A  52
 None
 0.90A 1xdkB-1r4yA:
undetectable		 1xdkB-1r4yA:
17.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sk7 HYPOTHETICAL PROTEIN
PA-HO

(Pseudomonas
aeruginosa) 		PF01126
(Heme_oxygenase) 		3 LEU A 138
PHE A  45
ARG A 154
 None
 0.85A 1xdkB-1sk7A:
undetectable		 1xdkB-1sk7A:
20.38
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.
1taq TAQ DNA POLYMERASE

(Thermus
aquaticus) 		PF00476
(DNA_pol_A)
PF01367
(5_3_exonuc)
PF02739
(5_3_exonuc_N)
PF09281
(Taq-exonuc) 		3 LEU A 574
PHE A 564
ARG A 595
 None
 0.61A 1xdkB-1taqA:
undetectable		 1xdkB-1taqA:
15.75
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.
1tki TITIN

(Homo sapiens) 		PF00069
(Pkinase) 		3 LEU A  72
PHE A 165
ARG A  78
 None
 0.87A 1xdkB-1tkiA:
undetectable		 1xdkB-1tkiA:
24.65
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.
1txd RHO GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 12

(Homo sapiens) 		PF00621
(RhoGEF) 		3 LEU A 926
PHE A 813
ARG A 923
 None
 0.84A 1xdkB-1txdA:
undetectable		 1xdkB-1txdA:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tyk TOXIN GSMTX-4

(Grammostola
rosea) 		PF07740
(Toxin_12) 		3 LEU A  26
PHE A  27
ARG A  18
 None
 0.87A 1xdkB-1tykA:
undetectable		 1xdkB-1tykA:
5.76
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.
1v43 SUGAR-BINDING
TRANSPORT
ATP-BINDING PROTEIN

(Pyrococcus
horikoshii) 		PF00005
(ABC_tran)
PF08402
(TOBE_2) 		3 LEU A 260
PHE A 287
ARG A 310
 None
 0.69A 1xdkB-1v43A:
undetectable		 1xdkB-1v43A:
23.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w1w STRUCTURAL
MAINTENANCE OF
CHROMOSOME 1

(Saccharomyces
cerevisiae) 		PF02463
(SMC_N) 		3 LEU A 135
PHE A 134
ARG A   3
 None
 0.86A 1xdkB-1w1wA:
undetectable		 1xdkB-1w1wA:
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.
1wve 4-CRESOL
DEHYDROGENASE
[HYDROXYLATING]
FLAVOPROTEIN SUBUNIT

(Pseudomonas
putida) 		PF01565
(FAD_binding_4)
PF02913
(FAD-oxidase_C) 		3 LEU A 462
PHE A 479
ARG A 453
 None
 0.76A 1xdkB-1wveA:
undetectable		 1xdkB-1wveA:
20.98
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.
1wyt GLYCINE
DEHYDROGENASE
SUBUNIT 2
(P-PROTEIN)

(Thermus
thermophilus) 		PF02347
(GDC-P) 		3 LEU B 325
PHE B 324
ARG B 335
 None
 0.85A 1xdkB-1wytB:
undetectable		 1xdkB-1wytB:
20.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xap RETINOIC ACID
RECEPTOR BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		3 LEU A 224
PHE A 279
ARG A 387
 TTB  A   1 (-4.4A)
TTB  A   1 (-4.6A)
None
 0.19A 1xdkB-1xapA:
37.1		 1xdkB-1xapA:
92.57
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.
1xi8 MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN

(Pyrococcus
furiosus) 		PF00994
(MoCF_biosynth)
PF03453
(MoeA_N)
PF03454
(MoeA_C) 		3 LEU A 309
PHE A 345
ARG A 222
 None
 0.87A 1xdkB-1xi8A:
undetectable		 1xdkB-1xi8A:
22.03
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.
1yzy HYPOTHETICAL PROTEIN
HI1011

(Haemophilus
influenzae) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		3 LEU A 151
PHE A  84
ARG A 191
 None
 0.87A 1xdkB-1yzyA:
undetectable		 1xdkB-1yzyA:
20.94
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.
1zh4 KDP OPERON
TRANSCRIPTIONAL
REGULATORY PROTEIN
KDPE

