SIMILAR PATTERNS OF AMINO ACIDS FOR 4OKT_A_198A1001

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.
1b0k PROTEIN (ACONITASE)

(Sus scrofa) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		5 LEU A 174
GLY A 175
ARG A 285
THR A 267
ILE A 237
 None
 1.31A 4oktA-1b0kA:
undetectable		 4oktA-1b0kA:
17.15
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.
1eg7 FORMYLTETRAHYDROFOLA
TE SYNTHETASE

(Moorella
thermoacetica) 		PF01268
(FTHFS) 		5 LEU A1524
LEU A1485
GLY A1522
VAL A1226
ILE A1278
 None
 1.35A 4oktA-1eg7A:
undetectable		 4oktA-1eg7A:
18.50
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.
1fok PROTEIN (FOKI
RESTRICTION
ENDONUCLEASE)

(Planomicrobium
okeanokoites) 		PF02980
(FokI_C)
PF02981
(FokI_N)
PF09254
(Endonuc-FokI_C)
PF16902
(Type2_restr_D3) 		5 LEU A 443
GLY A 444
MET A 433
THR A 203
ILE A 215
 None
 1.30A 4oktA-1fokA:
undetectable		 4oktA-1fokA:
18.98
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.
1jhd SULFATE
ADENYLYLTRANSFERASE

(Sulfur-oxidizing
endosymbiont of
Riftia
pachyptila) 		PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		6 LEU A 230
LEU A 229
GLN A 199
VAL A 226
ARG A 284
ILE A 238
 None
None
BR  A2008 (-4.0A)
None
None
None
 1.45A 4oktA-1jhdA:
undetectable		 4oktA-1jhdA:
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.
1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE

(Bacillus
subtilis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 LEU A 247
LEU A 244
GLY A 245
MET A 232
THR A 224
 None
 1.32A 4oktA-1mdfA:
undetectable		 4oktA-1mdfA:
17.80
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.
1qax PROTEIN
(3-HYDROXY-3-METHYLG
LUTARYL-COENZYME A
REDUCTASE)

(Pseudomonas
mevalonii) 		PF00368
(HMG-CoA_red) 		5 GLY A 290
MET A 323
VAL A 325
MET A 185
ILE A 269
 None
 1.41A 4oktA-1qaxA:
undetectable		 4oktA-1qaxA:
19.95
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.
1ql4 CYTOCHROME C552

(Paracoccus
denitrificans) 		PF00034
(Cytochrom_C) 		5 LEU A  30
GLY A  32
VAL A  38
MET A  50
ILE A  93
 HEC  A 101 ( 4.6A)
None
HEC  A 101 ( 4.1A)
HEC  A 101 (-4.4A)
None
 1.29A 4oktA-1ql4A:
undetectable		 4oktA-1ql4A:
19.01
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.
1t5o TRANSLATION
INITIATION FACTOR
EIF2B, SUBUNIT DELTA

(Archaeoglobus
fulgidus) 		PF01008
(IF-2B) 		5 LEU A 168
GLY A 165
ARG A  45
MET A 136
ILE A 321
 None
 1.33A 4oktA-1t5oA:
undetectable		 4oktA-1t5oA:
20.89
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.
1tqh CARBOXYLESTERASE
PRECURSOR

(Geobacillus
stearothermophilus) 		PF12146
(Hydrolase_4) 		5 LEU A  22
GLY A  96
MET A 115
VAL A 113
THR A 226
 None
 1.30A 4oktA-1tqhA:
undetectable		 4oktA-1tqhA:
23.62
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.
1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE

(Escherichia
coli) 		PF12697
(Abhydrolase_6) 		5 LEU A 106
LEU A  37
GLY A 113
THR A 227
ILE A 229
 None
 1.23A 4oktA-1u2eA:
undetectable		 4oktA-1u2eA:
23.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vjv UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 6

(Saccharomyces
cerevisiae) 		PF00443
(UCH) 		5 LEU A 277
LEU A 280
GLY A 279
THR A 269
ILE A 265
 None
 1.34A 4oktA-1vjvA:
undetectable		 4oktA-1vjvA:
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.
1w61 B-CELL MITOGEN

(Trypanosoma
cruzi) 		PF05544
(Pro_racemase) 		5 LEU A 160
LEU A 116
GLY A 117
MET A  51
MET A  73
 None
 1.40A 4oktA-1w61A:
undetectable		 4oktA-1w61A:
18.38
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.
1weh CONSERVED
HYPOTHETICAL PROTEIN
TT1887

(Thermus
thermophilus) 		PF03641
(Lysine_decarbox) 		5 LEU A   4
LEU A  36
GLY A  35
VAL A  28
MET A   1
 None
 1.03A 4oktA-1wehA:
undetectable		 4oktA-1wehA:
19.92
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.
1xb7 STEROID HORMONE
RECEPTOR ERR1

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 324
LEU A 327
MET A 362
VAL A 366
ARG A 372
 None
 0.53A 4oktA-1xb7A:
26.4		 4oktA-1xb7A:
23.53
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.
1y2f CELL DIVISION
PROTEIN ZIPA

