SIMILAR PATTERNS OF AMINO ACIDS FOR 4XDT_A_ACTA407_0

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.
1ad3 ALDEHYDE
DEHYDROGENASE (CLASS
3)


(Rattus
norvegicus)
PF00171
(Aldedh)
3 ASP A 147
GLY A 143
ASP A  50
None
0.64A 4xdtA-1ad3A:
0.0
4xdtA-1ad3A:
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.
1cyg CYCLODEXTRIN
GLUCANOTRANSFERASE


(Geobacillus
stearothermophilus)
PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C)
3 ASP A 461
GLY A 458
ASP A 454
None
0.69A 4xdtA-1cygA:
0.0
4xdtA-1cygA:
16.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e9y UREASE SUBUNIT ALPHA

(Helicobacter
pylori)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
3 ASP A 157
GLY A 225
ASP A 155
None
0.67A 4xdtA-1e9yA:
0.0
4xdtA-1e9yA:
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.
1h71 SERRALYSIN

(Pseudomonas sp.
'TAC II 18')
PF00413
(Peptidase_M10)
PF08548
(Peptidase_M10_C)
3 ASP P 341
GLY P 360
ASP P 362
None
CA  P 504 (-4.5A)
CA  P 505 ( 2.4A)
0.68A 4xdtA-1h71P:
0.0
4xdtA-1h71P:
22.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1i6q LACTOFERRIN

(Camelus
dromedarius)
PF00405
(Transferrin)
3 ASP A  66
GLY A  62
ASP A  60
None
0.60A 4xdtA-1i6qA:
0.0
4xdtA-1i6qA:
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.
1jch COLICIN E3 IMMUNITY
PROTEIN


(Escherichia
coli)
PF03513
(Cloacin_immun)
3 ASP B  27
GLY B   1
ASP B  24
GOL  B 702 (-3.2A)
GOL  B 702 (-3.4A)
None
0.68A 4xdtA-1jchB:
undetectable
4xdtA-1jchB:
13.33
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.
1k25 LOW-AFFINITY
PENICILLIN-BINDING
PROTEIN 2X


(Streptococcus
pneumoniae)
PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
PF03793
(PASTA)
3 ASP A  90
GLY A  77
ASP A 260
None
0.62A 4xdtA-1k25A:
0.0
4xdtA-1k25A:
19.10
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.
1mio NITROGENASE
MOLYBDENUM IRON
PROTEIN (BETA CHAIN)


(Clostridium
pasteurianum)
PF00148
(Oxidored_nitro)
3 ASP B 247
GLY B 242
ASP B 322
None
0.69A 4xdtA-1mioB:
0.0
4xdtA-1mioB:
20.75
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.
1qor QUINONE
OXIDOREDUCTASE


(Escherichia
coli)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
3 ASP A 220
GLY A 218
ASP A 215
None
0.67A 4xdtA-1qorA:
0.0
4xdtA-1qorA:
24.54
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.
1rrc POLYNUCLEOTIDE
KINASE


(Escherichia
virus T4)
PF13671
(AAA_33)
3 ASP A 167
GLY A 212
ASP A 254
None
0.61A 4xdtA-1rrcA:
undetectable
4xdtA-1rrcA:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1spp MAJOR SEMINAL PLASMA
GLYCOPROTEIN PSP-I


(Sus scrofa)
PF00431
(CUB)
3 ASP A   5
GLY A  18
ASP A  15
None
0.64A 4xdtA-1sppA:
undetectable
4xdtA-1sppA:
17.90
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.
1tz6 PUTATIVE SUGAR
KINASE


(Salmonella
enterica)
PF00294
(PfkB)
3 ASP A  16
GLY A 292
ASP A 246
AIS  A 402 (-2.5A)
K  A 404 (-4.4A)
K  A 404 (-3.5A)
0.62A 4xdtA-1tz6A:
undetectable
4xdtA-1tz6A:
25.96
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.
1vhh SONIC HEDGEHOG

