SIMILAR PATTERNS OF AMINO ACIDS FOR 1TKQ_B_DVAB6

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.
1f0i PHOSPHOLIPASE D

(Streptomyces
sp. PMF) 		PF13091
(PLDc_2) 		3 ALA A 215
VAL A  29
TRP A  30
 None
 0.93A 1tkqB-1f0iA:
undetectable		 1tkqB-1f0iA:
3.78
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.
1fjj HYPOTHETICAL 17.1
KDA PROTEIN IN
MODC-BIOA INTERGENIC
REGION

(Escherichia
coli) 		PF01161
(PBP) 		3 ALA A   0
VAL A  39
TRP A  36
 None
 0.85A 1tkqB-1fjjA:
undetectable		 1tkqB-1fjjA:
14.93
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.
1gju MALTODEXTRIN
GLYCOSYLTRANSFERASE

(Thermotoga
maritima) 		PF00128
(Alpha-amylase)
PF09083
(DUF1923) 		3 ALA A 536
VAL A 542
TRP A 545
 None
 0.89A 1tkqB-1gjuA:
undetectable		 1tkqB-1gjuA:
2.29
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.
1i9a ISOPENTENYL-DIPHOSPH
ATE DELTA-ISOMERASE

(Escherichia
coli) 		PF00293
(NUDIX) 		3 ALA A  52
VAL A  61
TRP A  58
 None
 0.79A 1tkqB-1i9aA:
undetectable		 1tkqB-1i9aA:
6.78
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.
1jed SULFATE
ADENYLYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		3 ALA A  75
VAL A  68
TRP A  80
 None
 0.93A 1tkqB-1jedA:
undetectable		 1tkqB-1jedA:
4.25
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.
1m7j D-AMINOACYLASE

(Alcaligenes
faecalis) 		PF07969
(Amidohydro_3) 		3 ALA A 461
VAL A 456
TRP A 464
 None
 0.76A 1tkqB-1m7jA:
undetectable		 1tkqB-1m7jA:
3.74
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.
1mty METHANE
MONOOXYGENASE
HYDROXYLASE
METHANE
MONOOXYGENASE
HYDROXYLASE

(Methylococcus
capsulatus;
Methylococcus
capsulatus) 		PF02332
(Phenol_Hydrox)
PF02332
(Phenol_Hydrox) 		3 ALA B  17
VAL D  95
TRP D  99
 None
 0.88A 1tkqB-1mtyB:
undetectable		 1tkqB-1mtyB:
3.23
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.
1pox PYRUVATE OXIDASE

(Lactobacillus
plantarum) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		3 ALA A 351
VAL A 353
TRP A 356
 None
 0.87A 1tkqB-1poxA:
undetectable		 1tkqB-1poxA:
3.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qo8 FLAVOCYTOCHROME C3
FUMARATE REDUCTASE

(Shewanella
frigidimarina) 		PF00890
(FAD_binding_2)
PF14537
(Cytochrom_c3_2) 		3 ALA A 132
VAL A 549
TRP A 217
 FAD  A 605 (-3.3A)
None
None
 0.94A 1tkqB-1qo8A:
undetectable		 1tkqB-1qo8A:
3.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r6x ATP:SULFATE
ADENYLYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		3 ALA A  75
VAL A  68
TRP A  80
 None
 0.90A 1tkqB-1r6xA:
undetectable		 1tkqB-1r6xA:
9.17
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.
1rjw ALCOHOL
DEHYDROGENASE

(Geobacillus
stearothermophilus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		3 ALA A 149
VAL A 286
TRP A  87
 None
ETF  A 501 ( 4.8A)
ETF  A 501 (-3.7A)
 0.91A 1tkqB-1rjwA:
undetectable		 1tkqB-1rjwA:
3.62
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.
1v9c PRECORRIN-8X METHYL
MUTASE

(Thermus
thermophilus) 		PF02570
(CbiC) 		3 ALA A 154
VAL A 178
TRP A 180
 None
 0.84A 1tkqB-1v9cA:
undetectable		 1tkqB-1v9cA:
7.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vrq SARCOSINE OXIDASE
ALPHA SUBUNIT

