SIMILAR PATTERNS OF AMINO ACIDS FOR 1NT2_A_SAMA301_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.
1dtd CARBOXYPEPTIDASE A2

(Homo sapiens)
PF00246
(Peptidase_M14)
3 THR A 433
GLU A 427
ASP A 498
None
ZN  A 301 (-2.6A)
GLU  A 300 ( 4.5A)
0.84A 1nt2A-1dtdA:
undetectable
1nt2A-1dtdA:
23.57
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.
1ej6 LAMBDA1

(Reovirus sp.)
no annotation 3 THR B 762
GLU B 770
ASP B 777
None
0.82A 1nt2A-1ej6B:
undetectable
1nt2A-1ej6B:
10.25
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.
1eth TRIACYLGLYCEROL
ACYL-HYDROLASE


(Sus scrofa)
PF00151
(Lipase)
PF01477
(PLAT)
3 THR A 256
GLU A  84
ASP A 106
None
0.74A 1nt2A-1ethA:
2.4
1nt2A-1ethA:
19.40
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.
1f1u HOMOPROTOCATECHUATE
2,3-DIOXYGENASE


(Arthrobacter
globiformis)
PF00903
(Glyoxalase)
3 THR A   7
GLU A 171
ASP A 180
None
0.84A 1nt2A-1f1uA:
0.2
1nt2A-1f1uA:
19.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f5n INTERFERON-INDUCED
GUANYLATE-BINDING
PROTEIN 1


(Homo sapiens)
PF02263
(GBP)
PF02841
(GBP_C)
3 THR A 532
GLU A 526
ASP A 359
None
0.70A 1nt2A-1f5nA:
0.0
1nt2A-1f5nA:
16.58
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.
1fep FERRIC ENTEROBACTIN
RECEPTOR


(Escherichia
coli)
PF00593
(TonB_dep_Rec)
PF07715
(Plug)
3 THR A 708
GLU A 711
ASP A 676
None
0.53A 1nt2A-1fepA:
undetectable
1nt2A-1fepA:
14.46
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.
1ile ISOLEUCYL-TRNA
SYNTHETASE


(Thermus
thermophilus)
PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
3 THR A 278
GLU A 261
ASP A 313
None
0.87A 1nt2A-1ileA:
undetectable
1nt2A-1ileA:
15.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ixr RUVB

(Thermus
thermophilus)
PF05491
(RuvB_C)
PF05496
(RuvB_N)
3 THR C 145
GLU C 283
ASP C 277
None
0.78A 1nt2A-1ixrC:
0.5
1nt2A-1ixrC:
22.46
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.
1lrv LEUCINE-RICH REPEAT
VARIANT


(Azotobacter
vinelandii)
PF01816
(LRV)
PF05484
(LRV_FeS)
3 THR A 209
GLU A 183
ASP A 159
None
0.73A 1nt2A-1lrvA:
undetectable
1nt2A-1lrvA:
22.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n8p CYSTATHIONINE
GAMMA-LYASE


(Saccharomyces
cerevisiae)
PF01053
(Cys_Met_Meta_PP)
3 THR A  10
GLU A  17
ASP A  20
None
0.85A 1nt2A-1n8pA:
0.5
1nt2A-1n8pA:
19.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nt2 FIBRILLARIN-LIKE
PRE-RRNA PROCESSING
PROTEIN


(Archaeoglobus
fulgidus)
PF01269
(Fibrillarin)
3 THR A  70
GLU A  88
ASP A 113
SAM  A 301 (-3.1A)
SAM  A 301 (-2.4A)
SAM  A 301 (-3.6A)
0.01A 1nt2A-1nt2A:
42.3
1nt2A-1nt2A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1prn PORIN

(Rhodobacter
blasticus)
PF13609
(Porin_4)
3 THR A 183
GLU A 162
ASP A 156
None
0.72A 1nt2A-1prnA:
undetectable
1nt2A-1prnA:
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.
1rc9 CYSTEINE-RICH
SECRETORY PROTEIN


