SIMILAR PATTERNS OF AMINO ACIDS FOR 1QKN_A_RALA600_1

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.
1b4b ARGININE REPRESSOR

(Geobacillus
stearothermophilus) 		PF02863
(Arg_repressor_C) 		6 LEU A  96
THR A 127
ALA A 103
LEU A 109
ILE A 118
GLY A 120
 None
 1.08A 1qknA-1b4bA:
undetectable		 1qknA-1b4bA:
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.
1bea BIFUNCTIONAL
AMYLASE/SERINE
PROTEASE INHIBITOR

(Zea mays) 		PF00234
(Tryp_alpha_amyl) 		5 LEU A  60
THR A  58
LEU A  80
ARG A  21
GLY A 120
 None
 0.96A 1qknA-1beaA:
undetectable		 1qknA-1beaA:
18.82
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.
1dm3 BIOSYNTHETIC
THIOLASE ACETYLATED
AT CYS89

(Zoogloea
ramigera) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		6 LEU A 377
THR A 376
ALA A 375
LEU A 361
ILE A 346
GLY A 342
 SCY  A  89 ( 3.8A)
None
None
None
None
None
 1.50A 1qknA-1dm3A:
undetectable		 1qknA-1dm3A:
21.12
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.
1gju MALTODEXTRIN
GLYCOSYLTRANSFERASE

(Thermotoga
maritima) 		PF00128
(Alpha-amylase)
PF09083
(DUF1923) 		5 THR A 118
LEU A 125
LEU A 126
ILE A   6
GLY A  49
 None
 0.86A 1qknA-1gjuA:
undetectable		 1qknA-1gjuA:
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.
1gze MONO-ADP-RIBOSYLTRAN
SFERASE C3

(Clostridium
botulinum) 		PF03496
(ADPrib_exo_Tox) 		5 LEU A 135
ALA A 133
ILE A 239
ILE A 189
GLY A 129
 None
 0.93A 1qknA-1gzeA:
undetectable		 1qknA-1gzeA:
21.51
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.
1ih5 AQUAPORIN-1

(Homo sapiens) 		PF00230
(MIP) 		5 ALA A  20
LEU A  63
ILE A  70
GLY A  72
LEU A  75
 None
 0.94A 1qknA-1ih5A:
undetectable		 1qknA-1ih5A:
26.21
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.
1ihc GEPHYRIN

(Rattus
norvegicus) 		PF00994
(MoCF_biosynth) 		5 LEU A  70
LEU A  79
ILE A 104
ILE A 135
GLY A 137
 None
 0.98A 1qknA-1ihcA:
undetectable		 1qknA-1ihcA:
22.75
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.
1jhl IGG1-KAPPA D11.15 FV
(LIGHT CHAIN)

(Mus musculus) 		PF07686
(V-set) 		5 LEU L  73
THR L  20
LEU L 104
ILE L  87
GLY L 101
 None
 0.98A 1qknA-1jhlL:
undetectable		 1qknA-1jhlL:
16.08
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.
1k4q GLUTATHIONE
REDUCTASE

(Homo sapiens) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		6 ALA A 155
LEU A 153
LEU A  24
ILE A 125
ILE A 123
LEU A  33
 FAD  A 499 (-4.5A)
None
None
None
None
NIY  A 114 ( 4.1A)
 1.25A 1qknA-1k4qA:
undetectable		 1qknA-1k4qA:
18.62
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.
1mty METHANE
MONOOXYGENASE
HYDROXYLASE

(Methylococcus
capsulatus) 		PF02332
(Phenol_Hydrox) 		5 LEU D 349
LEU D 405
ILE D 469
GLY D 178
LEU D 180
 None
 0.92A 1qknA-1mtyD:
2.3		 1qknA-1mtyD:
18.70
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.
1oyw ATP-DEPENDENT DNA
HELICASE