(Escherichia
coli) 		PF04354
(ZipA_C) 		5 LEU A  23
LEU A  28
GLY A  25
VAL A  65
MET A  64
 None
 1.26A 4oktA-1y2fA:
undetectable		 4oktA-1y2fA:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a1x PHYTANOYL-COA
DIOXYGENASE

(Homo sapiens) 		PF05721
(PhyH) 		5 LEU A 206
GLY A 265
ARG A 275
MET A 157
ILE A 236
 None
None
AKG  A 451 (-3.2A)
AKG  A 451 (-3.3A)
None
 1.39A 4oktA-2a1xA:
undetectable		 4oktA-2a1xA:
21.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ax9 ANDROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		12 LEU A 704
LEU A 707
GLY A 708
GLN A 711
MET A 742
VAL A 746
MET A 749
ARG A 752
MET A 787
THR A 877
MET A 895
ILE A 899
 BHM  A   1 (-4.0A)
BHM  A   1 ( 4.2A)
BHM  A   1 ( 3.8A)
BHM  A   1 (-2.2A)
BHM  A   1 ( 4.0A)
BHM  A   1 (-3.6A)
BHM  A   1 (-4.3A)
BHM  A   1 (-3.8A)
BHM  A   1 (-3.6A)
BHM  A   1 (-3.0A)
None
None
 0.45A 4oktA-2ax9A:
41.6		 4oktA-2ax9A:
99.20
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.
2de2 DIBENZOTHIOPHENE
DESULFURIZATION
ENZYME B

(Rhodococcus sp.
IGTS8) 		no annotation 5 LEU A 281
GLY A 280
VAL A 273
ARG A 363
THR A  95
 None
 1.08A 4oktA-2de2A:
undetectable		 4oktA-2de2A:
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.
2gv9 DNA POLYMERASE

(Human
alphaherpesvirus
1) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 LEU A 397
GLY A 586
GLN A 587
ARG A 430
ILE A 467
 None
 1.20A 4oktA-2gv9A:
undetectable		 4oktA-2gv9A:
11.70
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.
2i54 PHOSPHOMANNOMUTASE

(Leishmania
mexicana) 		PF03332
(PMM) 		5 LEU A   7
LEU A  40
GLY A  41
THR A 224
ILE A 218
 None
 1.33A 4oktA-2i54A:
undetectable		 4oktA-2i54A:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nv0 GLUTAMINE
AMIDOTRANSFERASE
SUBUNIT PDXT

(Bacillus
subtilis) 		PF01174
(SNO) 		5 LEU A  85
LEU A  82
GLY A  81
MET A  52
ILE A  56
 None
 1.41A 4oktA-2nv0A:
undetectable		 4oktA-2nv0A:
20.41
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.
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N) 		5 LEU A 107
LEU A 108
GLY A 104
VAL A 219
ILE A 499
 None
 1.06A 4oktA-2nz9A:
undetectable		 4oktA-2nz9A:
10.69
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.
2pl3 PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX10

(Homo sapiens) 		PF00270
(DEAD) 		5 GLY A 101
VAL A 127
ARG A 133
MET A 218
ILE A  95
 None
 1.24A 4oktA-2pl3A:
undetectable		 4oktA-2pl3A:
21.54
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.
2psy KALLIKREIN-5

(Homo sapiens) 		PF00089
(Trypsin) 		5 LEU A 155
GLY A 140
GLN A  30
VAL A 199
ILE A  17
 None
 1.22A 4oktA-2psyA:
undetectable		 4oktA-2psyA:
23.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2q3y ANCESTRAL CORTICIOD
RECEPTOR

(unidentified) 		PF00104
(Hormone_recep) 		7 LEU A  32
LEU A  35
GLN A  39
MET A  70
ARG A  80
MET A 115
ILE A 227
 1CA  A 247 (-4.0A)
1CA  A 247 ( 4.4A)
1CA  A 247 (-3.1A)
1CA  A 247 ( 3.8A)
1CA  A 247 (-3.8A)
1CA  A 247 ( 3.7A)
None
 0.64A 4oktA-2q3yA:
36.8		 4oktA-2q3yA:
59.04
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.
2qp2 UNKNOWN PROTEIN

(Photorhabdus
laumondii) 		PF01823
(MACPF) 		5 LEU A 203
GLY A 205
MET A 208
VAL A 314
ILE A  93
 None
 1.33A 4oktA-2qp2A:
undetectable		 4oktA-2qp2A:
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.
2qs8 XAA-PRO DIPEPTIDASE

(Alteromonas
macleodii) 		PF01979
(Amidohydro_1) 		5 LEU A  62
LEU A  65
GLY A  64
VAL A 402
ILE A  37
 None
 1.02A 4oktA-2qs8A:
undetectable		 4oktA-2qs8A:
19.15
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.
2w37 ORNITHINE
CARBAMOYLTRANSFERASE
, CATABOLIC

