SIMILAR PATTERNS OF AMINO ACIDS FOR 5IMS_A_ACTA708_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.
1ct5 PROTEIN (YEAST
HYPOTHETICAL
PROTEIN, SELENOMET)


(Saccharomyces
cerevisiae)
PF01168
(Ala_racemase_N)
3 GLY A  93
GLY A  92
GLN A 142
None
0.26A 5imsA-1ct5A:
2.3
5imsA-1ct5A:
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.
1cyq INTRON-ENCODED
HOMING ENDONUCLEASE
I-PPOI


(Physarum
polycephalum)
no annotation 3 GLY A  34
GLY A  33
GLN A 141
None
0.38A 5imsA-1cyqA:
undetectable
5imsA-1cyqA:
13.20
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.
1eh5 PALMITOYL PROTEIN
THIOESTERASE 1


(Bos taurus)
PF02089
(Palm_thioest)
3 GLY A 117
GLY A 118
GLN A 142
None
None
PLM  A 430 (-3.8A)
0.46A 5imsA-1eh5A:
2.7
5imsA-1eh5A:
19.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ffv CUTS, IRON-SULFUR
PROTEIN OF CARBON
MONOXIDE
DEHYDROGENASE
CUTM, FLAVOPROTEIN
OF CARBON MONOXIDE
DEHYDROGENASE


(Hydrogenophaga
pseudoflava;
Hydrogenophaga
pseudoflava)
PF00111
(Fer2)
PF01799
(Fer2_2)
PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C)
3 GLY C  34
GLY C  33
GLN A  68
FAD  C1922 (-3.2A)
FAD  C1922 (-3.3A)
None
0.50A 5imsA-1ffvC:
undetectable
5imsA-1ffvC:
18.63
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.
1gzv GLUCOSE-6-PHOSPHATE
ISOMERASE


(Sus scrofa)
PF00342
(PGI)
3 GLY A 270
GLY A 271
GLN A 511
None
PA5  A 600 ( 4.3A)
PA5  A 600 ( 4.2A)
0.40A 5imsA-1gzvA:
4.8
5imsA-1gzvA:
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.
1idj PECTIN LYASE A

(Aspergillus
niger)
PF00544
(Pec_lyase_C)
3 GLY A 153
GLY A 152
GLN A  78
None
0.44A 5imsA-1idjA:
undetectable
5imsA-1idjA:
19.44
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.
1jqb NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE


(Clostridium
beijerinckii)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
3 GLY A1244
GLY A1245
GLN A1251
None
0.33A 5imsA-1jqbA:
2.4
5imsA-1jqbA:
22.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jsc ACETOHYDROXY-ACID
SYNTHASE


(Saccharomyces
cerevisiae)
PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
3 GLY A 115
GLY A 116
GLN A 202
2HP  A 698 (-3.6A)
2HP  A 698 (-3.5A)
2HP  A 698 ( 3.2A)
0.12A 5imsA-1jscA:
61.4
5imsA-1jscA:
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.
1kpl PUTATIVE CLC FAMILY,
CHLORINE TRANSPORT
PROTEIN


(Salmonella
enterica)
PF00654
(Voltage_CLC)
3 GLY A 315
GLY A 314
GLN A  61
None
0.45A 5imsA-1kplA:
undetectable
5imsA-1kplA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kr1 HEVAMINE A

(Hevea
brasiliensis)
PF00704
(Glyco_hydro_18)
3 GLY A 107
GLY A 106
GLN A 147
None
0.46A 5imsA-1kr1A:
undetectable
5imsA-1kr1A:
17.05
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.
1lrw METHANOL
DEHYDROGENASE
SUBUNIT 1
METHANOL
DEHYDROGENASE
SUBUNIT 2


(Paracoccus
denitrificans;
Paracoccus
denitrificans)
PF01011
(PQQ)
PF13360
(PQQ_2)
PF02315
(MDH)
3 GLY A 239
GLY A 238
GLN B  40
None
0.48A 5imsA-1lrwA:
undetectable
5imsA-1lrwA:
21.56
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.
1on9 METHYLMALONYL-COA
CARBOXYLTRANSFERASE
12S SUBUNIT