(Escherichia
coli) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF09382
(RQC)
PF16124
(RecQ_Zn_bind) 		5 LEU A 180
THR A 181
ALA A 148
LEU A 196
ILE A  33
 None
 0.91A 1qknA-1oywA:
undetectable		 1qknA-1oywA:
19.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pcg ESTROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		9 LEU A 346
ALA A 350
GLU A 353
LEU A 387
LEU A 391
ARG A 394
ILE A 424
GLY A 521
LEU A 525
 EST  A   1 (-4.4A)
EST  A   1 ( 3.7A)
EST  A   1 (-2.8A)
EST  A   1 (-4.0A)
EST  A   1 ( 3.9A)
EST  A   1 (-3.7A)
EST  A   1 ( 4.5A)
EST  A   1 ( 4.1A)
EST  A   1 (-3.6A)
 0.71A 1qknA-1pcgA:
29.8		 1qknA-1pcgA:
59.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pcg ESTROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		9 LEU A 346
THR A 347
ALA A 350
GLU A 353
LEU A 387
LEU A 391
ARG A 394
GLY A 521
LEU A 525
 EST  A   1 (-4.4A)
None
EST  A   1 ( 3.7A)
EST  A   1 (-2.8A)
EST  A   1 (-4.0A)
EST  A   1 ( 3.9A)
EST  A   1 (-3.7A)
EST  A   1 ( 4.1A)
EST  A   1 (-3.6A)
 0.67A 1qknA-1pcgA:
29.8		 1qknA-1pcgA:
59.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pcg ESTROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 THR A 347
ALA A 350
GLU A 353
ARG A 394
ILE A 424
LEU A 525
 None
EST  A   1 ( 3.7A)
EST  A   1 (-2.8A)
EST  A   1 (-3.7A)
EST  A   1 ( 4.5A)
EST  A   1 (-3.6A)
 1.21A 1qknA-1pcgA:
29.8		 1qknA-1pcgA:
59.92
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.
1ss4 GLYOXALASE FAMILY
PROTEIN

(Bacillus cereus) 		PF13669
(Glyoxalase_4) 		5 LEU A 110
THR A 111
ILE A 141
ILE A 139
GLY A 138
 None
 0.99A 1qknA-1ss4A:
undetectable		 1qknA-1ss4A:
19.69
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.
1suv TRANSFERRIN RECEPTOR
PROTEIN 1

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		6 THR A 239
ALA A 235
LEU A 232
ILE A 332
ILE A 277
GLY A 252
 None
 1.31A 1qknA-1suvA:
undetectable		 1qknA-1suvA:
16.95
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.
1u8x MALTOSE-6'-PHOSPHATE
GLUCOSIDASE

(Bacillus
subtilis) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		5 LEU X 394
THR X 395
ALA X 398
GLU X 401
ILE X 412
 None
 0.95A 1qknA-1u8xX:
undetectable		 1qknA-1u8xX:
21.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1uhl RETINOIC ACID
RECEPTOR RXR-BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 ALA A 343
LEU A 380
ARG A 387
ILE A 416
LEU A 507
 MEI  A1001 (-3.3A)
MEI  A1001 (-3.8A)
MEI  A1001 (-3.6A)
None
MEI  A1001 (-4.6A)
 0.92A 1qknA-1uhlA:
22.5		 1qknA-1uhlA:
31.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1uhl RETINOIC ACID
RECEPTOR RXR-BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 ALA A 343
LEU A 380
ARG A 387
ILE A 499
GLY A 500
 MEI  A1001 (-3.3A)
MEI  A1001 (-3.8A)
MEI  A1001 (-3.6A)
None
None
 0.97A 1qknA-1uhlA:
22.5		 1qknA-1uhlA:
31.20
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.
1vcg ISOPENTENYL-DIPHOSPH
ATE DELTA-ISOMERASE

(Thermus
thermophilus) 		PF01070
(FMN_dh) 		5 LEU A  48
THR A  49
LEU A 281
LEU A 282
ILE A 303
 None
 0.92A 1qknA-1vcgA:
undetectable		 1qknA-1vcgA:
21.51
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.
1x87 UROCANASE PROTEIN

(Geobacillus
stearothermophilus) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		5 LEU A 166
THR A 165
LEU A 218
ILE A 191
GLY A 234
 None
 0.93A 1qknA-1x87A:
undetectable		 1qknA-1x87A:
16.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xb7 STEROID HORMONE
RECEPTOR ERR1

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 GLU A 331
MET A 362
LEU A 365
ARG A 372
GLY A 489
 None
 0.88A 1qknA-1xb7A:
25.2		 1qknA-1xb7A:
34.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xb7 STEROID HORMONE
RECEPTOR ERR1

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 324
GLU A 331
MET A 362
LEU A 365
ARG A 372
 None
 0.47A 1qknA-1xb7A:
25.2		 1qknA-1xb7A:
34.51
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.
1xiu RXR-LIKE PROTEIN

(Biomphalaria
glabrata) 		PF00104
(Hormone_recep) 		6 ALA A 246
LEU A 283
ARG A 290
ILE A 319
ILE A 402
GLY A 403
 9CR  A 201 (-3.6A)
9CR  A 201 ( 4.1A)
9CR  A 201 (-2.8A)
None
None
None
 1.03A 1qknA-1xiuA:
23.1		 1qknA-1xiuA:
30.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xls RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 ALA A 272
LEU A 309
ARG A 316
ILE A 345
ILE A 428
GLY A 429
 9CR  A 801 (-3.5A)
9CR  A 801 (-4.2A)
9CR  A 801 (-2.6A)
9CR  A 801 ( 4.5A)
None
None
 1.03A 1qknA-1xlsA:
22.4		 1qknA-1xlsA:
31.43
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.
1yz6 PROBABLE TRANSLATION
INITIATION FACTOR 2
ALPHA SUBUNIT