(Mus musculus)
PF01085
(HH_signal)
3 ASP A 148
GLY A 128
ASP A  96
ZN  A 400 ( 2.1A)
None
None
0.60A 4xdtA-1vhhA:
undetectable
4xdtA-1vhhA:
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.
1wly 2-HALOACRYLATE
REDUCTASE


(Burkholderia
sp. WS)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
3 ASP A 225
GLY A 223
ASP A 220
ASP  A 225 ( 0.5A)
GLY  A 223 ( 0.0A)
ASP  A 220 ( 0.6A)
0.62A 4xdtA-1wlyA:
undetectable
4xdtA-1wlyA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT


(Sulfurisphaera
tokodaii)
PF01039
(Carboxyl_trans)
3 ASP A 266
GLY A 268
ASP A 269
None
0.64A 4xdtA-1x0uA:
0.5
4xdtA-1x0uA:
22.44
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.
1zbo HYPOTHETICAL PROTEIN
BPP1347


(Bordetella
parapertussis)
PF02190
(LON_substr_bdg)
3 ASP A 115
GLY A 160
ASP A 158
None
0.69A 4xdtA-1zboA:
undetectable
4xdtA-1zboA:
21.90
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.
2ga0 SURFACE PROTEIN VSPA

(Borrelia
turicatae)
PF01441
(Lipoprotein_6)
3 ASP A  87
GLY A  76
ASP A 154
NI  A  14 (-2.4A)
None
None
0.70A 4xdtA-2ga0A:
undetectable
4xdtA-2ga0A:
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.
2hyk BETA-1,3-GLUCANASE

(Nocardiopsis
sp. F96)
PF00722
(Glyco_hydro_16)
3 ASP A 237
GLY A  58
ASP A  55
CA  A 477 ( 3.3A)
CA  A 477 ( 3.8A)
None
0.65A 4xdtA-2hykA:
undetectable
4xdtA-2hykA:
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.
2j0a BETA-1,3-N-ACETYLGLU
COSAMINYLTRANSFERASE
MANIC FRINGE


(Mus musculus)
PF02434
(Fringe)
3 ASP A 232
GLY A 198
ASP A 142
None
0.66A 4xdtA-2j0aA:
undetectable
4xdtA-2j0aA:
21.61
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.
2oox HYPOTHETICAL PROTEIN
C1556.08C IN
CHROMOSOME I


(Schizosaccharomyces
pombe)
no annotation 3 ASP G 274
GLY G 278
ASP G 277
None
0.54A 4xdtA-2ooxG:
undetectable
4xdtA-2ooxG:
22.31
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.
2uw1 PLASTID DELTA4
MULTIFUNCTIONAL
ACYL-ACYL CARRIER
PROTEIN DESATURASE


(Hedera helix)
PF03405
(FA_desaturase_2)
3 ASP B 313
GLY B 315
ASP B 244
None
0.66A 4xdtA-2uw1B:
undetectable
4xdtA-2uw1B:
22.74
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.
2v4n MULTIFUNCTIONAL
PROTEIN SUR E


(Salmonella
enterica)
PF01975
(SurE)
3 ASP A  99
GLY A 177
ASP A 213
None
0.62A 4xdtA-2v4nA:
0.4
4xdtA-2v4nA:
22.51
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.
2x8a NUCLEAR
VALOSIN-CONTAINING
PROTEIN-LIKE


(Homo sapiens)
PF00004
(AAA)
3 ASP A 588
GLY A 584
ASP A 753
None
0.70A 4xdtA-2x8aA:
undetectable
4xdtA-2x8aA:
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.
2yc2 INTRAFLAGELLAR
TRANSPORT PROTEIN 25


(Chlamydomonas
reinhardtii)
no annotation 3 ASP A  33
GLY A  31
ASP A  30
None
None
CA  A 201 (-3.5A)
0.69A 4xdtA-2yc2A:
undetectable
4xdtA-2yc2A:
15.84
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.
2z8z LIPASE

(Pseudomonas sp.
MIS38)
PF00353
(HemolysinCabind)
3 ASP A 513
GLY A 532
ASP A 534
None
CA  A 625 (-4.3A)
CA  A 625 ( 2.4A)
0.61A 4xdtA-2z8zA:
undetectable
4xdtA-2z8zA:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a8r PUTATIVE
UNCHARACTERIZED
PROTEIN