(Trimeresurus
stejnegeri)
PF00188
(CAP)
PF08562
(Crisp)
3 THR A 184
GLU A  69
ASP A  47
None
0.84A 1nt2A-1rc9A:
undetectable
1nt2A-1rc9A:
20.99
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.
1tvz 3-HYDROXY-3-METHYLGL
UTARYL-COA SYNTHASE


(Staphylococcus
aureus)
PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C)
3 THR A 278
GLU A 109
ASP A 181
None
0.85A 1nt2A-1tvzA:
undetectable
1nt2A-1tvzA:
18.99
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.
1vq7 50S RIBOSOMAL
PROTEIN L30P


(Haloarcula
marismortui)
PF00327
(Ribosomal_L30)
3 THR W 143
GLU W  37
ASP W  39
None
None
C  0 946 ( 4.6A)
0.82A 1nt2A-1vq7W:
undetectable
1nt2A-1vq7W:
21.92
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.
1vzv VARICELLA-ZOSTER
VIRUS PROTEASE


(Human
alphaherpesvirus
3)
PF00716
(Peptidase_S21)
3 THR A 158
GLU A 106
ASP A  99
None
0.70A 1nt2A-1vzvA:
undetectable
1nt2A-1vzvA:
21.37
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.
1wir PROTEIN ARGININE
N-METHYLTRANSFERASE
3


(Mus musculus)
no annotation 3 THR A 112
GLU A 108
ASP A  44
None
0.69A 1nt2A-1wirA:
undetectable
1nt2A-1wirA:
21.00
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.
1x9e HMG-COA SYNTHASE

(Enterococcus
faecalis)
PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C)
3 THR A 278
GLU A 109
ASP A 181
None
0.78A 1nt2A-1x9eA:
undetectable
1nt2A-1x9eA:
21.83
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.
1x9n DNA LIGASE I

(Homo sapiens)
PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C)
3 THR A 506
GLU A 734
ASP A 730
None
0.76A 1nt2A-1x9nA:
undetectable
1nt2A-1x9nA:
16.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ys7 TRANSCRIPTIONAL
REGULATORY PROTEIN
PRRA


(Mycobacterium
tuberculosis)
PF00072
(Response_reg)
PF00486
(Trans_reg_C)
3 THR A  71
GLU A  99
ASP A  93
None
0.84A 1nt2A-1ys7A:
undetectable
1nt2A-1ys7A:
23.75
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.
1z6o FERRITIN LIGHT CHAIN

(Trichoplusia ni)
PF00210
(Ferritin)
3 THR A 132
GLU A  50
ASP A 104
None
0.83A 1nt2A-1z6oA:
undetectable
1nt2A-1z6oA:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z8l GLUTAMATE
CARBOXYPEPTIDASE II


(Homo sapiens)
PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28)
3 THR A 461
GLU A 457
ASP A 387
None
None
ZN  A1751 ( 2.6A)
0.80A 1nt2A-1z8lA:
undetectable
1nt2A-1z8lA:
15.00
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.
1zef ALKALINE PHOSPHATASE

(Homo sapiens)
PF00245
(Alk_phosphatase)
3 THR A 355
GLU A 311
ASP A 273
None
MG  A 903 (-2.6A)
None
0.65A 1nt2A-1zefA:
1.5
1nt2A-1zefA:
16.74
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.
1zke HYPOTHETICAL PROTEIN
HP1531


(Helicobacter
pylori)
PF10398
(DUF2443)
3 THR A  53
GLU A  58
ASP A  11
None
0.87A 1nt2A-1zkeA:
undetectable
1nt2A-1zkeA:
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.
2ae8 IMIDAZOLEGLYCEROL-PH
OSPHATE DEHYDRATASE


(Staphylococcus
aureus)
PF00475
(IGPD)
3 THR A  42
GLU A 162
ASP A  97
None
MG  A1001 ( 2.6A)
None
0.81A 1nt2A-2ae8A:
undetectable
1nt2A-2ae8A:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ap9 ACETYLGLUTAMATE
KINASE