(Corynebacterium
sp. U-96) 		PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF12831
(FAD_oxidored)
PF13510
(Fer2_4) 		3 ALA A 697
VAL A 699
TRP A 702
 SO4  A2002 (-3.2A)
None
None
 0.84A 1tkqB-1vrqA:
undetectable		 1tkqB-1vrqA:
2.36
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.
2bpq ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE

(Mycobacterium
tuberculosis) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N) 		3 ALA A 265
VAL A 269
TRP A 262
 None
 0.85A 1tkqB-2bpqA:
undetectable		 1tkqB-2bpqA:
3.53
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.
2cr0 NUCLEAR MIGRATION
PROTEIN NUDC

(Mus musculus) 		PF04969
(CS) 		3 ALA A  32
VAL A  91
TRP A  81
 None
 0.92A 1tkqB-2cr0A:
undetectable		 1tkqB-2cr0A:
10.38
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.
2gah HETEROTETRAMERIC
SARCOSINE OXIDASE
ALPHA-SUBUNIT

(Stenotrophomonas
maltophilia) 		PF01571
(GCV_T)
PF07992
(Pyr_redox_2)
PF08669
(GCV_T_C)
PF13510
(Fer2_4) 		3 ALA A 698
VAL A 700
TRP A 703
 None
 0.89A 1tkqB-2gahA:
undetectable		 1tkqB-2gahA:
2.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2in5 HYPOTHETICAL
LIPOPROTEIN YMCC

(Escherichia
coli) 		PF11102
(YjbF) 		3 ALA A 172
VAL A 169
TRP A 150
 None
 0.88A 1tkqB-2in5A:
undetectable		 1tkqB-2in5A:
8.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jv8 UNCHARACTERIZED
PROTEIN NE1242

(Nitrosomonas
europaea) 		no annotation 3 ALA A  34
VAL A  31
TRP A  39
 None
 0.93A 1tkqB-2jv8A:
undetectable		 1tkqB-2jv8A:
18.00
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.
2n6g MBTH-LIKE PROTEIN

(Mycobacterium
avium) 		PF03621
(MbtH) 		3 ALA A  32
VAL A  36
TRP A  40
 None
 0.93A 1tkqB-2n6gA:
undetectable		 1tkqB-2n6gA:
18.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o2c GLUCOSE-6-PHOSPHATE
ISOMERASE,
GLYCOSOMAL

(Trypanosoma
brucei) 		PF00342
(PGI) 		3 ALA A 374
VAL A 376
TRP A 379
 None
 0.90A 1tkqB-2o2cA:
undetectable		 1tkqB-2o2cA:
3.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ogs THERMOSTABLE
CARBOXYLESTERASE
EST50

(Geobacillus
stearothermophilus) 		PF00135
(COesterase) 		3 ALA A  93
VAL A  21
TRP A  90
 ALA  A  93 ( 0.0A)
VAL  A  21 ( 0.6A)
TRP  A  90 ( 0.5A)
 0.79A 1tkqB-2ogsA:
undetectable		 1tkqB-2ogsA:
3.25
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.
2vdj HOMOSERINE
O-SUCCINYLTRANSFERAS
E

(Bacillus cereus) 		PF04204
(HTS) 		3 ALA A 145
VAL A 230
TRP A 288
 None
 0.89A 1tkqB-2vdjA:
undetectable		 1tkqB-2vdjA:
3.97
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.
2vzn VENOM ALLERGEN 3

(Solenopsis
invicta) 		PF00188
(CAP) 		3 ALA A 116
VAL A 193
TRP A  92
 None
 0.86A 1tkqB-2vznA:
undetectable		 1tkqB-2vznA:
7.52
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.
2x0i MALATE DEHYDROGENASE

(Archaeoglobus
fulgidus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		3 ALA A 298
VAL A 160
TRP A 150
 None
 0.93A 1tkqB-2x0iA:
undetectable		 1tkqB-2x0iA:
6.99
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.
2ze4 PHOSPHOLIPASE D