(Pyrococcus
abyssi) 		PF00575
(S1)
PF07541
(EIF_2_alpha) 		6 THR A  18
ALA A  17
LEU A  80
LEU A  82
ILE A  54
GLY A  26
 None
 1.13A 1qknA-1yz6A:
undetectable		 1qknA-1yz6A:
19.27
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.
2akz GAMMA ENOLASE

(Homo sapiens) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 ALA A  45
LEU A  48
ILE A  72
ILE A  68
GLY A 112
 None
 1.00A 1qknA-2akzA:
undetectable		 1qknA-2akzA:
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.
2b3d MODULATOR OF DRUG
ACTIVITY B

(Escherichia
coli) 		PF02525
(Flavodoxin_2) 		5 LEU A  35
THR A  36
ALA A  39
LEU A 199
ILE A 178
 None
 0.93A 1qknA-2b3dA:
undetectable		 1qknA-2b3dA:
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.
2b5m DAMAGE-SPECIFIC DNA
BINDING PROTEIN 1

(Homo sapiens) 		PF03178
(CPSF_A)
PF10433
(MMS1_N) 		5 LEU A 273
LEU A 284
LEU A 300
ILE A 220
GLY A 268
 None
 1.01A 1qknA-2b5mA:
undetectable		 1qknA-2b5mA:
14.45
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.
2bg9 ACETYLCHOLINE
RECEPTOR PROTEIN,
GAMMA CHAIN

(Torpedo
marmorata) 		PF02931
(Neur_chan_LBD)
PF02932
(Neur_chan_memb) 		5 LEU E  36
THR E  37
LEU E  49
ILE E 185
GLY E 181
 None
 1.01A 1qknA-2bg9E:
undetectable		 1qknA-2bg9E:
22.25
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.
2d5r CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 7

(Homo sapiens) 		PF04857
(CAF1) 		5 LEU A 233
THR A 234
ALA A 237
LEU A 216
GLY A 207
 None
 0.90A 1qknA-2d5rA:
undetectable		 1qknA-2d5rA:
21.23
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.
2eb5 2-OXO-HEPT-3-ENE-1,7
-DIOATE HYDRATASE

(Escherichia
coli) 		PF01557
(FAA_hydrolase) 		5 LEU A  64
THR A  65
ALA A  68
ILE A 162
ILE A  36
 OXL  A2001 ( 4.7A)
OXL  A2001 ( 4.5A)
None
None
None
 0.99A 1qknA-2eb5A:
undetectable		 1qknA-2eb5A:
21.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gpv ESTROGEN-RELATED
RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 LEU A 268
ALA A 272
GLU A 275
MET A 306
LEU A 309
ARG A 316
 OHT  A 500 (-4.1A)
OHT  A 500 (-3.5A)
OHT  A 500 (-2.6A)
OHT  A 500 (-3.9A)
OHT  A 500 ( 4.0A)
OHT  A 500 (-3.8A)
 0.41A 1qknA-2gpvA:
27.6		 1qknA-2gpvA:
33.60
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.
2kb2 BLRP1

(Klebsiella
pneumoniae) 		PF04940
(BLUF) 		6 THR A 105
ALA A 108
GLU A 111
LEU A  98
LEU A 102
GLY A  47
 None
 1.42A 1qknA-2kb2A:
undetectable		 1qknA-2kb2A:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o78 PUTATIVE HISTIDINE
AMMONIA-LYASE