(Lactobacillus
hilgardii) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 LEU A 163
GLY A 181
MET A 144
VAL A 173
ILE A  30
 None
 1.31A 4oktA-2w37A:
undetectable		 4oktA-2w37A:
18.29
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.
2wtg GLOBIN-LIKE PROTEIN

(Caenorhabditis
elegans) 		PF00042
(Globin) 		5 LEU A  80
LEU A 139
GLY A 140
ARG A   5
MET A 112
 HEM  A 180 (-4.7A)
None
None
None
None
 1.38A 4oktA-2wtgA:
undetectable		 4oktA-2wtgA:
19.46
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.
2ww9 PROTEIN TRANSPORT
PROTEIN SSS1
SEC SIXTY-ONE
PROTEIN HOMOLOG

(Saccharomyces
cerevisiae) 		PF00344
(SecY)
PF00584
(SecE)
PF10559
(Plug_translocon) 		5 LEU A 464
GLY A 460
VAL B  54
MET A 182
ILE A 183
 None
 1.35A 4oktA-2ww9A:
undetectable		 4oktA-2ww9A:
19.21
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.
2ww9 SEC SIXTY-ONE
PROTEIN HOMOLOG

(Saccharomyces
cerevisiae) 		PF00344
(SecY)
PF10559
(Plug_translocon) 		5 LEU A 464
GLY A 460
GLN A 264
MET A 182
ILE A 183
 None
 1.12A 4oktA-2ww9A:
undetectable		 4oktA-2ww9A:
19.21
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.
3aqp PROBABLE SECDF
PROTEIN-EXPORT
MEMBRANE PROTEIN

(Thermus
thermophilus) 		PF02355
(SecD_SecF)
PF07549
(Sec_GG) 		5 LEU A 335
LEU A 331
GLY A 330
VAL A 407
THR A 679
 None
 1.34A 4oktA-3aqpA:
undetectable		 4oktA-3aqpA:
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.
3b3l KETOHEXOKINASE

(Homo sapiens) 		PF00294
(PfkB) 		5 LEU A 254
GLY A 293
GLN A 292
VAL A 250
THR A 259
 None
 1.27A 4oktA-3b3lA:
undetectable		 4oktA-3b3lA:
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.
3bz6 UPF0502 PROTEIN
PSPTO_2686

(Pseudomonas
syringae group
genomosp. 3) 		PF04337
(DUF480) 		5 LEU A 116
GLY A 118
GLN A 120
MET A 132
ILE A 172
 None
 1.21A 4oktA-3bz6A:
undetectable		 4oktA-3bz6A:
21.22
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.
3cbg O-METHYLTRANSFERASE

(Synechocystis
sp. PCC 6803) 		PF01596
(Methyltransf_3) 		5 LEU A 160
LEU A 157
GLY A 156
VAL A 167
ILE A  89
 None
 1.07A 4oktA-3cbgA:
undetectable		 4oktA-3cbgA:
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.
3ceb D-AMINOACID
AMINOTRANSFERASE-LIK
E PLP-DEPENDENT
ENZYME

(Histophilus
somni) 		PF01063
(Aminotran_4) 		5 LEU A 154
GLY A 156
ARG A 106
THR A 148
ILE A 168
 LLP  A 102 ( 4.2A)
LLP  A 102 ( 3.3A)
LLP  A 102 (-3.1A)
None
None
 1.23A 4oktA-3cebA:
undetectable		 4oktA-3cebA:
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.
3cgd PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE,
CLASS I

(Bacillus
anthracis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 LEU A 342
LEU A 388
GLN A 386
VAL A 289
ILE A 402
 None
 1.24A 4oktA-3cgdA:
undetectable		 4oktA-3cgdA:
17.95
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.
3e3m TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY

(Ruegeria
pomeroyi) 		PF13377
(Peripla_BP_3) 		5 LEU A  75
LEU A  74
VAL A  71
THR A  86
ILE A 306
 None
 1.28A 4oktA-3e3mA:
undetectable		 4oktA-3e3mA:
22.04
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.
3fhh OUTER MEMBRANE HEME
RECEPTOR SHUA

(Shigella
dysenteriae) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 GLY A  58
GLN A  59
ARG A  43
THR A 244
ILE A 276
 None
 1.40A 4oktA-3fhhA:
undetectable		 4oktA-3fhhA:
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.
3h6e CARBOHYDRATE KINASE,
FGGY

(Novosphingobium
aromaticivorans) 		PF00370
(FGGY_N) 		5 LEU A  87
LEU A  82
GLY A  85
VAL A 141
MET A 142
 None
 1.37A 4oktA-3h6eA:
undetectable		 4oktA-3h6eA:
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.
3hf8 TRYPTOPHAN
5-HYDROXYLASE 1

(Homo sapiens) 		PF00351
(Biopterin_H) 		5 LEU A 298
LEU A 295
GLY A 294
GLN A 291
VAL A 249
 None
 1.24A 4oktA-3hf8A:
undetectable		 4oktA-3hf8A:
21.18
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.
3hn2 2-DEHYDROPANTOATE
2-REDUCTASE