(Streptomyces
antibioticus) 		PF13091
(PLDc_2) 		3 ALA A 213
VAL A  27
TRP A  28
 None
 0.88A 1tkqB-2ze4A:
undetectable		 1tkqB-2ze4A:
3.77
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.
3auv SC-DSFV DERIVED FROM
THE G6-FAB

(Homo sapiens) 		PF07686
(V-set) 		3 ALA A 240
VAL A 234
TRP A 167
 None
 0.88A 1tkqB-3auvA:
undetectable		 1tkqB-3auvA:
3.26
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.
3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT

(Hydrogenovibrio
marinus) 		PF00374
(NiFeSe_Hases) 		3 ALA A 499
VAL A 235
TRP A  69
 None
 0.93A 1tkqB-3ayxA:
undetectable		 1tkqB-3ayxA:
3.24
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.
3c8z CYSTEINYL-TRNA
SYNTHETASE

(Mycolicibacterium
smegmatis) 		PF01406
(tRNA-synt_1e) 		3 ALA A 203
VAL A 160
TRP A 206
 None
 0.81A 1tkqB-3c8zA:
undetectable		 1tkqB-3c8zA:
6.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cgh SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF12741
(SusD-like) 		3 ALA A 298
VAL A 328
TRP A 322
 None
 0.90A 1tkqB-3cghA:
undetectable		 1tkqB-3cghA:
2.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e8j COPROPORPHYRINOGEN
III OXIDASE

(Leishmania
naiffi) 		PF01218
(Coprogen_oxidas) 		3 ALA A  89
VAL A 114
TRP A 124
 None
None
GOL  A 305 (-4.0A)
 0.92A 1tkqB-3e8jA:
undetectable		 1tkqB-3e8jA:
6.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eyk HEMAGGLUTININ HA1
CHAIN

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		3 ALA A 157
VAL A 132
TRP A 127
 None
 0.92A 1tkqB-3eykA:
undetectable		 1tkqB-3eykA:
6.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gyx ADENYLYLSULFATE
REDUCTASE
ADENYLYLSULFATE
REDUCTASE

(Desulfovibrio
gigas;
Desulfovibrio
gigas) 		PF00890
(FAD_binding_2)
PF12139
(APS-reductase_C)
PF13187
(Fer4_9) 		3 ALA A 257
VAL A 254
TRP B  48
 None
 0.89A 1tkqB-3gyxA:
undetectable		 1tkqB-3gyxA:
2.62
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.
3hjv MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE

(Vibrio cholerae) 		PF00698
(Acyl_transf_1) 		3 ALA A  74
VAL A  76
TRP A  79
 None
 0.93A 1tkqB-3hjvA:
undetectable		 1tkqB-3hjvA:
4.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iv7 ALCOHOL
DEHYDROGENASE IV

(Corynebacterium
glutamicum) 		PF00465
(Fe-ADH) 		3 ALA A 111
VAL A 146
TRP A 130
 None
 0.90A 1tkqB-3iv7A:
undetectable		 1tkqB-3iv7A:
5.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3j5y EUKARYOTIC PEPTIDE
CHAIN RELEASE FACTOR
SUBUNIT 1

(Homo sapiens) 		PF03463
(eRF1_1)
PF03464
(eRF1_2)
PF03465
(eRF1_3) 		3 ALA A   8
VAL A  12
TRP A  15
 None
 0.91A 1tkqB-3j5yA:
undetectable		 1tkqB-3j5yA:
3.01
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.
3kdr HK97 FAMILY PHAGE
PORTAL PROTEIN

(Corynebacterium
diphtheriae) 		PF04860
(Phage_portal) 		3 ALA A 152
VAL A 148
TRP A 139
 None
 0.80A 1tkqB-3kdrA:
undetectable		 1tkqB-3kdrA:
5.52
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.
3l12 PUTATIVE
GLYCEROPHOSPHORYL
DIESTER
PHOSPHODIESTERASE

(Ruegeria
pomeroyi) 		PF03009
(GDPD) 		3 ALA A  42
VAL A  45
TRP A 311
 None
 0.94A 1tkqB-3l12A:
undetectable		 1tkqB-3l12A:
5.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3llk SULFHYDRYL OXIDASE 1