(Propionibacterium
freudenreichii)
PF01039
(Carboxyl_trans)
3 GLY A 142
GLY A 141
GLN A 103
MCA  A4001 ( 4.1A)
MCA  A4001 (-3.4A)
None
0.47A 5imsA-1on9A:
2.1
5imsA-1on9A:
22.45
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.
1pox PYRUVATE OXIDASE

(Lactobacillus
plantarum)
PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
3 GLY A  34
GLY A  35
GLN A 122
None
0.33A 5imsA-1poxA:
37.2
5imsA-1poxA:
25.77
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.
1t4b ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE


(Escherichia
coli)
PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC)
3 GLY A 168
GLY A 167
GLN A 350
None
0.41A 5imsA-1t4bA:
4.3
5imsA-1t4bA:
20.81
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.
1u2l PEROXIDASE/CATALASE
HPI


(Escherichia
coli)
PF00141
(peroxidase)
3 GLY A 481
GLY A 480
GLN A 600
None
0.43A 5imsA-1u2lA:
undetectable
5imsA-1u2lA:
19.02
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.
1vrg PROPIONYL-COA
CARBOXYLASE, BETA
SUBUNIT


(Thermotoga
maritima)
PF01039
(Carboxyl_trans)
3 GLY A 132
GLY A 131
GLN A  93
None
0.48A 5imsA-1vrgA:
2.2
5imsA-1vrgA:
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.
1vrq SARCOSINE OXIDASE
ALPHA SUBUNIT


(Corynebacterium
sp. U-96)
PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF12831
(FAD_oxidored)
PF13510
(Fer2_4)
3 GLY A 164
GLY A 163
GLN A 200
NAD  A1002 (-3.6A)
None
None
0.47A 5imsA-1vrqA:
undetectable
5imsA-1vrqA:
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.
1w6s METHANOL
DEHYDROGENASE
SUBUNIT 1
METHANOL
DEHYDROGENASE
SUBUNIT 2


(Methylobacterium
extorquens;
Methylobacterium
extorquens)
PF01011
(PQQ)
PF13360
(PQQ_2)
PF02315
(MDH)
3 GLY A 239
GLY A 238
GLN B1040
None
0.39A 5imsA-1w6sA:
undetectable
5imsA-1w6sA:
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.
1w8s FRUCTOSE-BISPHOSPHAT
E ALDOLASE CLASS I


(Thermoproteus
tenax)
PF01791
(DeoC)
3 GLY A 204
GLY A 203
GLN A 216
FBP  A 270 (-3.2A)
FBP  A 270 (-3.2A)
None
0.47A 5imsA-1w8sA:
undetectable
5imsA-1w8sA:
17.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT


(Sulfurisphaera
tokodaii)
PF01039
(Carboxyl_trans)
3 GLY A 138
GLY A 137
GLN A  99
None
0.44A 5imsA-1x0uA:
2.4
5imsA-1x0uA:
23.44
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.
1zzg GLUCOSE-6-PHOSPHATE
ISOMERASE


(Thermus
thermophilus)
PF00342
(PGI)
3 GLY A 185
GLY A 186
GLN A 399
None
0.26A 5imsA-1zzgA:
3.3
5imsA-1zzgA:
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.
2cxn GLUCOSE-6-PHOSPHATE
ISOMERASE


(Mus musculus)
PF00342
(PGI)
3 GLY A 271
GLY A 272
GLN A 512
None
0.39A 5imsA-2cxnA:
4.7
5imsA-2cxnA:
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.
2gah HETEROTETRAMERIC
SARCOSINE OXIDASE
ALPHA-SUBUNIT