(Mycobacterium
tuberculosis)
PF00696
(AA_kinase)
3 THR A 215
GLU A 282
ASP A 286
None
0.76A 1nt2A-2ap9A:
4.1
1nt2A-2ap9A:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bvt BETA-1,4-MANNANASE

(Cellulomonas
fimi)
PF02156
(Glyco_hydro_26)
3 THR A  40
GLU A 320
ASP A 246
None
0.81A 1nt2A-2bvtA:
undetectable
1nt2A-2bvtA:
17.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d7t ANTI
POLYHYDROXYBUTYRATE
ANTIBODY FV, HEAVY
CHAIN
ANTI
POLYHYDROXYBUTYRATE
ANTIBODY FV, LIGHT
CHAIN


(Homo sapiens;
Homo sapiens)
PF07686
(V-set)
PF07686
(V-set)
3 THR L  97
GLU H  46
ASP H  90
None
0.87A 1nt2A-2d7tL:
undetectable
1nt2A-2d7tL:
20.10
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.
2dfs MYOSIN-5A

(Gallus gallus)
PF00063
(Myosin_head)
PF00612
(IQ)
3 THR A 655
GLU A 145
ASP A 134
None
0.86A 1nt2A-2dfsA:
undetectable
1nt2A-2dfsA:
11.23
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.
2ebz REGULATOR OF
G-PROTEIN SIGNALING
12


(Homo sapiens)
PF00615
(RGS)
3 THR A  82
GLU A  42
ASP A  34
None
0.86A 1nt2A-2ebzA:
undetectable
1nt2A-2ebzA:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f7l 455AA LONG
HYPOTHETICAL
PHOSPHO-SUGAR MUTASE


(Sulfurisphaera
tokodaii)
PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III)
3 THR A 143
GLU A  58
ASP A  51
None
0.77A 1nt2A-2f7lA:
undetectable
1nt2A-2f7lA:
19.04
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.
2gbx BIPHENYL
2,3-DIOXYGENASE
ALPHA SUBUNIT


(Sphingobium
yanoikuyae)
PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A)
3 THR A  72
GLU A 140
ASP A 159
None
0.69A 1nt2A-2gbxA:
undetectable
1nt2A-2gbxA:
18.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ipx RRNA
2'-O-METHYLTRANSFERA
SE FIBRILLARIN


(Homo sapiens)
PF01269
(Fibrillarin)
3 THR A 173
GLU A 192
ASP A 217
None
MTA  A4001 (-2.7A)
MTA  A4001 (-3.4A)
0.23A 1nt2A-2ipxA:
27.5
1nt2A-2ipxA:
43.78
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.
2k9x UNCHARACTERIZED
PROTEIN


(Trypanosoma
brucei)
PF09138
(Urm1)
3 THR A  23
GLU A  94
ASP A  76
None
0.82A 1nt2A-2k9xA:
undetectable
1nt2A-2k9xA:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2kkn UNCHARACTERIZED
PROTEIN


(Thermotoga
maritima)
PF12850
(Metallophos_2)
3 THR A 156
GLU A 153
ASP A 146
None
0.77A 1nt2A-2kknA:
undetectable
1nt2A-2kknA:
21.60
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.
2l1l CAMP-DEPENDENT
PROTEIN KINASE
INHIBITOR ALPHA
EXPORTIN-1


(Homo sapiens;
Homo sapiens)
no annotation
no annotation
3 THR B 620
GLU B 571
ASP A  18
None
0.78A 1nt2A-2l1lB:
undetectable
1nt2A-2l1lB:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o1m PROBABLE AMINO-ACID
ABC TRANSPORTER
EXTRACELLULAR-BINDIN
G PROTEIN YTMK


(Bacillus
subtilis)
PF00497
(SBP_bac_3)
3 THR A 232
GLU A  44
ASP A  33
None
0.78A 1nt2A-2o1mA:
undetectable
1nt2A-2o1mA:
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.
2o1w ENDOPLASMIN

(Canis lupus)
PF00183
(HSP90)
PF02518
(HATPase_c)
3 THR A 490
GLU A 487
ASP A 367
None
0.78A 1nt2A-2o1wA:
undetectable
1nt2A-2o1wA:
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.
2o5p FERRIPYOVERDINE
RECEPTOR