(Homo sapiens) 		PF04777
(Evr1_Alr) 		3 ALA A 486
VAL A 501
TRP A 503
 None
None
FAD  A 550 (-3.7A)
 0.71A 1tkqB-3llkA:
undetectable		 1tkqB-3llkA:
8.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m4x NOL1/NOP2/SUN FAMILY
PROTEIN

(Enterococcus
faecium) 		PF01189
(Methyltr_RsmB-F)
PF13636
(Methyltranf_PUA)
PF17125
(Methyltr_RsmF_N)
PF17126
(RsmF_methylt_CI) 		3 ALA A 387
VAL A 155
TRP A 153
 None
 0.81A 1tkqB-3m4xA:
undetectable		 1tkqB-3m4xA:
5.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oj1 DEHALOPEROXIDASE A

(Amphitrite
ornata) 		PF00042
(Globin) 		3 ALA A 103
VAL A 105
TRP A 120
 None
 0.83A 1tkqB-3oj1A:
undetectable		 1tkqB-3oj1A:
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.
3qor NUCLEAR MIGRATION
PROTEIN NUDC

(Homo sapiens) 		PF04969
(CS) 		3 ALA A 184
VAL A 243
TRP A 233
 None
 0.82A 1tkqB-3qorA:
undetectable		 1tkqB-3qorA:
10.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qz1 STEROID
21-HYDROXYLASE

(Bos taurus) 		PF00067
(p450) 		3 ALA A 419
VAL A 357
TRP A 301
 HEM  A 500 (-4.3A)
HEM  A 500 ( 4.5A)
None
 0.90A 1tkqB-3qz1A:
undetectable		 1tkqB-3qz1A:
6.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r97 MALONYL COA-ACP
TRANSACYLASE

(Xanthomonas
oryzae) 		PF00698
(Acyl_transf_1) 		3 ALA A  71
VAL A  73
TRP A  76
 None
 0.91A 1tkqB-3r97A:
undetectable		 1tkqB-3r97A:
5.98
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.
3rgw MEMBRANE-BOUND
HYDROGENASE (NIFE)
LARGE SUBUNIT HOXG

(Cupriavidus
necator) 		PF00374
(NiFeSe_Hases) 		3 ALA L 506
VAL L 234
TRP L  68
 None
 0.84A 1tkqB-3rgwL:
undetectable		 1tkqB-3rgwL:
4.15
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.
3see HYPOTHETICAL SUGAR
BINDING PROTEIN

(Bacteroides
thetaiotaomicron) 		PF15425
(DUF4627) 		3 ALA A  61
VAL A  32
TRP A  47
 None
 0.92A 1tkqB-3seeA:
undetectable		 1tkqB-3seeA:
4.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t58 SULFHYDRYL OXIDASE 1

(Mus musculus) 		PF00085
(Thioredoxin)
PF04777
(Evr1_Alr) 		3 ALA A 489
VAL A 504
TRP A 506
 None
None
FAD  A 601 (-3.7A)
 0.68A 1tkqB-3t58A:
undetectable		 1tkqB-3t58A:
3.15
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.
3usc HYDROGENASE-1 LARGE
CHAIN

(Escherichia
coli) 		PF00374
(NiFeSe_Hases) 		3 ALA L 485
VAL L 234
TRP L  69
 None
 0.89A 1tkqB-3uscL:
undetectable		 1tkqB-3uscL:
5.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w2z METHYL-ACCEPTING
CHEMOTAXIS PROTEIN

(Nostoc sp. PCC
7120) 		PF01590
(GAF) 		3 ALA A  57
VAL A  74
TRP A  78
 None
 0.75A 1tkqB-3w2zA:
undetectable		 1tkqB-3w2zA:
7.45
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.
4a9w MONOOXYGENASE

(Stenotrophomonas
maltophilia) 		PF13738
(Pyr_redox_3) 		3 ALA A 123
VAL A   4
TRP A 119
 None
 0.89A 1tkqB-4a9wA:
undetectable		 1tkqB-4a9wA:
4.66
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.
4c3o HYDROGENASE-1 LARGE
SUBUNIT