(Geobacter
metallireducens) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		5 LEU A 197
LEU A 194
GLY A 193
THR A 301
MET A 257
 None
 1.14A 4oktA-3hn2A:
undetectable		 4oktA-3hn2A:
19.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kba PROGESTERONE
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		8 LEU A 718
LEU A 721
GLY A 722
MET A 756
VAL A 760
ARG A 766
MET A 801
ILE A 913
 WOW  A   1 (-4.2A)
WOW  A   1 ( 4.3A)
WOW  A   1 ( 4.3A)
WOW  A   1 ( 4.1A)
WOW  A   1 (-4.1A)
WOW  A   1 (-3.8A)
WOW  A   1 (-4.2A)
None
 0.73A 4oktA-3kbaA:
34.5		 4oktA-3kbaA:
54.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kba PROGESTERONE
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		7 LEU A 718
LEU A 721
GLY A 722
MET A 756
VAL A 760
ARG A 766
MET A 909
 WOW  A   1 (-4.2A)
WOW  A   1 ( 4.3A)
WOW  A   1 ( 4.3A)
WOW  A   1 ( 4.1A)
WOW  A   1 (-4.1A)
WOW  A   1 (-3.8A)
None
 1.08A 4oktA-3kbaA:
34.5		 4oktA-3kbaA:
54.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kba PROGESTERONE
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		8 LEU A 721
GLY A 722
GLN A 725
MET A 756
VAL A 760
ARG A 766
MET A 801
ILE A 913
 WOW  A   1 ( 4.3A)
WOW  A   1 ( 4.3A)
WOW  A   1 ( 4.1A)
WOW  A   1 ( 4.1A)
WOW  A   1 (-4.1A)
WOW  A   1 (-3.8A)
WOW  A   1 (-4.2A)
None
 0.85A 4oktA-3kbaA:
34.5		 4oktA-3kbaA:
54.76
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.
3khk TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLATION SUBUNIT

(Methanosarcina
mazei) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		5 LEU A  42
LEU A  39
GLY A  38
MET A 300
ILE A 160
 None
 1.24A 4oktA-3khkA:
undetectable		 4oktA-3khkA:
16.91
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.
3ktd PREPHENATE
DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF02153
(PDH) 		5 LEU A  15
GLY A  14
VAL A  10
MET A 173
ILE A  80
 None
 1.40A 4oktA-3ktdA:
undetectable		 4oktA-3ktdA:
19.71
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.
3l06 N-ACETYLORNITHINE
CARBAMOYLTRANSFERASE

(Xanthomonas
campestris) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 LEU A  58
GLY A  59
GLN A  62
MET A 330
ILE A 329
 None
 1.16A 4oktA-3l06A:
undetectable		 4oktA-3l06A:
22.41
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.
3m1a PUTATIVE
DEHYDROGENASE

(Streptomyces
avermitilis) 		PF00106
(adh_short) 		5 LEU A  74
GLN A 124
VAL A  82
ARG A 128
THR A  35
 None
 1.09A 4oktA-3m1aA:
undetectable		 4oktA-3m1aA:
22.62
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.
3oht P38A

(Salmo salar) 		PF00069
(Pkinase) 		5 LEU A  87
LEU A  76
GLY A  86
VAL A  53
THR A 351
 None
1N1  A1000 (-4.7A)
None
None
None
 1.41A 4oktA-3ohtA:
undetectable		 4oktA-3ohtA:
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.
3omb EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, FAMILY 1

(Bifidobacterium
longum) 		PF01547
(SBP_bac_1) 		5 LEU A 421
LEU A 417
GLY A 416
GLN A  51
ILE A 390
 None
 1.26A 4oktA-3ombA:
undetectable		 4oktA-3ombA:
17.79
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.
3omn CYTOCHROME C
OXIDASE, AA3 TYPE,
SUBUNIT I

(Rhodobacter
sphaeroides) 		PF00115
(COX1) 		5 LEU A  39
LEU A  42
GLY A  41
THR A 150
MET A 106
 None
None
HEA  A   1 ( 4.1A)
None
HEA  A   1 (-3.8A)
 1.32A 4oktA-3omnA:
undetectable		 4oktA-3omnA:
17.20
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.
3oql TENA HOMOLOG

(Pseudomonas
syringae group
genomosp. 3) 		PF14518
(Haem_oxygenas_2) 		5 GLY A  61
MET A  54
MET A  44
THR A 162
ILE A 158
 None
 1.13A 4oktA-3oqlA:
undetectable		 4oktA-3oqlA:
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.
3pdw UNCHARACTERIZED
HYDROLASE YUTF

(Bacillus
subtilis) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		5 LEU A  13
GLY A  15
VAL A 206
MET A 205
ILE A  24
 None
GOL  A 268 (-3.2A)
None
None
None
 1.41A 4oktA-3pdwA:
undetectable		 4oktA-3pdwA:
20.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ry9 ANCESTRAL
GLUCOCORTICOID
RECEPTOR 1

