SIMILAR PATTERNS OF AMINO ACIDS FOR 1DED_A_QPSA2001_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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1cyg CYCLODEXTRIN
GLUCANOTRANSFERASE


(Geobacillus
stearothermophilus)
PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C)
5 TRP A 609
LYS A 644
TRP A 656
GLY A 659
ASN A 661
None
0.98A 1dedA-1cygA:
60.4
1dedA-1cygA:
63.43
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.
1i71 APOLIPOPROTEIN(A)

(Homo sapiens)
PF00051
(Kringle)
4 TRP A  25
GLY A  43
ASN A  52
PRO A  41
None
1.27A 1dedA-1i71A:
undetectable
1dedA-1i71A:
9.12
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.
1jfr LIPASE

(Streptomyces
exfoliatus)
PF03403
(PAF-AH_p_II)
4 TRP A 162
GLY A 133
ASN A 157
PRO A  61
None
1.48A 1dedA-1jfrA:
undetectable
1dedA-1jfrA:
18.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE


(Bacillus
circulans)
PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C)
4 TRP A 616
LYS A 651
GLY A 665
ASN A 667
GLC  A1699 (-3.8A)
GLC  A1698 (-2.5A)
None
GLC  A1699 (-2.8A)
1.01A 1dedA-1kclA:
64.3
1dedA-1kclA:
88.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE


(Bacillus
circulans)
PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C)
6 TRP A 616
LYS A 651
TRP A 662
GLY A 664
ASN A 667
PRO A 686
GLC  A1699 (-3.8A)
GLC  A1698 (-2.5A)
GLC  A1698 ( 3.8A)
GLC  A1698 ( 4.8A)
GLC  A1699 (-2.8A)
None
0.45A 1dedA-1kclA:
64.3
1dedA-1kclA:
88.63
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.
1odu PUTATIVE
ALPHA-L-FUCOSIDASE


(Thermotoga
maritima)
PF01120
(Alpha_L_fucos)
4 TRP A 227
GLY A 256
ASN A 252
PRO A 258
None
1.39A 1dedA-1oduA:
11.5
1dedA-1oduA:
20.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qho ALPHA-AMYLASE

(Geobacillus
stearothermophilus)
PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C)
4 TRP A 612
LYS A 650
GLY A 665
ASN A 667
MAL  A1201 (-3.8A)
MAL  A1201 (-2.7A)
None
MAL  A1201 (-3.0A)
1.04A 1dedA-1qhoA:
56.0
1dedA-1qhoA:
45.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qho ALPHA-AMYLASE

(Geobacillus
stearothermophilus)
PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C)
4 TRP A 612
LYS A 650
TRP A 662
ASN A 667
MAL  A1201 (-3.8A)
MAL  A1201 (-2.7A)
MAL  A1201 (-3.7A)
MAL  A1201 (-3.0A)
0.29A 1dedA-1qhoA:
56.0
1dedA-1qhoA:
45.06
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.
1tyd TYROSYL-TRNA
SYNTHETASE


(Geobacillus
stearothermophilus)
PF00579
(tRNA-synt_1b)
4 TRP E  97
GLY E  77
ASN E  89
PRO E  79
None
1.21A 1dedA-1tydE:
undetectable
1dedA-1tydE:
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.
1uv4 ARABINAN-ENDO
1,5-ALPHA-L-ARABINAS
E


(Bacillus
subtilis)
PF04616
(Glyco_hydro_43)
4 TRP A 152
GLY A 181
ASN A 210
PRO A 178
None
1.01A 1dedA-1uv4A:
undetectable
1dedA-1uv4A:
20.06
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.
1uv4 ARABINAN-ENDO
1,5-ALPHA-L-ARABINAS
E


(Bacillus
subtilis)
PF04616
(Glyco_hydro_43)
4 TRP A 152
GLY A 182
ASN A 210
PRO A 178
None
1.40A 1dedA-1uv4A:
undetectable
1dedA-1uv4A:
20.06
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.
1vbm TYROSYL-TRNA
SYNTHETASE