(Salmonella
enterica) 		PF00374
(NiFeSe_Hases) 		3 ALA A 488
VAL A 234
TRP A  69
 None
 0.80A 1tkqB-4c3oA:
undetectable		 1tkqB-4c3oA:
4.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c6o CAD PROTEIN

(Homo sapiens) 		PF01979
(Amidohydro_1) 		3 ALA A1616
VAL A1670
TRP A1674
 None
 0.68A 1tkqB-4c6oA:
undetectable		 1tkqB-4c6oA:
4.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cf3 L-HALOACID
DEHALOGENASE

(Rhodobacteraceae) 		PF00702
(Hydrolase) 		3 ALA A  83
VAL A  77
TRP A  46
 None
 0.88A 1tkqB-4cf3A:
undetectable		 1tkqB-4cf3A:
5.61
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.
4f5x RNA-DIRECTED RNA
POLYMERASE

(Rotavirus A) 		PF02123
(RdRP_4)
PF12289
(Rotavirus_VP1) 		3 ALA W 668
VAL W 521
TRP W 524
 None
 0.87A 1tkqB-4f5xW:
undetectable		 1tkqB-4f5xW:
1.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f7c CD1D ANTIGEN, D
POLYPEPTIDE

(Bos taurus) 		PF07654
(C1-set)
PF16497
(MHC_I_3) 		3 ALA A 252
VAL A 256
TRP A 277
 None
 0.74A 1tkqB-4f7cA:
undetectable		 1tkqB-4f7cA:
5.45
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.
4hb9 SIMILARITIES WITH
PROBABLE
MONOOXYGENASE

(Photorhabdus
laumondii) 		PF01494
(FAD_binding_3) 		3 ALA A 250
VAL A 248
TRP A 218
 None
None
EDO  A 505 ( 3.8A)
 0.61A 1tkqB-4hb9A:
undetectable		 1tkqB-4hb9A:
4.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hw6 HYPOTHETICAL
PROTEIN, IPT/TIG
DOMAIN PROTEIN

(Bacteroides
ovatus) 		PF01833
(TIG) 		3 ALA A 195
VAL A 190
TRP A 174
 CL  A 506 ( 3.8A)
None
None
 0.68A 1tkqB-4hw6A:
undetectable		 1tkqB-4hw6A:
5.22
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.
4lbw ELONGATION FACTOR
TU-A

(Thermus
thermophilus) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		3 ALA A 175
VAL A 196
TRP A 200
 GNP  A 501 (-4.1A)
None
None
 0.81A 1tkqB-4lbwA:
undetectable		 1tkqB-4lbwA:
3.00
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.
4lim DNA PRIMASE SMALL
SUBUNIT

(Saccharomyces
cerevisiae) 		PF01896
(DNA_primase_S) 		3 ALA A 381
VAL A 383
TRP A  31
 None
 0.94A 1tkqB-4limA:
undetectable		 1tkqB-4limA:
5.71
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.
4nov XYLOSIDASE/ARABINOFU
RANOSIDASE XSA43E

(Butyrivibrio
proteoclasticus) 		PF04616
(Glyco_hydro_43) 		3 ALA A 218
VAL A 216
TRP A 205
 None
 0.73A 1tkqB-4novA:
undetectable		 1tkqB-4novA:
6.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oxi ENTEROBACTIN
SYNTHETASE COMPONENT
F-RELATED PROTEIN

(Vibrio cholerae) 		PF00501
(AMP-binding) 		3 ALA A 477
VAL A 493
TRP A 481
 None
 0.84A 1tkqB-4oxiA:
undetectable		 1tkqB-4oxiA:
2.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p2l SULFHYDRYL OXIDASE 1

(Rattus
norvegicus) 		PF00085
(Thioredoxin)
PF04777
(Evr1_Alr) 		3 ALA A 489
VAL A 504
TRP A 506
 None
None
FAD  A 601 (-3.5A)
 0.75A 1tkqB-4p2lA:
undetectable		 1tkqB-4p2lA:
3.46
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.
4puc SUSD HOMOLOG