(Rhodobacter
sphaeroides) 		PF00221
(Lyase_aromatic) 		5 LEU A  82
THR A  81
ALA A  84
LEU A 199
ILE A  53
 None
 1.00A 1qknA-2o78A:
undetectable		 1qknA-2o78A:
19.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ocf ESTROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		8 LEU A 346
ALA A 350
GLU A 353
LEU A 387
ARG A 394
ILE A 424
GLY A 521
LEU A 525
 EST  A 596 (-4.4A)
EST  A 596 ( 3.9A)
EST  A 596 (-2.7A)
EST  A 596 ( 4.2A)
EST  A 596 (-4.0A)
EST  A 596 ( 4.7A)
EST  A 596 ( 4.0A)
EST  A 596 (-3.6A)
 0.84A 1qknA-2ocfA:
30.0		 1qknA-2ocfA:
53.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ocf ESTROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		8 LEU A 346
ALA A 350
GLU A 353
LEU A 387
LEU A 391
ARG A 394
ILE A 424
GLY A 521
 EST  A 596 (-4.4A)
EST  A 596 ( 3.9A)
EST  A 596 (-2.7A)
EST  A 596 ( 4.2A)
EST  A 596 ( 4.6A)
EST  A 596 (-4.0A)
EST  A 596 ( 4.7A)
EST  A 596 ( 4.0A)
 0.61A 1qknA-2ocfA:
30.0		 1qknA-2ocfA:
53.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ocf ESTROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		8 LEU A 346
THR A 347
ALA A 350
GLU A 353
LEU A 387
ARG A 394
GLY A 521
LEU A 525
 EST  A 596 (-4.4A)
None
EST  A 596 ( 3.9A)
EST  A 596 (-2.7A)
EST  A 596 ( 4.2A)
EST  A 596 (-4.0A)
EST  A 596 ( 4.0A)
EST  A 596 (-3.6A)
 0.83A 1qknA-2ocfA:
30.0		 1qknA-2ocfA:
53.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ocf ESTROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		8 LEU A 346
THR A 347
ALA A 350
GLU A 353
LEU A 387
LEU A 391
ARG A 394
GLY A 521
 EST  A 596 (-4.4A)
None
EST  A 596 ( 3.9A)
EST  A 596 (-2.7A)
EST  A 596 ( 4.2A)
EST  A 596 ( 4.6A)
EST  A 596 (-4.0A)
EST  A 596 ( 4.0A)
 0.53A 1qknA-2ocfA:
30.0		 1qknA-2ocfA:
53.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ocf ESTROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 THR A 347
ALA A 350
GLU A 353
ARG A 394
ILE A 424
LEU A 525
 None
EST  A 596 ( 3.9A)
EST  A 596 (-2.7A)
EST  A 596 (-4.0A)
EST  A 596 ( 4.7A)
EST  A 596 (-3.6A)
 1.35A 1qknA-2ocfA:
30.0		 1qknA-2ocfA:
53.61
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.
2pmp 2-C-METHYL-D-ERYTHRI
TOL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Arabidopsis
thaliana) 		PF02542
(YgbB) 		5 ALA A 151
LEU A 132
ILE A  28
ILE A  26
GLY A  25
 None
 0.90A 1qknA-2pmpA:
undetectable		 1qknA-2pmpA:
23.50
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.
2q3y ANCESTRAL CORTICIOD
RECEPTOR

(unidentified) 		PF00104
(Hormone_recep) 		5 LEU A  32
ALA A  36
MET A  70
LEU A  77
ARG A  80
 1CA  A 247 (-4.0A)
1CA  A 247 (-3.6A)
1CA  A 247 ( 3.8A)
1CA  A 247 ( 3.9A)
1CA  A 247 (-3.8A)
 0.33A 1qknA-2q3yA:
25.4		 1qknA-2q3yA:
30.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qvl DIACYLGLYCEROL
KINASE DGKB

(Staphylococcus
aureus) 		PF00781
(DAGK_cat) 		5 ALA A 280
LEU A 268
LEU A 266
ILE A 223
LEU A 196
 None
 0.92A 1qknA-2qvlA:
undetectable		 1qknA-2qvlA:
20.66
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.
2vmh FIBRONECTIN TYPE III
DOMAIN PROTEIN

(Clostridium
perfringens) 		PF08305
(NPCBM) 		5 LEU A1049
THR A1050
GLU A 905
ILE A 952
GLY A 951
 None
 0.86A 1qknA-2vmhA:
undetectable		 1qknA-2vmhA:
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.
2x7x SENSOR PROTEIN

(Bacteroides
thetaiotaomicron) 		PF13407
(Peripla_BP_4) 		5 ALA A 201
GLU A 204
LEU A 160
ILE A 247
GLY A 246
 None
 0.85A 1qknA-2x7xA:
undetectable		 1qknA-2x7xA:
22.02
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.
3byq UNCHARACTERIZED
PROTEIN DUF1185

(Bordetella
bronchiseptica) 		PF06684
(AA_synth) 		6 LEU A  62
THR A  61
ALA A  64
LEU A 165
ILE A   4
ILE A  37
 None
 1.48A 1qknA-3byqA:
undetectable		 1qknA-3byqA:
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.
3c87 ENTEROCHELIN
ESTERASE

(Shigella
flexneri) 		PF00756
(Esterase)
PF11806
(DUF3327) 		5 LEU A 258
ALA A 253
LEU A 175
ILE A 168
ILE A 169
 None
 0.97A 1qknA-3c87A:
undetectable		 1qknA-3c87A:
20.34
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.
3d1r FRUCTOSE-1,6-BISPHOS
PHATASE CLASS II
GLPX

(Escherichia
coli) 		PF03320
(FBPase_glpX) 		5 THR A  13
ALA A  16
ILE A  82
ILE A  53
GLY A  56
 None
 0.91A 1qknA-3d1rA:
undetectable		 1qknA-3d1rA:
20.74
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.
3d7n FLAVODOXIN,
WRBA-LIKE PROTEIN