(Escherichia
coli)
PF00579
(tRNA-synt_1b)
4 TRP A 100
GLY A  80
ASN A  92
PRO A  82
None
1.19A 1dedA-1vbmA:
undetectable
1dedA-1vbmA:
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.
1z0n 5'-AMP-ACTIVATED
PROTEIN KINASE,
BETA-1 SUBUNIT


(Rattus
norvegicus)
PF16561
(AMPK1_CBM)
4 TRP A 100
LYS A 126
TRP A 133
ASN A 150
BCD  A1200 (-3.8A)
BCD  A1200 (-2.7A)
BCD  A1200 ( 3.9A)
BCD  A1200 (-3.0A)
0.40A 1dedA-1z0nA:
8.5
1dedA-1z0nA:
9.98
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.
2f15 5'-AMP-ACTIVATED
PROTEIN KINASE,
BETA-2 SUBUNIT


(Homo sapiens)
PF16561
(AMPK1_CBM)
4 TRP A  99
LYS A 126
TRP A 133
ASN A 150
None
0.67A 1dedA-2f15A:
8.2
1dedA-2f15A:
9.40
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.
2f4p HYPOTHETICAL PROTEIN
TM1010


(Thermotoga
maritima)
PF07883
(Cupin_2)
4 TRP A  22
GLY A  46
ASN A  20
PRO A  99
None
1.19A 1dedA-2f4pA:
2.1
1dedA-2f4pA:
13.00
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.
2frv PERIPLASMIC
HYDROGENASE


(Desulfovibrio
gigas)
no annotation 4 TRP L  36
GLY L 508
ASN L  34
PRO L 510
None
1.34A 1dedA-2frvL:
undetectable
1dedA-2frvL:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gpc IRON SUPEROXIDE
DISMUTASE


(Trypanosoma
cruzi)
PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C)
4 TRP A 162
GLY A 145
ASN A  67
PRO A 147
None
1.26A 1dedA-2gpcA:
undetectable
1dedA-2gpcA:
13.70
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.
2gwn DIHYDROOROTASE

(Porphyromonas
gingivalis)
PF01979
(Amidohydro_1)
4 LYS A 322
GLY A 332
ASN A 281
PRO A 316
None
1.15A 1dedA-2gwnA:
3.3
1dedA-2gwnA:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gy7 ANGIOPOIETIN-2

(Homo sapiens)
PF00147
(Fibrinogen_C)
4 TRP A 354
TRP A 446
ASN A 456
PRO A 452
None
1.12A 1dedA-2gy7A:
undetectable
1dedA-2gy7A:
14.58
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.
2ts1 TYROSYL-TRNA
SYNTHETASE


(Geobacillus
stearothermophilus)
PF00579
(tRNA-synt_1b)
4 TRP A  97
GLY A  77
ASN A  89
PRO A  79
None
1.24A 1dedA-2ts1A:
undetectable
1dedA-2ts1A:
20.20
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.
2vc2 INTEGRIN ALPHA-IIB

(Homo sapiens)
PF01839
(FG-GAP)
PF13517
(VCBS)
4 TRP A 262
GLY A 233
ASN A 227
PRO A 258
None
1.44A 1dedA-2vc2A:
undetectable
1dedA-2vc2A:
20.90
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.
2vn7 GLUCOAMYLASE

(Trichoderma
reesei)
PF00686
(CBM_20)
PF00723
(Glyco_hydro_15)
4 TRP A 525
LYS A 560
TRP A 572
ASN A 577
None
0.39A 1dedA-2vn7A:
11.7
1dedA-2vn7A:
22.97
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.
2wan PULLULANASE