(Bacteroides
uniformis) 		PF12741
(SusD-like) 		3 ALA A 290
VAL A 319
TRP A 313
 None
 0.86A 1tkqB-4pucA:
undetectable		 1tkqB-4pucA:
3.74
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.
4q4y COXSACKIEVIRUS
CAPSID PROTEIN VP2

(Enterovirus C) 		PF00073
(Rhv) 		3 ALA 2 126
VAL 2 229
TRP 2  79
 None
 0.85A 1tkqB-4q4y2:
undetectable		 1tkqB-4q4y2:
5.38
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.
4qfh GLUCOSE-6-PHOSPHATE
ISOMERASE

(Trypanosoma
cruzi) 		PF00342
(PGI) 		3 ALA A 375
VAL A 377
TRP A 380
 None
 0.87A 1tkqB-4qfhA:
undetectable		 1tkqB-4qfhA:
3.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rkk LAFORIN

(Homo sapiens) 		PF00686
(CBM_20)
PF00782
(DSPc) 		3 ALA A  12
VAL A   9
TRP A  60
 None
 0.94A 1tkqB-4rkkA:
undetectable		 1tkqB-4rkkA:
4.98
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.
4run ODORANT-BINDING
PROTEIN 2A

(Homo sapiens) 		PF00061
(Lipocalin) 		3 ALA A  41
VAL A  39
TRP A  14
 None
 0.88A 1tkqB-4runA:
undetectable		 1tkqB-4runA:
6.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u5y ACETYL-COENZYME A
SYNTHETASE

(Salmonella
enterica) 		PF13193
(AMP-binding_C) 		3 ALA D 577
VAL D 579
TRP D 582
 None
 0.93A 1tkqB-4u5yD:
undetectable		 1tkqB-4u5yD:
16.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xgi GLUTAMATE
DEHYDROGENASE

(Burkholderia
thailandensis) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		3 ALA A 359
VAL A 357
TRP A 108
 None
 0.58A 1tkqB-4xgiA:
undetectable		 1tkqB-4xgiA:
3.70
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.
4xxp PUTATIVE
UNCHARACTERIZED
PROTEIN (RV0315
ORTHOLOG)

(Mycobacterium
avium) 		PF00722
(Glyco_hydro_16) 		3 ALA A 196
VAL A 193
TRP A 165
 None
 0.89A 1tkqB-4xxpA:
undetectable		 1tkqB-4xxpA:
4.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y7l TYPE VI SECRETION
PROTEIN ICMF

(Escherichia
coli) 		PF06744
(IcmF_C) 		3 ALA A 882
VAL A 884
TRP A 887
 None
 0.69A 1tkqB-4y7lA:
undetectable		 1tkqB-4y7lA:
4.78
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.
4y7m TYPE VI SECRETION
PROTEIN ICMF

(Escherichia
coli) 		PF06744
(IcmF_C) 		3 ALA C 882
VAL C 884
TRP C 887
 SO4  C1201 ( 4.0A)
None
None
 0.71A 1tkqB-4y7mC:
undetectable		 1tkqB-4y7mC:
4.23
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.
4zb6 PCURE2P4

(Phanerochaete
chrysosporium) 		PF00043
(GST_C)
PF02798
(GST_N) 		3 ALA A 166
VAL A 162
TRP A 107
 None
 0.80A 1tkqB-4zb6A:
undetectable		 1tkqB-4zb6A:
9.32
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.
4zb8 PCURE2P6

(Phanerochaete
chrysosporium) 		PF00043
(GST_C)
PF02798
(GST_N) 		3 ALA A 165
VAL A 161
TRP A 106
 None
 0.81A 1tkqB-4zb8A:
undetectable		 1tkqB-4zb8A:
7.82
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.
5cm9 RAL GUANINE
NUCLEOTIDE
DISSOCIATION
STIMULATOR-LIKE 2

(Mus musculus) 		PF00617
(RasGEF)
PF00618
(RasGEF_N) 		3 ALA A 308
VAL A 305
TRP A 335
 None
 0.70A 1tkqB-5cm9A:
undetectable		 1tkqB-5cm9A:
4.44
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.
5cog IRC4