(Pseudomonas
aeruginosa)
PF00593
(TonB_dep_Rec)
PF07660
(STN)
PF07715
(Plug)
3 THR A 462
GLU A 403
ASP A 339
None
0.79A 1nt2A-2o5pA:
undetectable
1nt2A-2o5pA:
14.64
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.
2pfr ARYLAMINE
N-ACETYLTRANSFERASE
2


(Homo sapiens)
PF00797
(Acetyltransf_2)
3 THR A 207
GLU A  49
ASP A  57
None
0.83A 1nt2A-2pfrA:
undetectable
1nt2A-2pfrA:
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.
2r4s ANTIBODY FOR BETA2
ADRENOCEPTOR, HEAVY
CHAIN
ANTIBODY FOR BETA2
ADRENOCEPTOR, LIGHT
CHAIN


(Mus musculus;
Mus musculus)
PF07654
(C1-set)
PF07686
(V-set)
PF07654
(C1-set)
PF07686
(V-set)
3 THR L  97
GLU H  46
ASP H  90
None
0.86A 1nt2A-2r4sL:
undetectable
1nt2A-2r4sL:
24.26
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.
2wyo GLUTATHIONE
SYNTHETASE


(Trypanosoma
brucei)
PF03199
(GSH_synthase)
PF03917
(GSH_synth_ATP)
3 THR A 457
GLU A 464
ASP A  89
None
0.78A 1nt2A-2wyoA:
undetectable
1nt2A-2wyoA:
18.22
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.
2xd7 CORE HISTONE
MACRO-H2A.2


(Homo sapiens)
PF01661
(Macro)
3 THR A 325
GLU A 291
ASP A 340
None
0.75A 1nt2A-2xd7A:
undetectable
1nt2A-2xd7A:
23.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xyd ANGIOTENSIN-CONVERTI
NG ENZYME


(Homo sapiens)
PF01401
(Peptidase_M2)
3 THR A 358
GLU A 262
ASP A 266
3ES  A1611 (-3.6A)
3ES  A1611 ( 4.7A)
None
0.78A 1nt2A-2xydA:
undetectable
1nt2A-2xydA:
14.31
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.
2yln PUTATIVE ABC
TRANSPORTER,
PERIPLASMIC BINDING
PROTEIN, AMINO ACID


(Neisseria
gonorrhoeae)
PF00497
(SBP_bac_3)
3 THR A 259
GLU A  77
ASP A  66
None
0.87A 1nt2A-2ylnA:
undetectable
1nt2A-2ylnA:
20.78
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.
2zwa LEUCINE CARBOXYL
METHYLTRANSFERASE 2


(Saccharomyces
cerevisiae)
PF04072
(LCM)
PF13418
(Kelch_4)
3 THR A 684
GLU A 383
ASP A 422
None
0.84A 1nt2A-2zwaA:
8.6
1nt2A-2zwaA:
15.26
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.
3bbj PUTATIVE
THIOESTERASE II


(Thermobifida
fusca)
PF13622
(4HBT_3)
3 THR A 169
GLU A 172
ASP A 251
None
0.78A 1nt2A-3bbjA:
undetectable
1nt2A-3bbjA:
22.83
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.
3bfm BIOTIN PROTEIN
LIGASE-LIKE PROTEIN
OF UNKNOWN FUNCTION


(Ruegeria sp.
TM1040)
PF14563
(DUF4444)
PF16917
(BPL_LplA_LipB_2)
3 THR A  45
GLU A  42
ASP A  24
None
CA  A 235 (-2.1A)
None
0.84A 1nt2A-3bfmA:
undetectable
1nt2A-3bfmA:
22.40
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.
3bxo N,N-DIMETHYLTRANSFER
ASE


(Streptomyces
venezuelae)
PF13649
(Methyltransf_25)
3 THR A  51
GLU A  67
ASP A  89
None
SAM  A 238 (-2.7A)
SAM  A 238 (-3.0A)
0.54A 1nt2A-3bxoA:
13.7
1nt2A-3bxoA:
23.40
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.
3f7w PUTATIVE
FRUCTOSAMINE-3-KINAS
E