(Bacillus
acidopullulyticus)
PF00128
(Alpha-amylase)
PF02922
(CBM_48)
4 TRP A 182
LYS A 213
GLY A 226
ASN A 228
None
1.21A 1dedA-2wanA:
28.0
1dedA-2wanA:
23.09
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.
2wan PULLULANASE

(Bacillus
acidopullulyticus)
PF00128
(Alpha-amylase)
PF02922
(CBM_48)
4 TRP A 182
LYS A 213
TRP A 220
ASN A 228
None
1.23A 1dedA-2wanA:
28.0
1dedA-2wanA:
23.09
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.
2wmh FUCOLECTIN-RELATED
PROTEIN


(Streptococcus
pneumoniae)
PF08306
(Glyco_hydro_98M)
PF08307
(Glyco_hydro_98C)
4 TRP A  62
GLY A  54
ASN A  57
PRO A  88
None
0.78A 1dedA-2wmhA:
9.3
1dedA-2wmhA:
22.87
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.
2yx0 RADICAL SAM ENZYME

(Pyrococcus
horikoshii)
PF04055
(Radical_SAM)
PF08608
(Wyosine_form)
4 TRP A 222
GLY A 221
ASN A 214
PRO A 219
None
1.23A 1dedA-2yx0A:
undetectable
1dedA-2yx0A:
17.39
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.
2zzr UNSATURATED
GLUCURONYL HYDROLASE


(Streptococcus
agalactiae)
PF07470
(Glyco_hydro_88)
4 TRP A 251
GLY A 255
ASN A 179
PRO A 257
None
1.40A 1dedA-2zzrA:
undetectable
1dedA-2zzrA:
20.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE


(Thermoanaerobacterium
thermosulfurigenes)
PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
4 TRP A 613
LYS A 648
GLY A 662
ASN A 664
None
1.06A 1dedA-3bmwA:
61.0
1dedA-3bmwA:
68.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE


(Thermoanaerobacterium
thermosulfurigenes)
PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
5 TRP A 613
LYS A 648
TRP A 659
GLY A 661
ASN A 664
None
0.46A 1dedA-3bmwA:
61.0
1dedA-3bmwA:
68.56
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.
3esf IRON-CONTAINING
SUPEROXIDE DISMUTASE
B2


(Trypanosoma
brucei)
PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C)
4 TRP A 163
GLY A 146
ASN A  68
PRO A 148
None
1.24A 1dedA-3esfA:
undetectable
1dedA-3esfA:
13.61
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.
3h1s SUPEROXIDE DISMUTASE

(Francisella
tularensis)
PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C)
4 TRP A 158
GLY A 142
ASN A  66
PRO A 144
None
1.23A 1dedA-3h1sA:
undetectable
1dedA-3h1sA:
14.35
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.
3hjh TRANSCRIPTION-REPAIR
-COUPLING FACTOR


(Escherichia
coli)
no annotation 4 TRP A 321
TRP A  73
GLY A 256
PRO A 254
None
1.36A 1dedA-3hjhA:
undetectable
1dedA-3hjhA:
21.06
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.
3led 3-OXOACYL-ACYL
CARRIER PROTEIN
SYNTHASE III


(Rhodopseudomonas
palustris)
PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III)
4 LYS A 255
GLY A 249
ASN A 238
PRO A 247
None
1.23A 1dedA-3ledA:
undetectable
1dedA-3ledA:
19.77
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.
3nap CAPSID PROTEIN

(Triatoma virus)
PF00073
(Rhv)
PF08762
(CRPV_capsid)
4 LYS A 120
GLY C  29
ASN A  57
PRO C  31
None
1.35A 1dedA-3napA:
undetectable
1dedA-3napA:
17.99
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.
3nt8 ANCYLOSTOMA SECRETED
PROTEIN 1


(Necator
americanus)
PF00188
(CAP)
4 TRP A 127
GLY A 125
ASN A 102
PRO A 121
None
1.30A 1dedA-3nt8A:
undetectable
1dedA-3nt8A:
21.07
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.
3ros NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE


(Lactobacillus
acidophilus)
PF00171
(Aldedh)
4 TRP A 418
GLY A 260
ASN A 132
PRO A 364
None
1.16A 1dedA-3rosA:
undetectable
1dedA-3rosA:
20.73
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.
3whe HEMAGGLUTININ
IMMUNOGLOBULIN HEAVY
CHAIN


(Homo sapiens;
Influenza A
virus)
PF00509
(Hemagglutinin)
no annotation
4 TRP M  50
GLY M 104
ASN M  52
PRO A 284
None
NAG  A 601 (-3.6A)
None
None
1.38A 1dedA-3wheM:
3.5
1dedA-3wheM:
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.
3zxl HIAXHD3

(Humicola
insolens)
PF04616
(Glyco_hydro_43)
4 TRP A 134
GLY A  65
ASN A 362
PRO A  67
None
1.11A 1dedA-3zxlA:
undetectable
1dedA-3zxlA:
23.56
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata)
PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s)
4 TRP A 352
GLY A 345
ASN A 180
PRO A 347
None
1.36A 1dedA-4bedA:
undetectable
1dedA-4bedA:
17.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bvw APOLIPOPROTEIN(A)

(Homo sapiens)
PF00051
(Kringle)
4 TRP A  25
GLY A  43
ASN A  52
PRO A  41
None
1.29A 1dedA-4bvwA:
undetectable
1dedA-4bvwA:
9.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4cgt CYCLODEXTRIN
GLYCOSYLTRANSFERASE


(Bacillus
circulans)
PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C)
4 TRP A 614
LYS A 650
GLY A 664
ASN A 666
None
1.11A 1dedA-4cgtA:
60.1
1dedA-4cgtA:
72.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4cgt CYCLODEXTRIN
GLYCOSYLTRANSFERASE


(Bacillus
circulans)
PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C)
4 TRP A 614
LYS A 650
TRP A 661
ASN A 666
None
0.47A 1dedA-4cgtA:
60.1
1dedA-4cgtA:
72.16
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.
4dvh SUPEROXIDE DISMUTASE

(Trypanosoma
cruzi)
PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C)
4 TRP A 165
GLY A 149
ASN A  71
PRO A 151
None
1.15A 1dedA-4dvhA:
undetectable
1dedA-4dvhA:
15.82
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.
4epu ANGIOPOIETIN-1

(Homo sapiens)
PF00147
(Fibrinogen_C)
4 TRP A 356
TRP A 448
ASN A 458
PRO A 454
None
1.21A 1dedA-4epuA:
undetectable
1dedA-4epuA:
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.
4f2n SUPEROXIDE DISMUTASE

(Leishmania
major)
PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C)
4 TRP A 193
GLY A 177
ASN A 100
PRO A 179
None
1.21A 1dedA-4f2nA:
undetectable
1dedA-4f2nA:
14.49
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.
4f3e CASA

(Thermus
thermophilus)
PF09481
(CRISPR_Cse1)
4 TRP A  77
GLY A  81
ASN A 194
PRO A  83
None
1.26A 1dedA-4f3eA:
undetectable
1dedA-4f3eA:
20.32
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.
4h3e SUPEROXIDE DISMUTASE

(Trypanosoma
cruzi)
PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C)
4 TRP A 196
GLY A 180
ASN A 102
PRO A 182
None
1.21A 1dedA-4h3eA:
undetectable
1dedA-4h3eA:
15.48
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.
4iug BETA-GALACTOSIDASE A

(Aspergillus
oryzae)
PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5)
4 TRP A 307
GLY A 308
ASN A 936
PRO A 310
None
NAG  A1149 (-3.4A)
None
MAN  A1153 (-3.7A)
1.20A 1dedA-4iugA:
9.8
1dedA-4iugA:
22.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE


(Paenibacillus
macerans)
PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
4 TRP A 617
LYS A 652
GLY A 666
ASN A 668
None
0.99A 1dedA-4jclA:
61.3
1dedA-4jclA:
67.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE


(Paenibacillus
macerans)
PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
5 TRP A 617
LYS A 652
TRP A 663
GLY A 665
ASN A 668
None
0.64A 1dedA-4jclA:
61.3
1dedA-4jclA:
67.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE


([Bacillus]
clarkii)
PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
4 TRP A 603
LYS A 638
GLY A 653
ASN A 655
GOL  A 738 ( 3.9A)
GOL  A 738 (-3.6A)
None
GOL  A 738 (-3.2A)
1.01A 1dedA-4jcmA:
58.7
1dedA-4jcmA:
54.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE


([Bacillus]
clarkii)
PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
4 TRP A 603
LYS A 638
TRP A 650
ASN A 655
GOL  A 738 ( 3.9A)
GOL  A 738 (-3.6A)
GOL  A 738 ( 4.6A)
GOL  A 738 (-3.2A)
0.32A 1dedA-4jcmA:
58.7
1dedA-4jcmA:
54.49
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.
4oht SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE


(Streptococcus
pyogenes)
PF00171
(Aldedh)
4 TRP A 418
GLY A 260
ASN A 132
PRO A 364
None
1.19A 1dedA-4ohtA:
undetectable
1dedA-4ohtA:
20.32
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.
4pyh PHOSPHOGLUCAN
PHOSPHATASE DSP4,
CHLOROPLASTIC


(Arabidopsis
thaliana)
PF00782
(DSPc)
PF16561
(AMPK1_CBM)
4 TRP A 278
LYS A 307
TRP A 314
ASN A 332
GLC  A 405 ( 3.7A)
GLC  A 406 (-2.9A)
GLC  A 406 (-4.0A)
GLC  A 405 (-2.9A)
0.41A 1dedA-4pyhA:
7.3
1dedA-4pyhA:
17.66
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.
4rkk LAFORIN

(Homo sapiens)
PF00686
(CBM_20)
PF00782
(DSPc)
4 TRP A  32
LYS A  87
TRP A  99
GLY A 101
GLC  A 417 ( 3.7A)
GLC  A 414 (-2.7A)
GLC  A 414 (-3.9A)
None
0.48A 1dedA-4rkkA:
7.7
1dedA-4rkkA:
18.66
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.
4wzf 1,3-BETA-GLUCANASE

(Mycobacterium
tuberculosis)
PF00722
(Glyco_hydro_16)
4 TRP A 134
TRP A 142
GLY A 139
PRO A 218
None
1.38A 1dedA-4wzfA:
undetectable
1dedA-4wzfA:
17.29
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.
4xdq GLYCOSIDE HYDROLASE
FAMILY PROTEIN


(Mycolicibacterium
thermoresistibile)
PF00722
(Glyco_hydro_16)
4 TRP A 106
TRP A 114
GLY A 111
PRO A 190
None
1.35A 1dedA-4xdqA:
undetectable
1dedA-4xdqA:
15.24
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.
4xz6 GLYCINE
BETAINE/PROLINE ABC
TRANSPORTER,
PERIPLASMIC
SUBSTRATE-BINDING
PROTEIN


(Ruegeria
pomeroyi)
PF04069
(OpuAC)
4 TRP A 204
TRP A 231
GLY A 233
ASN A 221
None
1.23A 1dedA-4xz6A:
undetectable
1dedA-4xz6A:
17.18
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.
4y0g 5'-AMP-ACTIVATED
PROTEIN KINASE
SUBUNIT BETA-2


(Rattus
norvegicus)
PF16561
(AMPK1_CBM)
4 TRP A  99
LYS A 126
TRP A 133
ASN A 150
None
0.67A 1dedA-4y0gA:
4.6
1dedA-4y0gA:
9.06
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.
4yef 5'-AMP-ACTIVATED
PROTEIN KINASE
SUBUNIT BETA-1