(Saccharomyces
cerevisiae) 		PF08020
(DUF1706) 		3 ALA A  75
VAL A  71
TRP A 133
 None
 0.90A 1tkqB-5cogA:
undetectable		 1tkqB-5cogA:
8.77
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.
5cxw PENICILLIN-BINDING
PROTEIN 1A

(Mycobacterium
tuberculosis) 		PF00905
(Transpeptidase) 		3 ALA A 554
VAL A 567
TRP A 596
 None
 0.64A 1tkqB-5cxwA:
undetectable		 1tkqB-5cxwA:
3.58
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.
5djq CBB3-TYPE CYTOCHROME
C OXIDASE SUBUNIT
CCON1

(Pseudomonas
stutzeri) 		PF00115
(COX1) 		3 ALA A 462
VAL A 459
TRP A 456
 None
 0.88A 1tkqB-5djqA:
undetectable		 1tkqB-5djqA:
3.74
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.
5dqp EDTA MONOOXYGENASE

(EDTA-degrading
bacterium BNC1) 		PF00296
(Bac_luciferase) 		3 ALA A  56
VAL A  93
TRP A 122
 PE4  A 501 (-3.0A)
None
None
 0.89A 1tkqB-5dqpA:
undetectable		 1tkqB-5dqpA:
2.61
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.
5elg GLUTATHIONE
S-TRANSFERASE DHAR1,
MITOCHONDRIAL

(Arabidopsis
thaliana) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		3 ALA A  10
VAL A 203
TRP A 207
 None
None
GOL  A 301 (-3.3A)
 0.91A 1tkqB-5elgA:
undetectable		 1tkqB-5elgA:
10.91
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.
5eo6 COPROPORPHYRINOGEN
OXIDASE

(Acinetobacter
baumannii) 		PF01218
(Coprogen_oxidas) 		3 ALA A  97
VAL A 122
TRP A 132
 None
 0.90A 1tkqB-5eo6A:
undetectable		 1tkqB-5eo6A:
9.02
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.
5fkc BETA-FRUCTOFURANOSID
ASE

(Xanthophyllomyces
dendrorhous) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		3 ALA A 546
VAL A 543
TRP A 532
 None
 0.85A 1tkqB-5fkcA:
undetectable		 1tkqB-5fkcA:
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.
5hfn CEPHALOSPORIN-C
DEACETYLASE

(Thermotoga
maritima) 		PF05448
(AXE1) 		3 ALA A 167
VAL A 114
TRP A  72
 None
 0.92A 1tkqB-5hfnA:
undetectable		 1tkqB-5hfnA:
4.22
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.
5hl6 PUTATIVE GAF SENSOR
PROTEIN

(Burkholderia
vietnamiensis) 		PF13185
(GAF_2) 		3 ALA A  89
VAL A 119
TRP A 132
 None
 0.81A 1tkqB-5hl6A:
undetectable		 1tkqB-5hl6A:
13.40
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.
5i3e PUTATIVE
DEOXYRIBONUCLEASE-2

(Burkholderia
thailandensis) 		PF03265
(DNase_II) 		3 ALA A 311
VAL A 293
TRP A 282
 None
 0.81A 1tkqB-5i3eA:
undetectable		 1tkqB-5i3eA:
4.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ir6 BD-TYPE QUINOL
OXIDASE SUBUNIT I

(Geobacillus
stearothermophilus) 		PF01654
(Cyt_bd_oxida_I) 		3 ALA A 200
VAL A 360
TRP A 205
 None
 0.87A 1tkqB-5ir6A:
undetectable		 1tkqB-5ir6A:
4.05
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.
5jrl DIPEPTIDYL
AMINOPEPTIDASES/ACYL
AMINOACYL-PEPTIDASES
-LIKE PROTEIN

(Sphingopyxis
alaskensis) 		PF00326
(Peptidase_S9) 		3 ALA A 538
VAL A 431
TRP A 437
 None
 0.93A 1tkqB-5jrlA:
undetectable		 1tkqB-5jrlA:
2.62
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.
5l25 BORON TRANSPORTER 1