(Agrobacterium
fabrum) 		PF03358
(FMN_red) 		5 ALA A  77
LEU A  52
ILE A  59
GLY A  95
LEU A 114
 None
 1.00A 1qknA-3d7nA:
undetectable		 1qknA-3d7nA:
21.13
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.
3dh9 THIOREDOXIN
REDUCTASE 1

(Drosophila
melanogaster) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A 284
LEU A 282
LEU A 191
ILE A 242
GLY A 204
 None
 0.95A 1qknA-3dh9A:
undetectable		 1qknA-3dh9A:
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.
3dzu RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		5 ALA A 272
LEU A 309
ARG A 316
ILE A 345
LEU A 436
 9CR  A7223 (-4.2A)
9CR  A7223 ( 4.4A)
9CR  A7223 (-3.7A)
9CR  A7223 ( 4.9A)
9CR  A7223 ( 4.7A)
 0.98A 1qknA-3dzuA:
22.6		 1qknA-3dzuA:
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.
3dzu RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		5 ALA A 272
LEU A 309
ARG A 316
ILE A 428
GLY A 429
 9CR  A7223 (-4.2A)
9CR  A7223 ( 4.4A)
9CR  A7223 (-3.7A)
None
None
 0.94A 1qknA-3dzuA:
22.6		 1qknA-3dzuA:
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.
3g25 GLYCEROL KINASE

(Staphylococcus
aureus) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 LEU A 285
THR A 287
LEU A 271
ILE A 400
GLY A 258
 None
 1.00A 1qknA-3g25A:
undetectable		 1qknA-3g25A:
17.71
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.
3i4e ISOCITRATE LYASE

(Burkholderia
pseudomallei) 		PF00463
(ICL) 		5 LEU A 125
THR A 126
ILE A 151
GLY A  49
LEU A  45
 None
 0.71A 1qknA-3i4eA:
undetectable		 1qknA-3i4eA:
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.
3ksd GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
1

(Staphylococcus
aureus) 		no annotation 6 LEU Q 331
THR Q 327
ALA Q 329
LEU Q  27
ILE Q  90
LEU Q  94
 None
 1.44A 1qknA-3ksdQ:
undetectable		 1qknA-3ksdQ:
20.82
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.
3m9v FAD-DEPENDENT
OXIDOREDUCTASE

(Actinomadura
kijaniata) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 LEU A  86
ALA A  88
LEU A  14
GLY A  22
LEU A  25
 None
 0.95A 1qknA-3m9vA:
undetectable		 1qknA-3m9vA:
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.
3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA

(Escherichia
coli) 		PF00873
(ACR_tran) 		5 LEU A 864
ALA A 868
LEU A 467
ILE A 670
LEU A 562
 None
 0.99A 1qknA-3ne5A:
undetectable		 1qknA-3ne5A:
14.13
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.
3pay PUTATIVE ADHESIN

(Bacteroides
ovatus) 		PF08842
(Mfa2) 		5 THR A 271
LEU A 301
ILE A 324
GLY A 317
LEU A 327
 None
 0.82A 1qknA-3payA:
undetectable		 1qknA-3payA:
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.
3pfo PUTATIVE
ACETYLORNITHINE
DEACETYLASE

(Rhodopseudomonas
palustris) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 THR A 416
ALA A 154
LEU A 105
ILE A 199
GLY A 109
 None
 0.95A 1qknA-3pfoA:
undetectable		 1qknA-3pfoA:
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.
3rh3 UNCHARACTERIZED
DUF3829-LIKE PROTEIN

(Bacteroides
thetaiotaomicron) 		no annotation 5 LEU A 171
THR A 172
ALA A 175
GLU A 178
GLY A  99
 None
None
None
None
PEG  A 290 (-3.3A)
 0.85A 1qknA-3rh3A:
undetectable		 1qknA-3rh3A:
21.80
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.
3wwx S12 FAMILY PEPTIDASE

(Streptomyces
sp. 82F2) 		PF00144
(Beta-lactamase) 		6 THR A  90
ALA A  93
LEU A  97
ARG A 132
GLY A 290
LEU A 287
 None
 1.41A 1qknA-3wwxA:
undetectable		 1qknA-3wwxA:
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.
4aut DECAPRENYL-PHOSPHORY
L-BETA-D-RIBOFURANOS
E-2-OXIDOREDUCTASE

(Mycolicibacterium
smegmatis) 		PF01565
(FAD_binding_4)
PF04030
(ALO) 		5 THR A  48
ALA A  51
ILE A  79
GLY A 189
LEU A 159
 None
 1.00A 1qknA-4autA:
undetectable		 1qknA-4autA:
20.26
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.
4e3c INHIBITOR OF NUCLEAR
FACTOR KAPPA-B
KINASE SUBUNIT BETA