(Rattus
norvegicus)
PF16561
(AMPK1_CBM)
4 TRP A 100
LYS A 126
TRP A 133
ASN A 150
4CQ  A 201 (-3.8A)
4CQ  A 201 (-2.8A)
4CQ  A 201 (-4.0A)
4CQ  A 201 (-2.9A)
0.34A 1dedA-4yefA:
6.8
1dedA-4yefA:
8.91
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.
4yet SUPEROXIDE DISMUTASE

(Babesia bovis)
PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C)
4 TRP A 160
GLY A 143
ASN A  66
PRO A 145
None
1.23A 1dedA-4yetA:
undetectable
1dedA-4yetA:
14.35
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.
4zxw C-DOMAIN TYPE II
PEPTIDE SYNTHETASE


(Streptomyces
globisporus)
PF00668
(Condensation)
4 LYS A 237
GLY A  37
ASN A 426
PRO A  41
None
1.29A 1dedA-4zxwA:
undetectable
1dedA-4zxwA:
21.53
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.
5ihr PROBABLE
BETA-GALACTOSIDASE A


(Aspergillus
niger)
PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5)
4 TRP A 307
GLY A 308
ASN A 938
PRO A 310
None
MAN  A1917 (-3.3A)
None
None
1.24A 1dedA-5ihrA:
11.0
1dedA-5ihrA:
21.57
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.
5k0y EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT I


(Oryctolagus
cuniculus)
PF00400
(WD40)
4 TRP T  56
GLY T  53
ASN T  74
PRO T  32
None
1.48A 1dedA-5k0yT:
undetectable
1dedA-5k0yT:
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.
5kq5 5'-AMP-ACTIVATED
PROTEIN KINASE
SUBUNIT BETA-1


(Rattus
norvegicus)
PF04739
(AMPKBI)
PF16561
(AMPK1_CBM)
4 TRP B 100
LYS B 126
TRP B 133
ASN B 150
None
0.69A 1dedA-5kq5B:
6.7
1dedA-5kq5B:
13.59
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.
5ncl SERINE/THREONINE-PRO
TEIN KINASE CBK1


(Saccharomyces
cerevisiae)
no annotation 4 LYS A 477
GLY A 573
ASN A 480
PRO A 575
ANP  A 801 (-2.7A)
None
ANP  A 801 (-3.8A)
None
1.42A 1dedA-5nclA:
undetectable
1dedA-5nclA:
8.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t79 ALDO-KETO REDUCTASE,
OXIDOREDUCTASE


(Salmonella
enterica)
PF00248
(Aldo_ket_red)
4 TRP A  33
GLY A  67
ASN A  35
PRO A  69
NDP  A 404 (-3.4A)
None
NDP  A 404 ( 4.6A)
None
1.33A 1dedA-5t79A:
8.6
1dedA-5t79A:
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.
6eq8 PERIPLASMIC
ALPHA-GALACTOSIDE-BI
NDING PROTEIN


(Agrobacterium
tumefaciens)
no annotation 4 LYS D 259
GLY D 105
ASN D 256
PRO D 190
None
1.47A 1dedA-6eq8D:
undetectable
1dedA-6eq8D:
7.98
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.
6fhv GLUCOAMYLASE

(Penicillium
oxalicum)
no annotation 4 TRP A 542
LYS A 578
GLY A 593
ASN A 595
PEG  A 654 (-3.6A)
None
None
PEG  A 654 ( 4.4A)
1.04A 1dedA-6fhvA:
10.8
1dedA-6fhvA:
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.
6fhv GLUCOAMYLASE

(Penicillium
oxalicum)
no annotation 4 TRP A 542
LYS A 578
TRP A 590
ASN A 595
PEG  A 654 (-3.6A)
None
PEG  A 654 ( 4.2A)
PEG  A 654 ( 4.4A)
0.44A 1dedA-6fhvA:
10.8
1dedA-6fhvA:
7.45