(Arabidopsis
thaliana) 		PF00955
(HCO3_cotransp) 		3 ALA A 123
VAL A 128
TRP A 131
 None
 0.88A 1tkqB-5l25A:
undetectable		 1tkqB-5l25A:
2.82
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.
5lnk MITOCHONDRIAL
COMPLEX I, PDSW
SUBUNIT
MITOCHONDRIAL
COMPLEX I, B17
SUBUNIT

(Ovis aries;
Ovis aries) 		PF10249
(NDUFB10)
no annotation 		3 ALA Z  35
VAL Z  40
TRP r  79
 None
 0.71A 1tkqB-5lnkZ:
undetectable		 1tkqB-5lnkZ:
6.19
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.
5mjs TUBULIN BETA CHAIN

(Schizosaccharomyces
pombe) 		no annotation 3 ALA A 338
VAL A 341
TRP A 343
 None
 0.66A 1tkqB-5mjsA:
undetectable		 1tkqB-5mjsA:
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.
5mrw POTASSIUM-TRANSPORTI
NG ATPASE
POTASSIUM-BINDING
SUBUNIT

(Escherichia
coli) 		PF03814
(KdpA) 		3 ALA A  49
VAL A  52
TRP A 167
 None
 0.94A 1tkqB-5mrwA:
undetectable		 1tkqB-5mrwA:
2.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ms3 KALLIKREIN-8

(Homo sapiens) 		no annotation 3 ALA A  32
VAL A  45
TRP A  29
 None
 0.91A 1tkqB-5ms3A:
undetectable		 1tkqB-5ms3A:
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.
5nn7 URACIL-DNA
GLYCOSYLASE

(Human
gammaherpesvirus
8) 		no annotation 3 ALA A 121
VAL A 123
TRP A 250
 None
 0.82A 1tkqB-5nn7A:
undetectable		 1tkqB-5nn7A:
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.
5ode GLL2934 PROTEIN

(Gloeobacter
violaceus) 		no annotation 3 ALA A  21
VAL A  43
TRP A  85
 None
 0.91A 1tkqB-5odeA:
undetectable		 1tkqB-5odeA:
8.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tg8 HEMAGGLUTININ HA1
CHAIN

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		3 ALA A 257
VAL A 179
TRP A 234
 None
 0.83A 1tkqB-5tg8A:
undetectable		 1tkqB-5tg8A:
4.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6aon DIHYDROLIPOYL
DEHYDROGENASE

(Bordetella
pertussis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		3 ALA A 319
VAL A 149
TRP A 132
 None
 0.88A 1tkqB-6aonA:
undetectable		 1tkqB-6aonA:
3.98
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.
6bhn METHYL-ACCEPTING
CHEMOTAXIS SENSORY
TRANSDUCER WITH
PHYTOCHROME SENSOR

(Nostoc
punctiforme) 		no annotation 3 ALA A 622
VAL A 639
TRP A 643
 CYC  A 800 ( 4.6A)
None
None
 0.91A 1tkqB-6bhnA:
undetectable		 1tkqB-6bhnA:
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.
6c2j RNAP2

(Escherichia
virus N4) 		no annotation 3 ALA B  54
VAL B  56
TRP B  59
 None
 0.94A 1tkqB-6c2jB:
undetectable		 1tkqB-6c2jB:
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.
6cip PYRUVATE-FERREDOXIN
OXIDOREDUCTASE

(Moorella
thermoacetica) 		no annotation 3 ALA A1095
VAL A1093
TRP A1098
 None
 0.86A 1tkqB-6cipA:
undetectable		 1tkqB-6cipA:
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.
6ez8 HUNTINGTIN

(Homo sapiens) 		no annotation 3 ALA A1827
VAL A1829
TRP A1832
 None
 0.87A 1tkqB-6ez8A:
undetectable		 1tkqB-6ez8A:
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.
6gk6 -

(-) 		no annotation 3 ALA A 317
VAL A 315
TRP A 297
 None
 0.89A 1tkqB-6gk6A:
undetectable		 1tkqB-6gk6A:
undetectable