(synthetic
construct) 		PF00104
(Hormone_recep) 		8 LEU A  32
LEU A  35
GLY A  36
GLN A  39
MET A  70
ARG A  80
MET A 115
ILE A 227
 1CA  A 249 (-3.9A)
1CA  A 249 ( 4.4A)
1CA  A 249 ( 4.0A)
1CA  A 249 (-3.0A)
1CA  A 249 ( 3.8A)
1CA  A 249 (-3.5A)
1CA  A 249 (-3.6A)
None
 0.67A 4oktA-3ry9A:
35.8		 4oktA-3ry9A:
54.80
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.
3un6 HYPOTHETICAL PROTEIN
SAOUHSC_00137

(Staphylococcus
aureus) 		PF13379
(NMT1_2) 		5 LEU A  82
LEU A  78
GLY A  40
VAL A 222
ILE A  37
 None
 1.24A 4oktA-3un6A:
undetectable		 4oktA-3un6A:
22.89
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.
3va7 KLLA0E08119P

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 GLN A 916
MET A 834
VAL A 895
MET A 934
ILE A 937
 GOL  A1904 (-4.5A)
None
None
GOL  A1905 (-4.1A)
None
 1.09A 4oktA-3va7A:
undetectable		 4oktA-3va7A:
11.24
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.
3wev L-LYSINE 6-OXIDASE

(Marinomonas
mediterranea) 		no annotation 5 LEU A 196
GLY A 198
VAL A  11
MET A 244
ILE A  56
 None
 1.29A 4oktA-3wevA:
undetectable		 4oktA-3wevA:
16.18
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.
3wxw ADIPONECTIN RECEPTOR
PROTEIN 2

(Homo sapiens) 		PF03006
(HlyIII) 		5 LEU A 189
LEU A 186
GLY A 185
MET A 167
ILE A 164
 None
 1.40A 4oktA-3wxwA:
undetectable		 4oktA-3wxwA:
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.
4a9a RIBOSOME-INTERACTING
GTPASE 1

(Saccharomyces
cerevisiae) 		PF01926
(MMR_HSR1)
PF02824
(TGS)
PF16897
(MMR_HSR1_Xtn) 		5 LEU A 145
LEU A 146
GLY A  69
VAL A 248
ILE A 107
 None
 1.34A 4oktA-4a9aA:
undetectable		 4oktA-4a9aA:
22.22
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.
4bxs VENOM PROTHROMBIN
ACTIVATOR
PSEUTARIN-C
NON-CATALYTIC
SUBUNIT

(Pseudonaja
textilis) 		PF00754
(F5_F8_type_C)
PF07732
(Cu-oxidase_3) 		5 LEU V 981
LEU V1040
VAL V1036
MET V1084
ILE V 858
 None
 1.19A 4oktA-4bxsV:
undetectable		 4oktA-4bxsV:
10.20
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.
4c4a PROTEIN ARGININE
N-METHYLTRANSFERASE
7

(Mus musculus) 		PF06325
(PrmA) 		5 LEU A  78
LEU A  77
GLY A  76
VAL A  83
ILE A  93
 SAH  A1689 (-4.5A)
SAH  A1689 ( 4.5A)
None
None
SAH  A1689 ( 4.8A)
 1.38A 4oktA-4c4aA:
undetectable		 4oktA-4c4aA:
15.64
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.
4cnk L-AMINO ACID OXIDASE

(Streptococcus
cristatus) 		PF03486
(HI0933_like) 		5 LEU A  61
LEU A  58
VAL A  75
THR A  53
ILE A  85
 None
 1.30A 4oktA-4cnkA:
undetectable		 4oktA-4cnkA:
21.78
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.
4fdg MINICHROMOSOME
MAINTENANCE PROTEIN
MCM

(Sulfolobus
solfataricus) 		no annotation 5 LEU B 120
GLY B 118
MET B 257
VAL B 259
ILE B 112
 None
 1.32A 4oktA-4fdgB:
undetectable		 4oktA-4fdgB:
17.12
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.
4ge0 UNCHARACTERIZED
PROTEIN C22E12.03C

(Schizosaccharomyces
pombe) 		PF01965
(DJ-1_PfpI) 		5 LEU A   6
VAL A  44
MET A  46
MET A  52
ILE A  61
 None
 1.36A 4oktA-4ge0A:
undetectable		 4oktA-4ge0A:
21.96
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.
4j35 PHOSPHOTRIESTERASE,
PUTATIVE

(Deinococcus
radiodurans) 		PF02126
(PTE) 		5 LEU A 190
LEU A 193
GLY A 194
VAL A 165
MET A 124
 None
 1.28A 4oktA-4j35A:
undetectable		 4oktA-4j35A:
23.01
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.
4k17 LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 16A

(Mus musculus) 		PF13516
(LRR_6) 		5 LEU A  48
VAL A  32
MET A  97
MET A  95
ILE A  20
 None
 1.16A 4oktA-4k17A:
undetectable		 4oktA-4k17A:
16.85
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.
4k6n AMINODEOXYCHORISMATE
LYASE