(Homo sapiens) 		PF00069
(Pkinase) 		6 LEU A 125
THR A 124
ALA A 121
ILE A 151
GLY A 102
LEU A 153
 None
 1.41A 1qknA-4e3cA:
undetectable		 1qknA-4e3cA:
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.
4ga6 PUTATIVE THYMIDINE
PHOSPHORYLASE

(Thermococcus
kodakarensis) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		5 LEU A 338
ALA A 340
LEU A 177
ILE A 394
ILE A 393
 None
 0.95A 1qknA-4ga6A:
undetectable		 1qknA-4ga6A:
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.
4hgk SHARK V-NAR ANTIBODY

(Squalus
acanthias) 		PF07686
(V-set) 		5 LEU C  87
THR C  38
LEU C 119
ILE C 101
GLY C 116
 None
 0.98A 1qknA-4hgkC:
undetectable		 1qknA-4hgkC:
15.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4j5x RETINOIC ACID
RECEPTOR RXR-ALPHA,
NUCLEAR RECEPTOR
COACTIVATOR 1

(Homo sapiens) 		no annotation 6 ALA D 272
LEU D 309
ARG D 316
ILE D 345
ILE D 428
GLY D 429
 None
 1.01A 1qknA-4j5xD:
23.1		 1qknA-4j5xD:
30.66
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.
4jz6 SALICYLALDEHYDE
DEHYDROGENASE NAHF

(Pseudomonas
putida) 		PF00171
(Aldedh) 		5 LEU A  95
ALA A  97
ILE A 323
ILE A 324
GLY A 325
 None
 1.00A 1qknA-4jz6A:
undetectable		 1qknA-4jz6A:
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.
4k26 CORTICOSTEROID
11-BETA-DEHYDROGENAS
E ISOZYME 1

(Mus musculus) 		PF00106
(adh_short) 		5 LEU A  54
ALA A  83
ILE A 117
ILE A  38
LEU A  63
 None
 0.97A 1qknA-4k26A:
undetectable		 1qknA-4k26A:
20.13
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.
4kpr THIOREDOXIN
REDUCTASE 1,
CYTOPLASMIC

(Rattus
norvegicus) 		no annotation 5 ALA E 290
LEU E 288
LEU E 194
ILE E 245
GLY E 207
 None
 0.97A 1qknA-4kprE:
undetectable		 1qknA-4kprE:
18.44
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.
4kzk L-ARABINOSE ABC
TRANSPORTER,
PERIPLASMIC
L-ARABINOSE-BINDING
PROTEIN

(Burkholderia
thailandensis) 		PF00532
(Peripla_BP_1) 		5 THR A 209
ALA A 212
LEU A 170
ILE A 261
GLY A 260
 None
 0.93A 1qknA-4kzkA:
undetectable		 1qknA-4kzkA:
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.
4m1z MEMBRANE-ANCHORED
MYCOSIN MYCP1

(Mycolicibacterium
smegmatis) 		PF00082
(Peptidase_S8) 		5 ALA A 301
LEU A 278
ILE A 130
ILE A 131
GLY A 342
 None
 0.95A 1qknA-4m1zA:
undetectable		 1qknA-4m1zA:
20.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4n1y ESTROGEN RECEPTOR

(Crassostrea
gigas) 		PF00104
(Hormone_recep) 		7 LEU A 283
ALA A 287
GLU A 290
MET A 321
LEU A 324
ARG A 331
GLY A 447
 None
 0.60A 1qknA-4n1yA:
27.0		 1qknA-4n1yA:
39.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4n1y ESTROGEN RECEPTOR

(Crassostrea
gigas) 		PF00104
(Hormone_recep) 		5 LEU A 283
MET A 321
ARG A 331
ILE A 361
GLY A 447
 None
 0.83A 1qknA-4n1yA:
27.0		 1qknA-4n1yA:
39.15
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.
4n75 OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMA

(Escherichia
coli) 		PF01103
(Bac_surface_Ag) 		5 THR A 617
GLU A 717
ARG A 661
GLY A 584
LEU A 581
 None
 0.99A 1qknA-4n75A:
undetectable		 1qknA-4n75A:
18.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q48 DNA HELICASE RECQ

(Deinococcus
radiodurans) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF09382
(RQC)
PF16124
(RecQ_Zn_bind) 		5 LEU A 179
THR A 180
ALA A 147
LEU A 195
ILE A  32
 None
 0.86A 1qknA-4q48A:
undetectable		 1qknA-4q48A:
19.58
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.
4rp8 ASCORBATE-SPECIFIC
PERMEASE IIC
COMPONENT ULAA

(Escherichia
coli) 		PF03611
(EIIC-GAT) 		6 LEU A 165
THR A 162
ALA A 163
LEU A 114
ILE A 172
GLY A 171
 None
 1.41A 1qknA-4rp8A:
undetectable		 1qknA-4rp8A:
20.60
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.
4s3n 2'-5'-OLIGOADENYLATE
SYNTHASE 3