(Oryza sativa)
PF08414
(NADPH_Ox)
PF13499
(EF-hand_7)
3 ASP A 231
GLY A 229
ASP A 227
None
0.64A 4xdtA-3a8rA:
undetectable
4xdtA-3a8rA:
20.75
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.
3atg GLUCANASE

(Cellulosimicrobium
cellulans)
PF00722
(Glyco_hydro_16)
3 ASP A 233
GLY A  54
ASP A  51
CA  A 301 (-3.4A)
CA  A 301 (-3.7A)
None
0.63A 4xdtA-3atgA:
undetectable
4xdtA-3atgA:
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.
3b95 EUCHROMATIC
HISTONE-LYSINE
N-METHYLTRANSFERASE
1


(Homo sapiens)
PF12796
(Ank_2)
PF13637
(Ank_4)
3 ASP A 872
GLY A 841
ASP A 839
None
0.51A 4xdtA-3b95A:
undetectable
4xdtA-3b95A:
23.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cin MYO-INOSITOL-1-PHOSP
HATE
SYNTHASE-RELATED
PROTEIN


(Thermotoga
maritima)
PF01658
(Inos-1-P_synth)
PF07994
(NAD_binding_5)
3 ASP A 144
GLY A 140
ASP A 190
None
0.60A 4xdtA-3cinA:
undetectable
4xdtA-3cinA:
23.87
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.
3deo SIGNAL RECOGNITION
PARTICLE 43 KDA
PROTEIN


(Arabidopsis
thaliana)
PF12796
(Ank_2)
3 ASP A 224
GLY A 193
ASP A 190
None
0.68A 4xdtA-3deoA:
undetectable
4xdtA-3deoA:
22.00
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.
3dgt ENDO-1,3-BETA-GLUCAN
ASE


(Streptomyces
sioyaensis)
PF00722
(Glyco_hydro_16)
3 ASP A 269
GLY A  66
ASP A  63
MG  A 800 (-3.1A)
MG  A 800 (-3.7A)
None
0.65A 4xdtA-3dgtA:
undetectable
4xdtA-3dgtA:
21.55
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.
3e2d ALKALINE PHOSPHATASE

(Vibrio sp.
G15-21)
PF00245
(Alk_phosphatase)
3 ASP A 280
GLY A 445
ASP A 443
None
0.42A 4xdtA-3e2dA:
undetectable
4xdtA-3e2dA:
22.18
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.
3e2v 3'-5'-EXONUCLEASE

(Saccharomyces
cerevisiae)
PF01026
(TatD_DNase)
3 ASP A 327
GLY A  42
ASP A  40
MG  A 427 (-2.5A)
None
None
0.69A 4xdtA-3e2vA:
undetectable
4xdtA-3e2vA:
23.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eqe PUTATIVE CYSTEIN
DIOXYGENASE


(Bacillus
subtilis)
PF05995
(CDO_I)
3 ASP A 147
GLY A  78
ASP A  76
None
0.63A 4xdtA-3eqeA:
undetectable
4xdtA-3eqeA:
22.15
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.
3evk SUPEROXIDE DISMUTASE
[FE]


(Pyrobaculum
aerophilum)
PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C)
3 ASP A 195
GLY A 191
ASP A 189
None
0.64A 4xdtA-3evkA:
undetectable
4xdtA-3evkA:
21.35
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.
3fg4 ALLENE OXIDE
SYNTHASE-LIPOXYGENAS
E PROTEIN


(Plexaura
homomalla)
PF00305
(Lipoxygenase)
PF01477
(PLAT)
3 ASP A 391
GLY A 446
ASP A 444
None
0.58A 4xdtA-3fg4A:
undetectable
4xdtA-3fg4A:
20.43
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.
3fgb UNCHARACTERIZED
PROTEIN Q89ZH8_BACTN