(Escherichia
coli) 		PF00072
(Response_reg) 		3 LEU A  51
PHE A  63
ARG A  44
 None
 0.88A 1xdkB-1zh4A:
undetectable		 1xdkB-1zh4A:
15.51
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.
1zrt CYTOCHROME C1

(Rhodobacter
capsulatus) 		PF02167
(Cytochrom_C1) 		3 LEU D  23
PHE D 212
ARG D  46
 None
 0.85A 1xdkB-1zrtD:
undetectable		 1xdkB-1zrtD:
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.
2b8e CATION-TRANSPORTING
ATPASE

(Archaeoglobus
fulgidus) 		PF00702
(Hydrolase) 		3 LEU A 429
PHE A 423
ARG A 652
 None
 0.88A 1xdkB-2b8eA:
undetectable		 1xdkB-2b8eA:
23.46
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.
2c9i GREEN FLUORESCENT
PROTEIN ASFP499

(Anemonia
sulcata) 		PF01353
(GFP) 		3 LEU A  51
PHE A  24
ARG A  92
 None
None
CRQ  A  63 ( 3.1A)
 0.83A 1xdkB-2c9iA:
undetectable		 1xdkB-2c9iA:
20.06
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.
2crp REGULATOR OF
G-PROTEIN SIGNALING
5

(Homo sapiens) 		PF00615
(RGS) 		3 LEU A  32
PHE A  42
ARG A 121
 None
 0.81A 1xdkB-2crpA:
undetectable		 1xdkB-2crpA:
20.27
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.
2dc1 L-ASPARTATE
DEHYDROGENASE

(Archaeoglobus
fulgidus) 		PF01958
(DUF108)
PF03447
(NAD_binding_3) 		3 LEU A  91
PHE A  85
ARG A 103
 None
 0.82A 1xdkB-2dc1A:
undetectable		 1xdkB-2dc1A:
21.63
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.
2dr3 UPF0273 PROTEIN
PH0284

(Pyrococcus
horikoshii) 		PF06745
(ATPase) 		3 LEU A  28
PHE A  39
ARG A   4
 None
 0.70A 1xdkB-2dr3A:
undetectable		 1xdkB-2dr3A:
22.32
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.
2ewy BETA-SECRETASE 2

(Homo sapiens) 		PF00026
(Asp) 		3 LEU A 137
PHE A 153
ARG A 363
 None
 0.88A 1xdkB-2ewyA:
undetectable		 1xdkB-2ewyA:
22.19
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.
2gai DNA TOPOISOMERASE I

(Thermotoga
maritima) 		PF01131
(Topoisom_bac)
PF01751
(Toprim) 		3 LEU A 201
PHE A 419
ARG A 386
 None
 0.88A 1xdkB-2gaiA:
undetectable		 1xdkB-2gaiA:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h5r MSTRAWBERRY

(Discosoma sp.) 		PF01353
(GFP) 		3 LEU A  54
PHE A  27
ARG A  95
 None
None
CRO  A  66 ( 2.9A)
 0.80A 1xdkB-2h5rA:
undetectable		 1xdkB-2h5rA:
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.
2h8q RED FLUORESCENT
PROTEIN DRFP583

(Discosoma sp.) 		PF01353
(GFP) 		3 LEU A  54
PHE A  27
ARG A  95
 None
None
CRQ  A  66 ( 3.0A)
 0.85A 1xdkB-2h8qA:
undetectable		 1xdkB-2h8qA:
20.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hst EUKARYOTIC PEPTIDE
CHAIN RELEASE FACTOR
SUBUNIT 1

(Homo sapiens) 		PF03464
(eRF1_2) 		3 LEU A 212
PHE A 158
ARG A 203
 None
 0.86A 1xdkB-2hstA:
undetectable		 1xdkB-2hstA:
18.73
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.
2htv NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		3 LEU A 240
PHE A 275
ARG A 355
 None
 0.86A 1xdkB-2htvA:
undetectable		 1xdkB-2htvA:
21.46
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.
2i2x METHYLTRANSFERASE 1