(Thermobifida
fusca)
PF03881
(Fructosamin_kin)
3 THR A  85
GLU A  60
ASP A 193
None
EDO  A 293 (-3.5A)
None
0.84A 1nt2A-3f7wA:
undetectable
1nt2A-3f7wA:
20.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ffv PROTEIN SYD

(Escherichia
coli)
PF07348
(Syd)
3 THR A  79
GLU A  66
ASP A  70
None
0.79A 1nt2A-3ffvA:
undetectable
1nt2A-3ffvA:
21.24
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.
3frk QDTB

(Thermoanaerobacterium
thermosaccharolyticum)
PF01041
(DegT_DnrJ_EryC1)
3 THR A 199
GLU A  42
ASP A  36
None
0.68A 1nt2A-3frkA:
2.1
1nt2A-3frkA:
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.
3fxb TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT


(Ruegeria
pomeroyi)
PF03480
(DctP)
3 THR A  67
GLU A  73
ASP A 294
None
0.87A 1nt2A-3fxbA:
undetectable
1nt2A-3fxbA:
19.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gbr ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE


(Sulfolobus
solfataricus)
PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
3 THR A 249
GLU A 286
ASP A 281
None
0.85A 1nt2A-3gbrA:
2.8
1nt2A-3gbrA:
22.73
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.
3i1c DIISOPROPYL-FLUOROPH
OSPHATASE


(Loligo vulgaris)
PF08450
(SGL)
3 THR A 159
GLU A 127
ASP A 184
None
0.85A 1nt2A-3i1cA:
undetectable
1nt2A-3i1cA:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3igo CALMODULIN-DOMAIN
PROTEIN KINASE 1


(Cryptosporidium
parvum)
PF00069
(Pkinase)
PF13499
(EF-hand_7)
3 THR A 156
GLU A 153
ASP A 131
None
0.76A 1nt2A-3igoA:
undetectable
1nt2A-3igoA:
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.
3ivu HOMOCITRATE
SYNTHASE,
MITOCHONDRIAL


(Schizosaccharomyces
pombe)
PF00682
(HMGL-like)
3 THR A 249
GLU A 291
ASP A 396
None
0.82A 1nt2A-3ivuA:
undetectable
1nt2A-3ivuA:
19.39
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.
3jb9 PRE-MRNA-SPLICING
FACTOR CWF11


(Schizosaccharomyces
pombe)
PF13087
(AAA_12)
PF16399
(Aquarius_N)
3 THR X1236
GLU X1085
ASP X1076
None
0.80A 1nt2A-3jb9X:
undetectable
1nt2A-3jb9X:
10.31
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.
3kfl METHIONYL-TRNA
SYNTHETASE


(Leishmania
major)
PF09334
(tRNA-synt_1g)
3 THR A 367
GLU A 337
ASP A 445
None
0.86A 1nt2A-3kflA:
2.7
1nt2A-3kflA:
18.37
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.
3kjl PROTEIN SUS1
SAGA-ASSOCIATED
FACTOR 11


(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae)
PF10163
(EnY2)
no annotation
3 THR A  56
GLU E  31
ASP A  40
None
0.81A 1nt2A-3kjlA:
undetectable
1nt2A-3kjlA:
22.55
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.
3ljb INTERFERON-INDUCED
GTP-BINDING PROTEIN
MX1


(Homo sapiens)
PF01031
(Dynamin_M)
PF02212
(GED)
3 THR A 416
GLU A 410
ASP A 478
None
0.74A 1nt2A-3ljbA:
undetectable
1nt2A-3ljbA:
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.
3mgz 3,4-DIHYDROXY-2-BUTA
NONE 4-PHOSPHATE
SYNTHASE


(Mycobacterium
tuberculosis)
PF00926
(DHBP_synthase)
3 THR A  53
GLU A  31
ASP A  25
None
0.63A 1nt2A-3mgzA:
undetectable
1nt2A-3mgzA:
19.73
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.
3mq9 BONE MARROW STROMAL
ANTIGEN 2 FUSED TO
MALTOSE-BINDING
PERIPLASMIC PROTEIN