(Bacteroides
thetaiotaomicron)
PF10282
(Lactonase)
3 ASP A 170
GLY A 232
ASP A 199
None
0.56A 4xdtA-3fgbA:
undetectable
4xdtA-3fgbA:
25.12
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.
3fqd PROTEIN DIN1

(Schizosaccharomyces
pombe)
PF08652
(RAI1)
3 ASP B  53
GLY B 281
ASP B 278
None
0.68A 4xdtA-3fqdB:
undetectable
4xdtA-3fqdB:
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.
3jb9 PRE-MRNA-SPLICING
FACTOR SPP42
PRE-MRNA-SPLICING
FACTOR PRP5


(Schizosaccharomyces
pombe;
Schizosaccharomyces
pombe)
PF08082
(PRO8NT)
PF08083
(PROCN)
PF10596
(U6-snRNA_bdg)
PF10597
(U5_2-snRNA_bdg)
PF10598
(RRM_4)
PF12134
(PRP8_domainIV)
PF00400
(WD40)
3 ASP A 771
GLY K 164
ASP K 184
None
0.68A 4xdtA-3jb9A:
undetectable
4xdtA-3jb9A:
9.62
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.
3jtx AMINOTRANSFERASE

(Neisseria
meningitidis)
PF00155
(Aminotran_1_2)
3 ASP A 337
GLY A 335
ASP A 334
None
0.65A 4xdtA-3jtxA:
0.0
4xdtA-3jtxA:
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.
3jyn QUINONE
OXIDOREDUCTASE


(Pseudomonas
syringae group
genomosp. 3)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
3 ASP A 220
GLY A 218
ASP A 215
None
0.64A 4xdtA-3jynA:
undetectable
4xdtA-3jynA:
24.05
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.
3lif PUTATIVE DIGUANYLATE
CYCLASE (GGDEF) WITH
PAS/PAC DOMAIN


(Rhodopseudomonas
palustris)
PF02743
(dCache_1)
3 ASP A 133
GLY A 119
ASP A 116
None
0.64A 4xdtA-3lifA:
undetectable
4xdtA-3lifA:
24.50
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.
3nqw CG11900

(Drosophila
melanogaster)
PF13328
(HD_4)
3 ASP A  82
GLY A  54
ASP A  52
None
0.38A 4xdtA-3nqwA:
undetectable
4xdtA-3nqwA:
20.64
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.
3owq LIN1025 PROTEIN

(Listeria
innocua)
PF03816
(LytR_cpsA_psr)
3 ASP A 219
GLY A 216
ASP A 210
None
0.67A 4xdtA-3owqA:
undetectable
4xdtA-3owqA:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p4g ANTIFREEZE PROTEIN

(Marinomonas
primoryensis)
no annotation 3 ASP A 139
GLY A 158
ASP A 160
MG  A 324 ( 2.9A)
CA  A 407 (-4.2A)
CA  A 406 ( 2.4A)
0.53A 4xdtA-3p4gA:
undetectable
4xdtA-3p4gA:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p4g ANTIFREEZE PROTEIN

(Marinomonas
primoryensis)
no annotation 3 ASP A 177
GLY A 198
ASP A 200
None
CA  A 409 (-4.2A)
CA  A 408 ( 2.4A)
0.56A 4xdtA-3p4gA:
undetectable
4xdtA-3p4gA:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pvs REPLICATION-ASSOCIAT
ED RECOMBINATION
PROTEIN A


(Escherichia
coli)
PF00004
(AAA)
PF12002
(MgsA_C)
PF16193
(AAA_assoc_2)
3 ASP A 189
GLY A 228
ASP A 225
None
0.58A 4xdtA-3pvsA:
undetectable
4xdtA-3pvsA:
23.14
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.
3rcm TATD FAMILY
HYDROLASE


(Pseudomonas
putida)
PF01026
(TatD_DNase)
3 ASP A 209
GLY A   7
ASP A   5
CIT  A 289 (-3.3A)
None
None
0.64A 4xdtA-3rcmA:
undetectable
4xdtA-3rcmA:
23.10
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.
3scy HYPOTHETICAL
BACTERIAL
6-PHOSPHOGLUCONOLACT
ONASE