(Methanosarcina
barkeri) 		PF12176
(MtaB) 		3 LEU A 147
PHE A 146
ARG A 123
 None
 0.88A 1xdkB-2i2xA:
undetectable		 1xdkB-2i2xA:
21.20
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.
2iqc FANCONI ANEMIA GROUP
F PROTEIN

(Homo sapiens) 		PF11107
(FANCF) 		3 LEU A 196
PHE A 201
ARG A 187
 None
 0.71A 1xdkB-2iqcA:
undetectable		 1xdkB-2iqcA:
23.02
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.
2iw0 CHITIN DEACETYLASE

(Colletotrichum
lindemuthianum) 		PF01522
(Polysacc_deac_1) 		3 LEU A 220
PHE A 188
ARG A 230
 None
 0.64A 1xdkB-2iw0A:
undetectable		 1xdkB-2iw0A:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iy4 NON-HEME
IRON-CONTAINING
FERRITIN

(Listeria
monocytogenes) 		PF00210
(Ferritin) 		3 LEU A 119
PHE A  12
ARG A 110
 None
 0.73A 1xdkB-2iy4A:
undetectable		 1xdkB-2iy4A:
22.43
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.
2j7n RNA-DEPENDENT RNA
POLYMERASE

(Neurospora
crassa) 		PF05183
(RdRP) 		3 LEU A 651
PHE A 583
ARG A 528
 None
 0.90A 1xdkB-2j7nA:
undetectable		 1xdkB-2j7nA:
15.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jii SERINE/THREONINE-PRO
TEIN KINASE VRK3
MOLECULE: VACCINIA
RELATED KINASE 3

(Homo sapiens) 		PF00069
(Pkinase) 		3 LEU A 262
PHE A 313
ARG A 174
 None
 0.88A 1xdkB-2jiiA:
undetectable		 1xdkB-2jiiA:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2kfu RV1827 PTHR 22

(Mycobacterium
tuberculosis) 		PF00498
(FHA) 		3 LEU A  58
PHE A 146
ARG A 123
 None
 0.78A 1xdkB-2kfuA:
undetectable		 1xdkB-2kfuA:
21.26
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.
2nq2 HYPOTHETICAL ABC
TRANSPORTER
ATP-BINDING PROTEIN
HI1470

(Haemophilus
influenzae) 		PF00005
(ABC_tran) 		3 LEU C 171
PHE C 184
ARG C 213
 None
 0.87A 1xdkB-2nq2C:
undetectable		 1xdkB-2nq2C:
22.98
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.
2o26 KIT LIGAND
MAST/STEM CELL
GROWTH FACTOR
RECEPTOR

(Mus musculus) 		PF02404
(SCF)
no annotation 		3 LEU X 125
PHE X 201
ARG A 104
 None
 0.66A 1xdkB-2o26X:
undetectable		 1xdkB-2o26X:
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.
2ohf GTP-BINDING PROTEIN
9

(Homo sapiens) 		PF01926
(MMR_HSR1)
PF06071
(YchF-GTPase_C) 		3 LEU A  88
PHE A 300
ARG A 317
 None
 0.85A 1xdkB-2ohfA:
undetectable		 1xdkB-2ohfA:
21.30
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.
2ok8 PUTATIVE
FERREDOXIN--NADP
REDUCTASE

(Plasmodium
falciparum) 		PF00175
(NAD_binding_1) 		3 LEU A  16
PHE A  46
ARG A  98
 None
 0.81A 1xdkB-2ok8A:
undetectable		 1xdkB-2ok8A:
17.21
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.
2p22 SUPPRESSOR PROTEIN
STP22 OF
TEMPERATURE-SENSITIV
E ALPHA-FACTOR
RECEPTOR AND
ARGININE PERMEASE
VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 28