(Escherichia
coli;
Homo sapiens)
PF13416
(SBP_bac_8)
PF16716
(BST2)
3 THR A 237
GLU A 214
ASP A 209
None
0.72A 1nt2A-3mq9A:
undetectable
1nt2A-3mq9A:
18.22
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.
3n9b PROBABLE
ATP-DEPENDENT DNA
LIGASE


(Pseudomonas
aeruginosa)
PF13298
(LigD_N)
3 THR A 114
GLU A  54
ASP A  87
None
0.72A 1nt2A-3n9bA:
undetectable
1nt2A-3n9bA:
22.64
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.
3nz4 PHENYLALANINE
AMMONIA-LYASE


(Taxus
canadensis)
PF00221
(Lyase_aromatic)
3 THR A 256
GLU A 263
ASP A 303
None
0.62A 1nt2A-3nz4A:
undetectable
1nt2A-3nz4A:
16.27
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.
3o80 HEXOKINASE

(Kluyveromyces
lactis)
PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2)
3 THR A  35
GLU A 385
ASP A 352
ANP  A 487 (-4.2A)
None
None
0.83A 1nt2A-3o80A:
undetectable
1nt2A-3o80A:
18.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3odp PUTATIVE
TAGATOSE-6-PHOSPHATE
KETOSE/ALDOSE
ISOMERASE


(Clostridium
novyi)
PF01380
(SIS)
3 THR A 124
GLU A 131
ASP A 136
None
0.86A 1nt2A-3odpA:
3.5
1nt2A-3odpA:
21.43
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.
3ox4 ALCOHOL
DEHYDROGENASE 2


(Zymomonas
mobilis)
PF00465
(Fe-ADH)
3 THR A 206
GLU A 201
ASP A 194
None
None
FE2  A 501 (-2.2A)
0.74A 1nt2A-3ox4A:
3.1
1nt2A-3ox4A:
17.81
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.
3pe7 OLIGOGALACTURONATE
LYASE


(Yersinia
enterocolitica)
PF14583
(Pectate_lyase22)
3 THR A 226
GLU A 223
ASP A 135
None
0.86A 1nt2A-3pe7A:
undetectable
1nt2A-3pe7A:
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.
3psg PEPSINOGEN

(Sus scrofa)
PF00026
(Asp)
PF07966
(A1_Propeptide)
3 THR A 283
GLU A 287
ASP A 290
None
0.74A 1nt2A-3psgA:
undetectable
1nt2A-3psgA:
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.
3pt1 UPF0364 PROTEIN
YMR027W


(Saccharomyces
cerevisiae)
PF01937
(DUF89)
3 THR A 203
GLU A 156
ASP A 325
None
0.73A 1nt2A-3pt1A:
4.0
1nt2A-3pt1A:
17.83
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.
3q33 HISTONE
ACETYLTRANSFERASE
RTT109


(Saccharomyces
cerevisiae)
PF08214
(HAT_KAT11)
3 THR A 372
GLU A 378
ASP A 385
None
0.84A 1nt2A-3q33A:
2.1
1nt2A-3q33A:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qm1 CINNAMOYL ESTERASE

(Lactobacillus
johnsonii)
PF12146
(Hydrolase_4)
3 THR A   3
GLU A  18
ASP A  52
None
0.83A 1nt2A-3qm1A:
4.2
1nt2A-3qm1A:
21.36
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.
3qmq AUTOINDUCER-2 (AI-2)
MODIFYING PROTEIN
LSRG


(Escherichia
coli)
PF03992
(ABM)
3 THR A  73
GLU A  17
ASP A  13
None
0.86A 1nt2A-3qmqA:
undetectable
1nt2A-3qmqA:
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.
3rc3 ATP-DEPENDENT RNA
HELICASE SUPV3L1,
MITOCHONDRIAL