(Bacteroides
fragilis)
PF10282
(Lactonase)
3 ASP A 171
GLY A 233
ASP A 200
None
MG  A 387 ( 4.3A)
None
0.50A 4xdtA-3scyA:
undetectable
4xdtA-3scyA:
22.82
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.
3sze SERINE PROTEASE ESPP

(Escherichia
coli)
PF02395
(Peptidase_S6)
3 ASP A 657
GLY A 637
ASP A 555
None
0.66A 4xdtA-3szeA:
undetectable
4xdtA-3szeA:
15.91
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.
3tho EXONUCLEASE,
PUTATIVE


(Thermotoga
maritima)
PF00149
(Metallophos)
3 ASP B 312
GLY B 308
ASP B 306
None
0.70A 4xdtA-3thoB:
undetectable
4xdtA-3thoB:
23.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uuf LIP1, SECRETORY
LIPASE (FAMILY 3)


(Malassezia
globosa)
PF01764
(Lipase_3)
3 ASP A  33
GLY A 262
ASP A 245
MAN  A 504 (-4.3A)
None
None
0.69A 4xdtA-3uufA:
undetectable
4xdtA-3uufA:
23.31
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.
3wbh ALKALINE PHOSPHATASE

(Halomonas sp.
#593)
PF00245
(Alk_phosphatase)
3 ASP A 276
GLY A 441
ASP A 439
None
0.47A 4xdtA-3wbhA:
undetectable
4xdtA-3wbhA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4akd MANNOSE-SPECIFIC
LECTIN KM+


(Artocarpus
integer)
PF01419
(Jacalin)
3 ASP A 139
GLY A 138
ASP A 142
None
0.70A 4xdtA-4akdA:
undetectable
4xdtA-4akdA:
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.
4amf PHOX

(Pseudomonas
fluorescens)
PF05787
(DUF839)
3 ASP A 333
GLY A 341
ASP A 330
None
0.60A 4xdtA-4amfA:
undetectable
4xdtA-4amfA:
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.
4bu0 S-M CHECKPOINT
CONTROL PROTEIN RAD4


(Schizosaccharomyces
pombe)
PF12738
(PTCB-BRCT)
3 ASP A  95
GLY A  91
ASP A  89
None
0.52A 4xdtA-4bu0A:
undetectable
4xdtA-4bu0A:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c95 DNA POLYMERASE
ALPHA-BINDING
PROTEIN


(Saccharomyces
cerevisiae)
PF12341
(Mcl1_mid)
3 ASP A 535
GLY A 533
ASP A 530
None
0.65A 4xdtA-4c95A:
undetectable
4xdtA-4c95A:
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.
4cak INTEGRIN BETA-3

(Homo sapiens)
PF00362
(Integrin_beta)
PF07965
(Integrin_B_tail)
PF07974
(EGF_2)
PF17205
(PSI_integrin)
3 ASP B  39
GLY B 405
ASP B  95
None
0.56A 4xdtA-4cakB:
undetectable
4xdtA-4cakB:
18.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cu8 GLYCOSIDE HYDROLASE
2


(Streptococcus
pneumoniae)
PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982)
3 ASP A 712
GLY A 924
ASP A 922
None
0.61A 4xdtA-4cu8A:
undetectable
4xdtA-4cu8A:
16.49
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.
4eip PUTATIVE
FAD-MONOOXYGENASE


(Lechevalieria
aerocolonigenes)
PF01494
(FAD_binding_3)
3 ASP A 318
GLY A 320
ASP A  24
None
0.69A 4xdtA-4eipA:
0.6
4xdtA-4eipA:
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.
4emi TODA

(Pseudomonas
putida)
PF07992
(Pyr_redox_2)
PF14759
(Reductase_C)
3 ASP A 254
GLY A 256
ASP A 243
None
0.66A 4xdtA-4emiA:
undetectable
4xdtA-4emiA:
25.73
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.
4fbq DNA REPAIR AND
TELOMERE MAINTENANCE
PROTEIN NBS1,DNA
REPAIR PROTEIN RAD32
CHIMERIC PROTEIN