(Saccharomyces
cerevisiae) 		PF03997
(VPS28)
PF09454
(Vps23_core) 		3 LEU A 372
PHE A 371
ARG B 114
 None
 0.86A 1xdkB-2p22A:
undetectable		 1xdkB-2p22A:
18.84
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.
2p5x N-ACETYLSEROTONIN
O-METHYLTRANSFERASE-
LIKE PROTEIN

(Homo sapiens) 		PF02545
(Maf) 		3 LEU A  33
PHE A  35
ARG A  23
 None
 0.81A 1xdkB-2p5xA:
undetectable		 1xdkB-2p5xA:
20.51
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.
2pok PEPTIDASE,
M20/M25/M40 FAMILY

(Streptococcus
pneumoniae) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		3 LEU A 296
PHE A 295
ARG A 334
 None
 0.82A 1xdkB-2pokA:
undetectable		 1xdkB-2pokA:
20.37
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.
2q01 URONATE ISOMERASE

(Caulobacter
vibrioides) 		PF02614
(UxaC) 		3 LEU A 131
PHE A 105
ARG A  11
 None
 0.87A 1xdkB-2q01A:
undetectable		 1xdkB-2q01A:
23.77
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.
2qdj RETINOBLASTOMA-ASSOC
IATED PROTEIN

(Homo sapiens) 		PF11934
(DUF3452) 		3 LEU A  64
PHE A 115
ARG A  73
 None
 0.63A 1xdkB-2qdjA:
2.6		 1xdkB-2qdjA:
23.81
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.
2qni UNCHARACTERIZED
PROTEIN ATU0299

(Agrobacterium
fabrum) 		PF00300
(His_Phos_1) 		3 LEU A 149
PHE A 200
ARG A 140
 None
 0.74A 1xdkB-2qniA:
undetectable		 1xdkB-2qniA:
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.
2qsv UNCHARACTERIZED
PROTEIN

(Porphyromonas
gingivalis) 		PF07610
(DUF1573) 		3 LEU A  67
PHE A  12
ARG A  51
 None
 0.89A 1xdkB-2qsvA:
undetectable		 1xdkB-2qsvA:
18.97
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.
2qt3 N-ISOPROPYLAMMELIDE
ISOPROPYL
AMIDOHYDROLASE

(Pseudomonas sp.
ADP) 		PF01979
(Amidohydro_1) 		3 LEU A 261
PHE A 253
ARG A 231
 None
 0.81A 1xdkB-2qt3A:
undetectable		 1xdkB-2qt3A:
22.14
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.
2qv2 INOSITOL
POLYPHOSPHATE
5-PHOSPHATASE OCRL-1

(Homo sapiens) 		PF00620
(RhoGAP) 		3 LEU A 310
PHE A 331
ARG A 274
 LEU  A 310 ( 0.6A)
PHE  A 331 ( 1.3A)
ARG  A 274 ( 0.6A)
 0.72A 1xdkB-2qv2A:
undetectable		 1xdkB-2qv2A:
21.29
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.
2r7m 5-FORMAMINOIMIDAZOLE
-4-CARBOXAMIDE-1-(BE
TA)-D-RIBOFURANOSYL
5'-MONOPHOSPHATE
SYNTHETASE

(Methanocaldococcus
jannaschii) 		PF06849
(DUF1246)
PF06973
(DUF1297) 		3 LEU A  24
PHE A  95
ARG A  83
 None
 0.85A 1xdkB-2r7mA:
undetectable		 1xdkB-2r7mA:
21.29
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.
2rch CYTOCHROME P450 74A

(Arabidopsis
thaliana) 		PF00067
(p450) 		3 LEU A 221
PHE A 220
ARG A 179
 None
 0.84A 1xdkB-2rchA:
undetectable		 1xdkB-2rchA:
22.57
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.
2rv8 DNA-BINDING RESPONSE
REGULATOR

(Mycobacterium
tuberculosis) 		PF00486
(Trans_reg_C) 		3 LEU A 243
PHE A 185
ARG A 237
 None
 0.86A 1xdkB-2rv8A:
undetectable		 1xdkB-2rv8A:
18.86
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.
2vad RED FLUORESCENT
PROTEIN