(Homo sapiens)
PF00271
(Helicase_C)
PF12513
(SUV3_C)
3 THR A 209
GLU A 322
ASP A 503
ANP  A 801 (-3.5A)
None
None
0.86A 1nt2A-3rc3A:
undetectable
1nt2A-3rc3A:
16.39
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.
3rf7 IRON-CONTAINING
ALCOHOL
DEHYDROGENASE


(Shewanella
denitrificans)
PF00465
(Fe-ADH)
3 THR A 206
GLU A 201
ASP A 194
None
None
FE  A 360 (-2.0A)
0.83A 1nt2A-3rf7A:
undetectable
1nt2A-3rf7A:
19.36
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.
3rys ADENOSINE DEAMINASE
1


(Paenarthrobacter
aurescens)
PF00962
(A_deaminase)
3 THR A 245
GLU A 202
ASP A  58
None
ADE  A 345 (-2.8A)
None
0.85A 1nt2A-3rysA:
undetectable
1nt2A-3rysA:
19.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sgg HYPOTHETICAL
HYDROLASE


(Bacteroides
thetaiotaomicron)
PF14323
(GxGYxYP_C)
PF16216
(GxGYxYP_N)
3 THR A 513
GLU A 474
ASP A 433
None
0.69A 1nt2A-3sggA:
undetectable
1nt2A-3sggA:
18.10
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.
3sqz PUTATIVE
HYDROXYMETHYLGLUTARY
L-COA SYNTHASE


(Streptococcus
mutans)
PF00195
(Chal_sti_synt_N)
PF08540
(HMG_CoA_synt_C)
3 THR A 279
GLU A 109
ASP A 181
None
0.83A 1nt2A-3sqzA:
undetectable
1nt2A-3sqzA:
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.
3sv0 CASEIN KINASE I-LIKE

(Oryza sativa)
PF00069
(Pkinase)
3 THR A  63
GLU A 117
ASP A 265
None
0.83A 1nt2A-3sv0A:
undetectable
1nt2A-3sv0A:
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.
3t8l ADENINE DEAMINASE 2

(Agrobacterium
fabrum)
PF01979
(Amidohydro_1)
PF13382
(Adenine_deam_C)
3 THR A 283
GLU A 258
ASP A 120
None
0.76A 1nt2A-3t8lA:
undetectable
1nt2A-3t8lA:
15.16
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.
3tbk RIG-I HELICASE
DOMAIN


(Mus musculus)
PF00271
(Helicase_C)
PF04851
(ResIII)
3 THR A 507
GLU A 717
ASP A 614
None
0.70A 1nt2A-3tbkA:
3.7
1nt2A-3tbkA:
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.
3tlm SARCOPLASMIC/ENDOPLA
SMIC RETICULUM
CALCIUM ATPASE 1


(Bos taurus)
PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF08282
(Hydrolase_3)
PF13246
(Cation_ATPase)
3 THR A 741
GLU A 747
ASP A 814
None
0.83A 1nt2A-3tlmA:
undetectable
1nt2A-3tlmA:
11.90
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.
3tm5 CRYSTAL STRUCTURE OF
TRM14


(Pyrococcus
furiosus)
PF01170
(UPF0020)
PF02926
(THUMP)
3 THR A 230
GLU A 248
ASP A 276
SFG  A 401 (-3.3A)
SFG  A 401 (-2.6A)
SFG  A 401 (-3.4A)
0.68A 1nt2A-3tm5A:
14.1
1nt2A-3tm5A:
19.20
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.
3txa CELL WALL SURFACE
ANCHOR FAMILY
PROTEIN


(Streptococcus
agalactiae)
PF00092
(VWA)
3 THR A 211
GLU A 208
ASP A 176
None
0.78A 1nt2A-3txaA:
undetectable
1nt2A-3txaA:
15.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uaq LBPB B-LOBE

(Moraxella bovis)
PF01298
(TbpB_B_D)
PF17484
(TbpB_A)
3 THR A 174
GLU A 320
ASP A 160
None
0.80A 1nt2A-3uaqA:
undetectable
1nt2A-3uaqA:
18.93
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.
3uof BACTERIOFERRITIN