(Schizosaccharomyces
pombe)
PF00149
(Metallophos)
PF04152
(Mre11_DNA_bind)
3 ASP A1136
GLY A1132
ASP A1065
None
None
MN  A1501 ( 3.0A)
0.61A 4xdtA-4fbqA:
undetectable
4xdtA-4fbqA:
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.
4h79 CRISPR-ASSOCIATED
PROTEIN, CSE2 FAMILY


(Thermobifida
fusca)
PF09485
(CRISPR_Cse2)
3 ASP A 170
GLY A 166
ASP A 164
None
0.64A 4xdtA-4h79A:
undetectable
4xdtA-4h79A:
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.
4hl4 TBC1 DOMAIN FAMILY
MEMBER 20


(Homo sapiens)
PF00566
(RabGAP-TBC)
3 ASP A 102
GLY A 145
ASP A 148
None
0.69A 4xdtA-4hl4A:
undetectable
4xdtA-4hl4A:
20.62
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.
4knh NUP192P

(Chaetomium
thermophilum)
PF11894
(Nup192)
3 ASP A 105
GLY A 108
ASP A 109
None
0.70A 4xdtA-4knhA:
undetectable
4xdtA-4knhA:
17.13
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.
4mn8 LRR RECEPTOR-LIKE
SERINE/THREONINE-PRO
TEIN KINASE FLS2


(Arabidopsis
thaliana)
PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13516
(LRR_6)
PF13855
(LRR_8)
3 ASP A 176
GLY A 174
ASP A 150
None
0.55A 4xdtA-4mn8A:
undetectable
4xdtA-4mn8A:
18.75
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.
4pe8 TAT-LINKED QUALITY
CONTROL PROTEIN TATD


(Escherichia
coli)
PF01026
(TatD_DNase)
3 ASP A 203
GLY A   5
ASP A   3
None
0.69A 4xdtA-4pe8A:
undetectable
4xdtA-4pe8A:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rhm ARGINASE

(Trypanosoma
brucei)
PF00491
(Arginase)
3 ASP A 237
GLY A 268
ASP A 224
None
None
MN  A 402 (-3.0A)
0.70A 4xdtA-4rhmA:
undetectable
4xdtA-4rhmA:
23.37
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.
4w65 GLYCOSYL HYDROLASE
FAMILY PROTEIN


(Mycolicibacterium
fortuitum)
PF00722
(Glyco_hydro_16)
3 ASP A 274
GLY A 107
ASP A 104
ASP  A 274 ( 0.5A)
GLY  A 107 ( 0.0A)
ASP  A 104 ( 0.6A)
0.63A 4xdtA-4w65A:
undetectable
4xdtA-4w65A:
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.
4w8l ENDO-1,4-BETA-XYLANA
SE C


(Paenibacillus
barcinonensis)
PF00331
(Glyco_hydro_10)
3 ASP A 505
GLY A 503
ASP A 502
None
None
CA  A1101 (-3.0A)
0.68A 4xdtA-4w8lA:
undetectable
4xdtA-4w8lA:
23.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wt7 ABC TRANSPORTER
SUBSTRATE BINDING
PROTEIN (RIBOSE)


(Agrobacterium
vitis)
PF13407
(Peripla_BP_4)
3 ASP A  60
GLY A  58
ASP A  86
None
0.59A 4xdtA-4wt7A:
undetectable
4xdtA-4wt7A:
23.24
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.
4xdq GLYCOSIDE HYDROLASE
FAMILY PROTEIN


(Mycolicibacterium
thermoresistibile)
PF00722
(Glyco_hydro_16)
3 ASP A 254
GLY A  79
ASP A  76
CD  A 302 ( 2.3A)
CA  A 301 (-3.8A)
None
0.62A 4xdtA-4xdqA:
undetectable
4xdtA-4xdqA:
23.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xdt FAD:PROTEIN FMN
TRANSFERASE