(Homo sapiens) 		PF10421
(OAS1_C) 		5 LEU A 232
THR A 233
ALA A 236
LEU A 345
LEU A 353
 None
 0.91A 1qknA-4s3nA:
undetectable		 1qknA-4s3nA:
21.69
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.
4udb MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 LEU A 769
ALA A 773
MET A 807
LEU A 810
LEU A 814
ARG A 817
 CV7  A1987 (-4.1A)
CV7  A1987 (-3.5A)
CV7  A1987 ( 3.9A)
CV7  A1987 (-4.0A)
CV7  A1987 ( 4.0A)
CV7  A1987 (-3.7A)
 0.48A 1qknA-4udbA:
24.7		 1qknA-4udbA:
29.21
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.
4yfa PROTEIN RELATED TO
PENICILLIN ACYLASE

(Acidovorax sp.
MR-S7) 		PF01804
(Penicil_amidase) 		5 ALA A  98
GLU A  97
ILE A 172
ILE C 151
LEU A 161
 None
 0.98A 1qknA-4yfaA:
undetectable		 1qknA-4yfaA:
17.25
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.
4zwl BETAINE-ALDEHYDE
DEHYDROGENASE

(Staphylococcus
aureus) 		PF00171
(Aldedh) 		5 LEU A 187
THR A 188
GLU A 194
ILE A  37
GLY A   0
 None
 0.93A 1qknA-4zwlA:
undetectable		 1qknA-4zwlA:
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.
5c9i PROTEIN RELATED TO
PENICILLIN ACYLASE

(Acidovorax sp.
MR-S7) 		PF01804
(Penicil_amidase) 		5 ALA A  98
GLU A  97
ILE A 172
ILE A 353
LEU A 161
 None
 0.92A 1qknA-5c9iA:
undetectable		 1qknA-5c9iA:
16.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dcq ARTIFICIAL REPEAT
PROTEINS (ALPHAREP3)

(synthetic
construct) 		PF03130
(HEAT_PBS)
PF13646
(HEAT_2) 		6 THR A  35
ALA A  34
LEU A  49
LEU A  53
ILE A 102
GLY A  72
 None
 1.49A 1qknA-5dcqA:
undetectable		 1qknA-5dcqA:
22.05
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.
5epe SAM-DEPENDENT
METHYLTRANSFERASE

(Thiobacillus
denitrificans) 		PF13847
(Methyltransf_31) 		5 LEU A 125
THR A 124
ALA A 127
LEU A  41
ILE A 115
 None
None
None
None
SAH  A 301 (-4.7A)
 0.92A 1qknA-5epeA:
undetectable		 1qknA-5epeA:
23.32
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.
5exe OXALATE
OXIDOREDUCTASE
SUBUNIT DELTA

(Moorella
thermoacetica) 		PF00037
(Fer4)
PF01558
(POR) 		5 LEU B  35
THR B  36
ALA B  39
GLU B  42
ILE B  87
 None
 0.73A 1qknA-5exeB:
undetectable		 1qknA-5exeB:
21.11
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.
5guh PIWI

(Bombyx mori) 		PF02170
(PAZ)
PF02171
(Piwi) 		5 LEU A 596
LEU A 568
ILE A 552
ILE A 553
LEU A 530
 None
 0.95A 1qknA-5guhA:
undetectable		 1qknA-5guhA:
14.45
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.
5ihv BETA-LACTAMASE

(Burkholderia
ambifaria) 		PF13354
(Beta-lactamase2) 		5 THR A 126
ALA A 129
MET A 163
LEU A 166
LEU A  45
 EDO  A 301 (-3.4A)
None
None
None
None
 0.94A 1qknA-5ihvA:
undetectable		 1qknA-5ihvA:
20.36
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.
5iq0 ESTERASE

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 THR A 211
ALA A 214
GLU A 217
ARG A  95
LEU A 195
 None
 0.97A 1qknA-5iq0A:
undetectable		 1qknA-5iq0A:
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.
5ltm PHENYLALANINE
AMMONIA LYASE

(Anabaena) 		no annotation 5 LEU B 242
THR B 243
ALA B 246
LEU B 386
ILE B 471
 None
 0.97A 1qknA-5ltmB:
undetectable		 1qknA-5ltmB:
18.34
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.
5mwp MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		no annotation 5 LEU A 769
ALA A 773
MET A 807
LEU A 814
ARG A 817
 ECV  A1101 (-4.7A)
ECV  A1101 (-3.8A)
ECV  A1101 (-3.6A)
ECV  A1101 (-4.1A)
ECV  A1101 (-4.0A)
 0.32A 1qknA-5mwpA:
24.6		 1qknA-5mwpA:
11.95
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.
5nfh METHIONYL-TRNA
SYNTHETASE, PUTATIVE