(Discosoma sp.) 		PF01353
(GFP) 		3 LEU A  54
PHE A  27
ARG A  95
 None
None
CRQ  A  66 ( 2.9A)
 0.88A 1xdkB-2vadA:
undetectable		 1xdkB-2vadA:
18.77
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.
2vjw GAF FAMILY PROTEIN

(Mycolicibacterium
smegmatis) 		PF01590
(GAF) 		3 LEU A 247
PHE A 355
ARG A 238
 None
 0.80A 1xdkB-2vjwA:
undetectable		 1xdkB-2vjwA:
19.32
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.
2voy CATION-TRANSPORTING
ATPASE

(Archaeoglobus
fulgidus) 		PF00702
(Hydrolase) 		3 LEU I 429
PHE I 423
ARG I 652
 None
 0.88A 1xdkB-2voyI:
undetectable		 1xdkB-2voyI:
18.81
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.
2vsq SURFACTIN SYNTHETASE
SUBUNIT 3

(Bacillus
subtilis) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		3 LEU A  83
PHE A   4
ARG A 128
 None
 0.89A 1xdkB-2vsqA:
undetectable		 1xdkB-2vsqA:
13.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w9x PUTATIVE ACETYL
XYLAN ESTERASE

(Cellvibrio
japonicus) 		PF00657
(Lipase_GDSL) 		3 LEU A  66
PHE A 127
ARG A  78
 None
 0.88A 1xdkB-2w9xA:
undetectable		 1xdkB-2w9xA:
22.28
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.
2wa5 FILAMIN-B

(Homo sapiens) 		PF00307
(CH) 		3 LEU A 174
PHE A 237
ARG A 199
 None
 0.81A 1xdkB-2wa5A:
undetectable		 1xdkB-2wa5A:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wmp PAPG PROTEIN

(Escherichia
coli) 		PF03628
(PapG_C) 		3 LEU B 287
PHE B 237
ARG B 198
 None
 0.88A 1xdkB-2wmpB:
undetectable		 1xdkB-2wmpB:
16.17
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.
2y3a PHOSPHATIDYLINOSITOL
-4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT BETA ISOFORM

(Mus musculus) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd)
PF02192
(PI3K_p85B) 		3 LEU A 242
PHE A 275
ARG A 662
 None
 0.79A 1xdkB-2y3aA:
undetectable		 1xdkB-2y3aA:
14.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y6i COLLAGENASE

(Hathewaya
histolytica) 		PF01752
(Peptidase_M9)
PF08453
(Peptidase_M9_N) 		3 LEU A 617
PHE A 625
ARG A 573
 None
 0.76A 1xdkB-2y6iA:
undetectable		 1xdkB-2y6iA:
16.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yik ENDOGLUCANASE

(Ruminiclostridium
thermocellum) 		PF00759
(Glyco_hydro_9) 		3 LEU A 100
PHE A 170
ARG A  78
 None
 0.63A 1xdkB-2yikA:
undetectable		 1xdkB-2yikA:
16.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yp1 AROMATIC
PEROXYGENASE

(Agrocybe
aegerita) 		PF01328
(Peroxidase_2) 		3 LEU A  83
PHE A 311
ARG A 189
 None
None
HEM  A 350 (-3.3A)
 0.90A 1xdkB-2yp1A:
undetectable		 1xdkB-2yp1A:
22.13
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.
2yuj UBIQUITIN FUSION
DEGRADATION 1-LIKE

(Homo sapiens) 		PF03152
(UFD1) 		3 LEU A  50
PHE A  82
ARG A  15
 None
 0.71A 1xdkB-2yujA:
undetectable		 1xdkB-2yujA:
19.80
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.
2z99 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Mycobacterium
tuberculosis) 		PF04079
(SMC_ScpB) 		3 LEU A 152
PHE A 173
ARG A 124
 None
 0.87A 1xdkB-2z99A:
undetectable		 1xdkB-2z99A:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zo6 CYAN-EMITTING
GFP-LIKE PROTEIN,
KUSABIRA-CYAN (KCY)