(Mycobacterium
tuberculosis)
PF00210
(Ferritin)
3 THR A 115
GLU A  57
ASP A  50
None
0.70A 1nt2A-3uofA:
undetectable
1nt2A-3uofA:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uw3 ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE


(Burkholderia
thailandensis)
PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC)
3 THR A 156
GLU A 241
ASP A 232
None
0.78A 1nt2A-3uw3A:
3.5
1nt2A-3uw3A:
21.39
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.
3vdz UBIQUITIN-40S
RIBOSOMAL PROTEIN
S27A


(Homo sapiens;
synthetic
construct)
PF00240
(ubiquitin)
3 THR A 155
GLU A 118
ASP A  86
None
None
GD  A 202 (-3.3A)
0.55A 1nt2A-3vdzA:
undetectable
1nt2A-3vdzA:
21.74
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.
3ved DYPB

(Rhodococcus
jostii)
PF04261
(Dyp_perox)
3 THR A 228
GLU A 239
ASP A 162
None
0.83A 1nt2A-3vedA:
undetectable
1nt2A-3vedA:
20.56
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.
3vkg DYNEIN HEAVY CHAIN,
CYTOPLASMIC


(Dictyostelium
discoideum)
PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9)
3 THR A2251
GLU A2257
ASP A2201
None
0.86A 1nt2A-3vkgA:
undetectable
1nt2A-3vkgA:
5.39
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.
3vor CFA/III PILIN

(Escherichia
coli)
PF05946
(TcpA)
3 THR A 148
GLU A  97
ASP A  75
None
0.79A 1nt2A-3vorA:
undetectable
1nt2A-3vorA:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wvj BETA-GLUCANASE

(Ruminiclostridium
thermocellum)
PF00722
(Glyco_hydro_16)
3 THR A  70
GLU A 236
ASP A 174
None
0.77A 1nt2A-3wvjA:
undetectable
1nt2A-3wvjA:
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.
3x0y DSZC

(Rhodococcus
erythropolis)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
PF08028
(Acyl-CoA_dh_2)
3 THR A  75
GLU A  82
ASP A 271
None
0.84A 1nt2A-3x0yA:
undetectable
1nt2A-3x0yA:
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.
4bp8 OLIGOPEPTIDASE B

(Trypanosoma
brucei)
PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N)
3 THR A 124
GLU A 131
ASP A 136
None
0.82A 1nt2A-4bp8A:
undetectable
1nt2A-4bp8A:
14.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c00 TRANSLOCATION AND
ASSEMBLY MODULE TAMA


(Escherichia
coli)
PF01103
(Bac_surface_Ag)
PF07244
(POTRA)
PF17243
(POTRA_TamA_1)
3 THR A 536
GLU A 524
ASP A 528
MC3  A 603 (-3.2A)
None
None
0.54A 1nt2A-4c00A:
undetectable
1nt2A-4c00A:
17.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c0a IQ MOTIF AND SEC7
DOMAIN-CONTAINING
PROTEIN 1


(Homo sapiens)
PF01369
(Sec7)
PF16453
(IQ_SEC7_PH)
3 THR A 433
GLU A 474
ASP A 476
None
0.80A 1nt2A-4c0aA:
undetectable
1nt2A-4c0aA:
18.37
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.
4ce4 MRPL4

(Sus scrofa)
PF00573
(Ribosomal_L4)
3 THR F 197
GLU F 194
ASP F 191
None
0.85A 1nt2A-4ce4F:
undetectable
1nt2A-4ce4F:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cgt CYCLODEXTRIN
GLYCOSYLTRANSFERASE


(Bacillus
circulans)
PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C)
3 THR A 619
GLU A 610
ASP A 583
None
0.84A 1nt2A-4cgtA:
undetectable
1nt2A-4cgtA:
13.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4df3 FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE


(Aeropyrum
pernix)
PF01269
(Fibrillarin)
3 THR A  90
GLU A 109
ASP A 134
SAM  A 301 (-3.9A)
SAM  A 301 (-2.9A)
SAM  A 301 (-3.3A)
0.46A 1nt2A-4df3A:
28.1
1nt2A-4df3A:
44.21