(Trypanosoma
brucei) 		no annotation 6 THR A 651
ALA A 652
LEU A 712
LEU A 713
ILE A 675
GLY A 705
 None
 1.48A 1qknA-5nfhA:
undetectable		 1qknA-5nfhA:
19.19
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.
5o9e PUTATIVE U3 SMALL
NUCLEOLAR
RIBONUCLEOPROTEIN
PUTATIVE U3 SMALL
NUCLEOLAR
RIBONUCLEOPROTEIN
PROTEIN

(Chaetomium
thermophilum) 		PF04427
(Brix)
no annotation 		6 LEU A 200
GLU B 505
LEU B 502
ILE A 268
GLY B 518
LEU B 517
 None
 1.22A 1qknA-5o9eA:
undetectable		 1qknA-5o9eA:
22.91
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.
5o9e PUTATIVE U3 SMALL
NUCLEOLAR
RIBONUCLEOPROTEIN
PUTATIVE U3 SMALL
NUCLEOLAR
RIBONUCLEOPROTEIN
PROTEIN

(Chaetomium
thermophilum) 		PF04427
(Brix)
no annotation 		6 LEU A 200
THR A 198
LEU B 502
ILE A 268
GLY B 518
LEU B 517
 None
 1.49A 1qknA-5o9eA:
undetectable		 1qknA-5o9eA:
22.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5toa ESTROGEN RECEPTOR
BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		11 LEU A 298
THR A 299
ALA A 302
GLU A 305
MET A 336
LEU A 339
LEU A 343
ARG A 346
ILE A 373
ILE A 376
GLY A 472
 EST  A 601 (-4.1A)
None
EST  A 601 ( 3.9A)
EST  A 601 (-2.4A)
EST  A 601 ( 3.7A)
EST  A 601 (-3.9A)
EST  A 601 ( 4.4A)
EST  A 601 (-4.1A)
None
EST  A 601 ( 4.4A)
EST  A 601 (-4.0A)
 0.59A 1qknA-5toaA:
31.1		 1qknA-5toaA:
89.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5toa ESTROGEN RECEPTOR
BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		11 LEU A 298
THR A 299
ALA A 302
GLU A 305
MET A 336
LEU A 339
LEU A 343
ARG A 346
ILE A 376
GLY A 472
LEU A 476
 EST  A 601 (-4.1A)
None
EST  A 601 ( 3.9A)
EST  A 601 (-2.4A)
EST  A 601 ( 3.7A)
EST  A 601 (-3.9A)
EST  A 601 ( 4.4A)
EST  A 601 (-4.1A)
EST  A 601 ( 4.4A)
EST  A 601 (-4.0A)
EST  A 601 (-3.5A)
 0.72A 1qknA-5toaA:
31.1		 1qknA-5toaA:
89.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5toa ESTROGEN RECEPTOR
BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 THR A 299
ALA A 302
GLU A 305
ARG A 346
ILE A 376
 None
EST  A 601 ( 3.9A)
EST  A 601 (-2.4A)
EST  A 601 (-4.1A)
EST  A 601 ( 4.4A)
 0.91A 1qknA-5toaA:
31.1		 1qknA-5toaA:
89.41
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.
5uak CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR

(Homo sapiens) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane)
PF14396
(CFTR_R) 		5 LEU A1388
THR A1387
ILE A1289
GLY A1349
LEU A1353
 None
 1.01A 1qknA-5uakA:
2.2		 1qknA-5uakA:
10.96
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.
5x5t ALPHA-KETOGLUTARIC
SEMIALDEHYDE
DEHYDROGENASE

(Azospirillum
brasilense) 		PF00171
(Aldedh) 		5 ALA A 401
LEU A 294
ILE A 438
GLY A 414
LEU A 431
 None
 0.99A 1qknA-5x5tA:
undetectable		 1qknA-5x5tA:
19.67
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.
5zbk PUTATIVE CYTOKININ
RIBOSIDE
5'-MONOPHOSPHATE
PHOSPHORIBOHYDROLASE

(Pseudomonas
aeruginosa) 		no annotation 5 THR A 112
ALA A 115
GLU A 118
MET A  96
ILE A  66
 AMP  A 304 (-3.6A)
None
None
None
None
 0.95A 1qknA-5zbkA:
undetectable		 1qknA-5zbkA:
15.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zov -

(-) 		no annotation 6 LEU A 165
THR A 162
ALA A 163
LEU A 114
ILE A 172
GLY A 171
 None
 1.44A 1qknA-5zovA:
undetectable		 1qknA-5zovA:
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.
6dw1 -

(-) 		no annotation 6 LEU E  59
THR E  58
ALA E 134
LEU E 210
ILE E 181
ILE E 188
 None
 1.31A 1qknA-6dw1E:
undetectable		 1qknA-6dw1E:
undetectable