(Verrillofungia
concinna) 		PF01353
(GFP) 		3 LEU A  50
PHE A  23
ARG A  91
 None
None
GYS  A  63 ( 3.0A)
 0.78A 1xdkB-2zo6A:
undetectable		 1xdkB-2zo6A:
20.50
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.
2zo7 CYAN/GREEN-EMITTING
GFP-LIKE PROTEIN,
KUSABIRA-CYAN MUTANT
(KCY-R1)

(Verrillofungia
concinna) 		PF01353
(GFP) 		3 LEU A  51
PHE A  24
ARG A  92
 None
None
GYS  A  64 ( 2.9A)
 0.78A 1xdkB-2zo7A:
undetectable		 1xdkB-2zo7A:
20.16
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.
3ahm OLIGOPEPTIDASE

(Geobacillus sp.
MO-1) 		no annotation 3 LEU A 162
PHE A 152
ARG A 171
 None
 0.83A 1xdkB-3ahmA:
undetectable		 1xdkB-3ahmA:
20.18
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.
3axs PROBABLE
N(2),N(2)-DIMETHYLGU
ANOSINE TRNA
METHYLTRANSFERASE
TRM1

(Aquifex
aeolicus) 		PF02005
(TRM) 		3 LEU A 194
PHE A 221
ARG A 182
 None
 0.89A 1xdkB-3axsA:
undetectable		 1xdkB-3axsA:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3boh CADMIUM-SPECIFIC
CARBONIC ANHYDRASE

(Conticribra
weissflogii) 		no annotation 3 LEU A  85
PHE A 136
ARG A  80
 None
 0.80A 1xdkB-3bohA:
undetectable		 1xdkB-3bohA:
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.
3bpo INTERLEUKIN-13
RECEPTOR ALPHA-1
CHAIN

(Homo sapiens) 		PF09240
(IL6Ra-bind) 		3 LEU C 258
PHE C 253
ARG C 225
 LEU  C 258 ( 0.5A)
PHE  C 253 ( 1.3A)
ARG  C 225 ( 0.6A)
 0.76A 1xdkB-3bpoC:
undetectable		 1xdkB-3bpoC:
19.94
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.
3bs5 CONNECTOR ENHANCER
OF KINASE SUPPRESSOR
OF RAS 2
PROTEIN AVEUGLE

(Drosophila
melanogaster;
Homo sapiens) 		PF00536
(SAM_1)
PF07647
(SAM_2) 		3 LEU B 160
PHE B 139
ARG A  61
 None
 0.79A 1xdkB-3bs5B:
undetectable		 1xdkB-3bs5B:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cgl GFP-LIKE FLUORESCENT
CHROMOPROTEIN
DSFP483

(Discosoma
striata) 		PF01353
(GFP) 		3 LEU A  54
PHE A  27
ARG A  95
 None
None
CRQ  A  66 ( 3.0A)
 0.90A 1xdkB-3cglA:
undetectable		 1xdkB-3cglA:
23.00
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.
3cr8 SULFATE
ADENYLYLTRANSFERASE,
ADENYLYLSULFATE
KINASE

(Thiobacillus
denitrificans) 		PF01583
(APS_kinase)
PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		3 LEU A 330
PHE A 335
ARG A 223
 None
 0.84A 1xdkB-3cr8A:
undetectable		 1xdkB-3cr8A:
21.03
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.
3cwc PUTATIVE GLYCERATE
KINASE 2

(Salmonella
enterica) 		PF02595
(Gly_kinase) 		3 LEU A 237
PHE A 260
ARG A 228
 None
 0.82A 1xdkB-3cwcA:
undetectable		 1xdkB-3cwcA:
21.98
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.
3ddd PUTATIVE
ACETYLTRANSFERASE

(Pyrococcus
horikoshii) 		PF00583
(Acetyltransf_1) 		3 LEU A 114
PHE A  89
ARG A 246
 COA  A 300 (-4.1A)
None
None
 0.68A 1xdkB-3dddA:
undetectable		 1xdkB-3dddA:
19.50
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.
3dob HEAT SHOCK 70 KDA
PROTEIN F44E5.5