(Saccharomyces
cerevisiae) 		PF01063
(Aminotran_4) 		5 LEU A 326
GLY A 328
ARG A 255
THR A 318
ILE A 340
 PLP  A 500 (-4.1A)
PLP  A 500 (-3.4A)
PLP  A 500 (-3.0A)
None
None
 1.27A 4oktA-4k6nA:
undetectable		 4oktA-4k6nA:
22.34
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.
4llf CAPSID PROTEIN

(Cucumber
necrosis virus) 		PF00729
(Viral_coat) 		5 LEU A 159
GLY A 244
VAL A 102
THR A 202
ILE A 196
 None
 1.33A 4oktA-4llfA:
undetectable		 4oktA-4llfA:
19.79
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.
4o2l GTP-BINDING PROTEIN
RHEB

(Mus musculus) 		PF00071
(Ras) 		5 LEU A  83
LEU A  12
GLY A  13
GLN A  64
VAL A  98
 None
 1.40A 4oktA-4o2lA:
undetectable		 4oktA-4o2lA:
19.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p6w GLUCOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		7 LEU A 563
LEU A 566
GLY A 567
GLN A 570
MET A 601
ARG A 611
ILE A 757
 MOF  A 801 (-3.9A)
MOF  A 801 ( 4.6A)
MOF  A 801 (-3.4A)
MOF  A 801 (-2.9A)
MOF  A 801 (-3.7A)
MOF  A 801 (-4.2A)
None
 0.89A 4oktA-4p6wA:
32.4		 4oktA-4p6wA:
50.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p6w GLUCOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		7 LEU A 563
LEU A 566
GLY A 567
GLN A 570
MET A 601
ARG A 611
MET A 646
 MOF  A 801 (-3.9A)
MOF  A 801 ( 4.6A)
MOF  A 801 (-3.4A)
MOF  A 801 (-2.9A)
MOF  A 801 (-3.7A)
MOF  A 801 (-4.2A)
MOF  A 801 (-4.4A)
 1.01A 4oktA-4p6wA:
32.4		 4oktA-4p6wA:
50.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qiw DNA-DIRECTED RNA
POLYMERASE

(Thermococcus
kodakarensis) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		5 LEU B 354
LEU B 355
GLY B 352
VAL B 167
ILE B 489
 None
 1.30A 4oktA-4qiwB:
undetectable		 4oktA-4qiwB:
13.83
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.
4rk2 PUTATIVE SUGAR ABC
TRANSPORTER,
SUBSTRATE-BINDING
PROTEIN

(Rhizobium etli) 		PF01547
(SBP_bac_1) 		6 LEU A 413
LEU A 223
GLN A 204
VAL A 394
THR A 407
MET A 403
 None
 1.50A 4oktA-4rk2A:
undetectable		 4oktA-4rk2A:
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.
4toq CLASS III CHITINASE

(Punica granatum) 		PF00704
(Glyco_hydro_18) 		5 GLY A   8
GLN A   9
MET A  76
VAL A  33
ILE A  64
 None
 1.25A 4oktA-4toqA:
undetectable		 4oktA-4toqA:
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.
4tqo METHANOL
DEHYDROGENASE
PROTEIN, LARGE
SUBUNIT

(Methylococcus
capsulatus) 		no annotation 5 LEU B  87
LEU B 139
GLY B 138
THR B  46
ILE B 424
 None
 1.31A 4oktA-4tqoB:
undetectable		 4oktA-4tqoB:
17.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4udb MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		7 LEU A 769
LEU A 772
GLN A 776
MET A 807
ARG A 817
MET A 852
ILE A 964
 CV7  A1987 (-4.1A)
CV7  A1987 ( 4.5A)
CV7  A1987 (-3.0A)
CV7  A1987 ( 3.9A)
CV7  A1987 (-3.7A)
CV7  A1987 ( 3.7A)
None
 0.82A 4oktA-4udbA:
33.1		 4oktA-4udbA:
52.17
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.
4wwj TENA/THI-4 FAMILY
PROTEIN

(Pseudomonas
protegens) 		PF14518
(Haem_oxygenas_2) 		5 GLY A  61
MET A  54
MET A  44
THR A 162
ILE A 158
 GOL  A 304 ( 3.4A)
None
None
GOL  A 304 ( 3.0A)
GOL  A 304 (-4.7A)
 1.15A 4oktA-4wwjA:
2.9		 4oktA-4wwjA:
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.
4yr8 DUAL SPECIFICITY
PROTEIN PHOSPHATASE
16

(Homo sapiens) 		no annotation 5 LEU G 267
LEU G 292
GLY G 289
THR G 253
ILE G 219
 None
 1.30A 4oktA-4yr8G:
undetectable		 4oktA-4yr8G:
20.70
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.
4zpi PUTATIVE
OXIDASE/HYDROXYLASE

(Streptomyces
hygroscopicus) 		PF05721
(PhyH) 		5 LEU A 200
LEU A 139
ARG A 217
THR A  15
ILE A  11
 None
 1.24A 4oktA-4zpiA:
undetectable		 4oktA-4zpiA:
22.89
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.
5a6b N-ACETYL-BETA-D-GLUC
OSAMINIDASE