(Treponema
pallidum)
PF02424
(ApbE)
3 ASP A 182
GLY A 196
ASP A 234
ACT  A 406 ( 2.5A)
ACT  A 407 (-2.9A)
ACT  A 407 (-2.5A)
0.03A 4xdtA-4xdtA:
57.2
4xdtA-4xdtA:
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.
4ypj BETA GALACTOSIDASE

(Bacillus
circulans)
PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982)
3 ASP A 597
GLY A 793
ASP A 791
None
0.64A 4xdtA-4ypjA:
undetectable
4xdtA-4ypjA:
18.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z5q CYTOCHROME P450
HYDROXYLASE


(Streptomyces
atroolivaceus)
PF00067
(p450)
3 ASP A  37
GLY A 303
ASP A  57
None
0.62A 4xdtA-4z5qA:
undetectable
4xdtA-4z5qA:
22.53
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.
4zgv FERREDOXIN RECEPTOR

(Pectobacterium
atrosepticum)
PF07715
(Plug)
3 ASP A 533
GLY A 569
ASP A 191
None
0.68A 4xdtA-4zgvA:
0.0
4xdtA-4zgvA:
16.42
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.
5az4 FLAGELLAR HOOK
SUBUNIT PROTEIN


(Campylobacter
jejuni)
PF07196
(Flagellin_IN)
PF07559
(FlaE)
3 ASP A 757
GLY A 815
ASP A  99
None
0.63A 4xdtA-5az4A:
0.0
4xdtA-5az4A:
17.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bxo TANKYRASE-2

(Homo sapiens)
PF12796
(Ank_2)
3 ASP A 589
GLY A 558
ASP A 556
None
0.52A 4xdtA-5bxoA:
undetectable
4xdtA-5bxoA:
19.35
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.
5by3 BTGH115A

(Bacteroides
thetaiotaomicron)
PF15979
(Glyco_hydro_115)
3 ASP A 616
GLY A 173
ASP A 436
None
None
NI  A 802 (-3.4A)
0.58A 4xdtA-5by3A:
undetectable
4xdtA-5by3A:
18.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cwa ANTHRANILATE
SYNTHASE COMPONENT 1


(Mycobacterium
tuberculosis)
PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N)
3 ASP A 115
GLY A 450
ASP A 447
None
0.62A 4xdtA-5cwaA:
0.5
4xdtA-5cwaA:
22.10
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.
5dmy BETA-GALACTOSIDASE

(Bifidobacterium
bifidum)
PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982)
3 ASP A 595
GLY A 825
ASP A 823
None
0.69A 4xdtA-5dmyA:
undetectable
4xdtA-5dmyA:
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.
5ere EXTRACELLULAR
LIGAND-BINDING
RECEPTOR


(Desulfohalobium
retbaense)
PF13458
(Peripla_BP_6)
3 ASP A 436
GLY A 419
ASP A 416
None
0.67A 4xdtA-5ereA:
undetectable
4xdtA-5ereA:
22.51
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.
5ey7 FRUCTOKINASE

(Vibrio cholerae)
PF00294
(PfkB)
3 ASP A  30
GLY A 307
ASP A 260
None
NA  A 401 (-4.3A)
NA  A 401 (-3.5A)
0.69A 4xdtA-5ey7A:
undetectable
4xdtA-5ey7A:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gp7 TANKYRASE-1

(Homo sapiens)
PF13637
(Ank_4)
PF13857
(Ank_5)
3 ASP A 900
GLY A 869
ASP A 867
None
0.53A 4xdtA-5gp7A:
undetectable
4xdtA-5gp7A:
19.41
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.
5i7y BROMODOMAIN-CONTAINI
NG PROTEIN 9


(Homo sapiens)
PF00439
(Bromodomain)
3 ASP A  72
GLY A  68
ASP A  66
None
0.65A 4xdtA-5i7yA:
undetectable
4xdtA-5i7yA:
15.45
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.
5iva LPS-ASSEMBLY PROTEIN
LPTD


(Pseudomonas
aeruginosa)
PF04453
(OstA_C)
3 ASP A 236
GLY A 268
ASP A 269
None
0.61A 4xdtA-5ivaA:
undetectable
4xdtA-5ivaA:
18.94
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.
5jhq TANKYRASE-1