(Caenorhabditis
elegans) 		PF00012
(HSP70) 		3 LEU A 543
PHE A 429
ARG A 534
 None
 0.87A 1xdkB-3dobA:
undetectable		 1xdkB-3dobA:
18.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eyx CARBONIC ANHYDRASE

(Saccharomyces
cerevisiae) 		PF00484
(Pro_CA) 		3 LEU A  67
PHE A  54
ARG A  61
 None
 0.87A 1xdkB-3eyxA:
undetectable		 1xdkB-3eyxA:
21.14
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.
3f2b DNA-DIRECTED DNA
POLYMERASE III ALPHA
CHAIN

(Geobacillus
kaustophilus) 		PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		3 LEU A1379
PHE A1372
ARG A1429
 None
 0.89A 1xdkB-3f2bA:
undetectable		 1xdkB-3f2bA:
14.49
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.
3f70 LETHAL(3)MALIGNANT
BRAIN TUMOR-LIKE 2
PROTEIN

(Homo sapiens) 		PF02820
(MBT) 		3 LEU A 459
PHE A 428
ARG A 564
 None
 0.83A 1xdkB-3f70A:
undetectable		 1xdkB-3f70A:
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.
3frq REPRESSOR PROTEIN
MPHR(A)

(Escherichia
coli) 		PF00440
(TetR_N) 		3 LEU A  55
PHE A  28
ARG A  47
 None
 0.84A 1xdkB-3frqA:
undetectable		 1xdkB-3frqA:
22.58
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.
3gg4 GLYCEROL KINASE

(Yersinia
pseudotuberculosis) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		3 LEU A 425
PHE A 527
ARG A 388
 None
 0.86A 1xdkB-3gg4A:
undetectable		 1xdkB-3gg4A:
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.
3hoc FILAMIN-A

(Homo sapiens) 		PF00307
(CH) 		3 LEU A 201
PHE A 264
ARG A 226
 None
 0.70A 1xdkB-3hocA:
undetectable		 1xdkB-3hocA:
23.35
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.
3hqf RESTRICTION
ENDONUCLEASE

(Escherichia
coli) 		PF09217
(EcoRII-N) 		3 LEU A  50
PHE A 122
ARG A  98
 None
 0.86A 1xdkB-3hqfA:
undetectable		 1xdkB-3hqfA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3j5y EUKARYOTIC PEPTIDE
CHAIN RELEASE FACTOR
SUBUNIT 1

(Homo sapiens) 		PF03463
(eRF1_1)
PF03464
(eRF1_2)
PF03465
(eRF1_3) 		3 LEU A 212
PHE A 158
ARG A 203
 None
 0.77A 1xdkB-3j5yA:
undetectable		 1xdkB-3j5yA:
21.71
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.
3jcm PRE-MRNA-SPLICING
FACTOR 6

(Saccharomyces
cerevisiae) 		PF06424
(PRP1_N) 		3 LEU G 780
PHE G 781
ARG G 800
 None
 0.76A 1xdkB-3jcmG:
undetectable		 1xdkB-3jcmG:
16.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ksm ABC-TYPE SUGAR
TRANSPORT SYSTEM,
PERIPLASMIC
COMPONENT

(Hahella
chejuensis) 		PF13407
(Peripla_BP_4) 		3 LEU A 170
PHE A 187
ARG A 166
 None
 0.82A 1xdkB-3ksmA:
undetectable		 1xdkB-3ksmA:
23.78
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.
3kzh PROBABLE SUGAR
KINASE

(Clostridium
perfringens) 		PF00294
(PfkB) 		3 LEU A 154
PHE A 163
ARG A 131
 None
 0.89A 1xdkB-3kzhA:
undetectable		 1xdkB-3kzhA:
19.77
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.
3lf4 FLUORESCENT TIMER
PRECURSOR BLUE102

(Discosoma sp.) 		PF01353
(GFP) 		3 LEU A  54
PHE A  27
ARG B  95
 None
None
0YG  B  67 ( 3.0A)
 0.82A 1xdkB-3lf4A:
undetectable		 1xdkB-3lf4A:
10.89