(Streptococcus
pneumoniae) 		PF00728
(Glyco_hydro_20) 		5 LEU D 565
LEU D 566
GLY D 564
VAL D 558
ILE D 623
 None
 1.40A 4oktA-5a6bD:
undetectable		 4oktA-5a6bD:
16.25
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.
5aby EUKARYOTIC
TRANSLATION
INITIATION FACTOR
4E-3

(Caenorhabditis
elegans) 		PF01652
(IF4E) 		5 LEU A 215
GLY A 178
GLN A 179
THR A 165
ILE A 147
 None
 1.31A 4oktA-5abyA:
undetectable		 4oktA-5abyA:
22.01
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.
5eso 2-SUCCINYL-5-ENOLPYR
UVYL-6-HYDROXY-3-CYC
LOHEXENE-1-CARBOXYLA
TE SYNTHASE

(Mycobacterium
tuberculosis) 		PF02776
(TPP_enzyme_N) 		5 LEU A 416
LEU A  65
GLY A  64
VAL A 408
THR A 434
 None
 1.41A 4oktA-5esoA:
undetectable		 4oktA-5esoA:
17.19
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.
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) 		5 GLN A 916
MET A 834
VAL A 895
MET A 934
ILE A 937
 None
 1.11A 4oktA-5i8iA:
undetectable		 4oktA-5i8iA:
8.68
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.
5ip9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Saccharomyces
cerevisiae) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		5 LEU B 412
LEU B 413
GLY B 410
VAL B 211
ILE B 545
 None
 1.30A 4oktA-5ip9B:
undetectable		 4oktA-5ip9B:
11.54
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.
5jd6 MGS-MCHE2

(uncultured
bacterium) 		PF00561
(Abhydrolase_1) 		5 LEU A  87
LEU A  25
GLY A  89
THR A 195
ILE A 197
 None
 1.34A 4oktA-5jd6A:
undetectable		 4oktA-5jd6A:
21.84
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.
5jd6 MGS-MCHE2

(uncultured
bacterium) 		PF00561
(Abhydrolase_1) 		5 LEU A  87
LEU A  25
GLY A  94
THR A 195
ILE A 197
 None
 1.13A 4oktA-5jd6A:
undetectable		 4oktA-5jd6A:
21.84
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.
5m6p TYROCIDINE SYNTHASE
2

(Brevibacillus
parabrevis) 		no annotation 5 LEU A3550
LEU A3551
GLY A3552
THR A3374
ILE A3434
 None
 1.26A 4oktA-5m6pA:
undetectable		 4oktA-5m6pA:
16.97
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.
5mq6 PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE-LIKE
PROTEIN

(Thermothelomyces
thermophila) 		PF07992
(Pyr_redox_2) 		5 LEU A 334
GLN A 348
VAL A 352
MET A 351
ILE A 366
 None
 1.40A 4oktA-5mq6A:
undetectable		 4oktA-5mq6A:
16.18
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.
5mwp MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		no annotation 7 LEU A 769
LEU A 772
GLN A 776
MET A 807
ARG A 817
MET A 852
ILE A 964
 ECV  A1101 (-4.7A)
ECV  A1101 ( 3.9A)
ECV  A1101 (-2.9A)
ECV  A1101 (-3.6A)
ECV  A1101 (-4.0A)
ECV  A1101 (-3.7A)
None
 0.92A 4oktA-5mwpA:
35.9		 4oktA-5mwpA:
21.15
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.
5nlm INDOXYL
UDP-GLUCOSYLTRANSFER
ASE

(Persicaria
tinctoria) 		no annotation 5 LEU A 306
LEU A 347
GLY A 346
VAL A 309
ILE A 429
 None
 1.40A 4oktA-5nlmA:
undetectable		 4oktA-5nlmA:
16.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5uc1 GLUCOCORTICOID
RECEPTOR

(Heterocephalus
glaber) 		no annotation 6 LEU A 559
GLY A 563
GLN A 566
MET A 597
ARG A 607
MET A 642
 486  A 801 (-4.7A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 (-3.5A)
486  A 801 ( 3.8A)
 0.98A 4oktA-5uc1A:
22.9		 4oktA-5uc1A:
30.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5uc1 GLUCOCORTICOID
RECEPTOR

(Heterocephalus
glaber) 		no annotation 6 LEU A 559
LEU A 562
GLY A 563
GLN A 566
ARG A 607
MET A 642
 486  A 801 (-4.7A)
486  A 801 ( 4.8A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
486  A 801 (-3.5A)
486  A 801 ( 3.8A)
 0.70A 4oktA-5uc1A:
22.9		 4oktA-5uc1A:
30.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ufs ANCESTRAL
GLUCOCORTICOID
RECEPTOR2

(unidentified) 		PF00104
(Hormone_recep) 		5 GLY A  37
GLN A  39
MET A  70
ARG A  80
ILE A 226
 None
1TA  A 301 (-3.0A)
1TA  A 301 ( 3.1A)
1TA  A 301 (-3.5A)
None
 1.04A 4oktA-5ufsA:
34.7		 4oktA-5ufsA:
54.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ufs ANCESTRAL
GLUCOCORTICOID
RECEPTOR2