(Homo sapiens)
PF00023
(Ank)
PF12796
(Ank_2)
PF13606
(Ank_3)
3 ASP A 279
GLY A 248
ASP A 246
None
0.48A 4xdtA-5jhqA:
undetectable
4xdtA-5jhqA:
23.17
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.
5jhq TANKYRASE-1

(Homo sapiens)
PF00023
(Ank)
PF12796
(Ank_2)
PF13606
(Ank_3)
3 ASP A 432
GLY A 401
ASP A 399
None
0.59A 4xdtA-5jhqA:
undetectable
4xdtA-5jhqA:
23.17
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.
5k1h EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT B


(Homo sapiens)
PF00076
(RRM_1)
PF08662
(eIF2A)
3 ASP B 600
GLY B 216
ASP B 217
None
0.65A 4xdtA-5k1hB:
undetectable
4xdtA-5k1hB:
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.
5kqi CATALASE-PEROXIDASE

(Burkholderia
pseudomallei)
PF00141
(peroxidase)
3 ASP A 689
GLY A 672
ASP A 670
None
0.69A 4xdtA-5kqiA:
undetectable
4xdtA-5kqiA:
19.81
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.
5m1b 3-OCTAPRENYL-4-HYDRO
XYBENZOATE
CARBOXY-LYASE


(Escherichia
coli)
PF01977
(UbiD)
3 ASP A 290
GLY A 323
ASP A 327
None
0.67A 4xdtA-5m1bA:
undetectable
4xdtA-5m1bA:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n57 SUPEROXIDE DISMUTASE

(Staphylococcus
aureus)
no annotation 3 ASP A 100
GLY A  96
ASP A 192
None
0.59A 4xdtA-5n57A:
undetectable
4xdtA-5n57A:
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.
5tcv 1-AMINOCYCLOPROPANE-
1-CARBOXYLATE
OXIDASE 1


(Petunia x
hybrida)
PF03171
(2OG-FeII_Oxy)
PF14226
(DIOX_N)
3 ASP A 241
GLY A 242
ASP A 190
None
0.68A 4xdtA-5tcvA:
undetectable
4xdtA-5tcvA:
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.
5tnv AP ENDONUCLEASE,
FAMILY PROTEIN 2


(Mycolicibacterium
smegmatis)
PF01261
(AP_endonuc_2)
3 ASP A  28
GLY A  24
ASP A  22
None
0.64A 4xdtA-5tnvA:
undetectable
4xdtA-5tnvA:
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.
5twx BROMODOMAIN-CONTAINI
NG PROTEIN 9


(Homo sapiens)
PF00439
(Bromodomain)
3 ASP A 188
GLY A 184
ASP A 182
None
0.68A 4xdtA-5twxA:
undetectable
4xdtA-5twxA:
16.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xnu PUTATIVE INTEGRAL
MEMBRANE PROTEIN


(Escherichia
coli)
no annotation 3 ASP A 329
GLY A 332
ASP A 335
None
0.54A 4xdtA-5xnuA:
undetectable
4xdtA-5xnuA:
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.
6by9 HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1


(Homo sapiens)
no annotation 3 ASP A 903
GLY A 872
ASP A 870
None
0.47A 4xdtA-6by9A:
undetectable
4xdtA-6by9A:
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.
6byx SHORT ULVAN LYASE

(Alteromonas sp.
LOR)
no annotation 3 ASP A 448
GLY A 467
ASP A 398
None
0.68A 4xdtA-6byxA:
undetectable
4xdtA-6byxA:
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.
6cf6 TANKYRASE-1

(Mus musculus)
no annotation 3 ASP A 425
GLY A 394
ASP A 392
None
0.57A 4xdtA-6cf6A:
undetectable
4xdtA-6cf6A:
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.
6es9 ACYL-COA
DEHYDROGENASE


(Paracoccus
denitrificans)
no annotation 3 ASP A 340
GLY A 297
ASP A 295
None
0.68A 4xdtA-6es9A:
undetectable
4xdtA-6es9A:
undetectable