(unidentified) 		PF00104
(Hormone_recep) 		8 LEU A  32
LEU A  35
GLY A  36
GLN A  39
MET A  70
ARG A  80
MET A 115
ILE A 226
 1TA  A 301 (-3.5A)
1TA  A 301 ( 3.6A)
1TA  A 301 (-2.9A)
1TA  A 301 (-3.0A)
1TA  A 301 ( 3.1A)
1TA  A 301 (-3.5A)
1TA  A 301 ( 2.8A)
None
 0.85A 4oktA-5ufsA:
34.7		 4oktA-5ufsA:
54.58
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.
5xtc NADH DEHYDROGENASE
[UBIQUINONE] 1 BETA
SUBCOMPLEX SUBUNIT
5, MITOCHONDRIAL
NADH DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR PROTEIN
5
NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
2
NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
4L

(Homo sapiens) 		no annotation 5 LEU h  18
LEU k  55
GLN h  25
THR i  85
ILE a 174
 None
 1.39A 4oktA-5xtch:
undetectable		 4oktA-5xtch:
18.03
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.
6a91 -

(-) 		no annotation 5 LEU A 698
GLY A 728
VAL A 644
MET A 645
ILE A 411
 None
 0.99A 4oktA-6a91A:
undetectable		 4oktA-6a91A:
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.
6a91 -

(-) 		no annotation 5 LEU A 733
LEU A 698
GLY A 728
VAL A 644
MET A 645
 None
 1.09A 4oktA-6a91A:
undetectable		 4oktA-6a91A:
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.
6bk1 UDP-GLYCOSYLTRANSFER
ASE 79

(Oryza sativa) 		no annotation 5 LEU A 315
LEU A 339
GLY A 338
VAL A 318
ILE A 420
 None
 1.27A 4oktA-6bk1A:
undetectable		 4oktA-6bk1A:
14.47
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.
6cfw MONOVALENT CATION/H+
ANTIPORTER SUBUNIT D

(Pyrococcus
furiosus) 		no annotation 5 LEU H 223
LEU H 222
GLY H 259
VAL H 267
ILE H 320
 None
 1.36A 4oktA-6cfwH:
undetectable		 4oktA-6cfwH:
15.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vyv CALCIUM CHANNEL
BETA-4SUBUNIT

(Rattus
norvegicus) 		PF00625
(Guanylate_kin)
PF12052
(VGCC_beta4Aa_N) 		4 ASN A 381
MET A 237
LEU A 378
HIS A 332
 None
 1.15A 4oktA-1vyvA:
0.0		 4oktA-1vyvA:
21.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ax9 ANDROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		4 ASN A 705
MET A 745
LEU A 873
HIS A 874
 BHM  A   1 (-3.6A)
BHM  A   1 (-3.9A)
BHM  A   1 (-4.4A)
None
 0.30A 4oktA-2ax9A:
41.6		 4oktA-2ax9A:
99.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kba PROGESTERONE
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		4 ASN A 719
MET A 759
LEU A 887
HIS A 888
 WOW  A   1 (-3.3A)
WOW  A   1 (-3.7A)
WOW  A   1 (-4.0A)
None
 0.84A 4oktA-3kbaA:
34.5		 4oktA-3kbaA:
54.76
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.
3kom TRANSKETOLASE

(Francisella
tularensis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 ASN A  91
MET A  71
LEU A  84
HIS A  78
 None
 1.31A 4oktA-3komA:
0.0		 4oktA-3komA:
18.38
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.
3uk1 TRANSKETOLASE

(Burkholderia
thailandensis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 ASN A 109
MET A  89
LEU A 102
HIS A  96
 None
 1.31A 4oktA-3uk1A:
0.0		 4oktA-3uk1A:
16.16
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.
4xeu TRANSKETOLASE

(Pseudomonas
aeruginosa) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 ASN A  89
MET A  69
LEU A  82
HIS A  76
 None
 1.26A 4oktA-4xeuA:
0.0		 4oktA-4xeuA:
16.97
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.
4y23 GAMMA GLUTAMYL
TRANSPEPTIDASE,GAMMA
-GLUTAMYLTRANSPEPTID
ASE

(Bacillus
licheniformis) 		PF01019
(G_glu_transpept) 		4 ASN A 550
MET A  83
LEU A  77
HIS A  49
 None
 1.41A 4oktA-4y23A:
0.0		 4oktA-4y23A:
17.24
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.
5vrb TRANSKETOLASE

(Neisseria
gonorrhoeae) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 ASN A  86
MET A  66
LEU A  79
HIS A  73
 None
 1.27A 4oktA-5vrbA:
0.0		 4oktA-5vrbA:
16.54
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.
6eu6 AMMONIUM TRANSPORTER

(Candidatus
Kuenenia
stuttgartiensis) 		no annotation 4 ASN A 224
MET A  23
LEU A 274
HIS A 326
 None
 1.23A 4oktA-6eu6A:
0.0		 4oktA-6eu6A:
14.29