(Stenotrophomonas
maltophilia)
PF01571
(GCV_T)
PF07992
(Pyr_redox_2)
PF08669
(GCV_T_C)
PF13510
(Fer2_4)
3 GLY A 165
GLY A 164
GLN A 201
NAD  A 999 (-3.3A)
None
None
0.44A 5imsA-2gahA:
undetectable
5imsA-2gahA:
23.06
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.
2hc8 CATION-TRANSPORTING
ATPASE, P-TYPE


(Archaeoglobus
fulgidus)
PF00122
(E1-E2_ATPase)
3 GLY A 310
GLY A 309
GLN A 223
None
0.35A 5imsA-2hc8A:
undetectable
5imsA-2hc8A:
11.28
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.
2ilu ALDEHYDE
DEHYDROGENASE A


(Escherichia
coli)
PF00171
(Aldedh)
3 GLY A  94
GLY A  95
GLN A 283
None
0.41A 5imsA-2iluA:
2.8
5imsA-2iluA:
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.
2j04 YDR362CP

(Saccharomyces
cerevisiae)
no annotation 3 GLY B 653
GLY B 654
GLN B 204
None
0.49A 5imsA-2j04B:
undetectable
5imsA-2j04B:
21.42
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.
2j3h NADP-DEPENDENT
OXIDOREDUCTASE P1


(Arabidopsis
thaliana)
PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2)
3 GLY A 234
GLY A 235
GLN A 265
None
0.49A 5imsA-2j3hA:
2.5
5imsA-2j3hA:
20.09
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.
2kq6 POLYCYSTIN-2

(Homo sapiens)
no annotation 3 GLY A  15
GLY A  14
GLN A  57
None
0.46A 5imsA-2kq6A:
undetectable
5imsA-2kq6A:
6.53
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.
2lv3 THIOREDOXIN
REDUCTASE 3


(Mus musculus)
PF00462
(Glutaredoxin)
3 GLY A 103
GLY A 104
GLN A  89
None
0.50A 5imsA-2lv3A:
undetectable
5imsA-2lv3A:
11.34
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.
2nvo RO SIXTY-RELATED
PROTEIN, RSR


(Deinococcus
radiodurans)
PF05731
(TROVE)
3 GLY A 436
GLY A 437
GLN A 442
None
0.21A 5imsA-2nvoA:
4.5
5imsA-2nvoA:
23.98
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.
2o2c GLUCOSE-6-PHOSPHATE
ISOMERASE,
GLYCOSOMAL


(Trypanosoma
brucei)
PF00342
(PGI)
3 GLY A 324
GLY A 325
GLN A 564
G6Q  A5001 ( 4.8A)
G6Q  A5001 (-3.5A)
G6Q  A5001 (-3.7A)
0.37A 5imsA-2o2cA:
4.5
5imsA-2o2cA:
22.85
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.
2o2t MULTIPLE PDZ DOMAIN
PROTEIN


(Homo sapiens)
PF00595
(PDZ)
3 GLY A 146
GLY A 147
GLN A 171
None
0.45A 5imsA-2o2tA:
undetectable
5imsA-2o2tA:
10.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2opv KHSRP PROTEIN

(Homo sapiens)
PF00013
(KH_1)
3 GLY A  37
GLY A  36
GLN A  55
None
0.47A 5imsA-2opvA:
undetectable
5imsA-2opvA:
8.97
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.
2q8n GLUCOSE-6-PHOSPHATE
ISOMERASE


(Thermotoga
maritima)
PF00342
(PGI)
3 GLY A 196
GLY A 197
GLN A 415
None
0.31A 5imsA-2q8nA:
2.4
5imsA-2q8nA:
23.53
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.
2r9h H(+)/CL(-) EXCHANGE
TRANSPORTER CLCA


(Escherichia
coli)
PF00654
(Voltage_CLC)
3 GLY A 315
GLY A 314
GLN A  61
None
0.47A 5imsA-2r9hA:
undetectable
5imsA-2r9hA:
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.
2wu8 GLUCOSE-6-PHOSPHATE
ISOMERASE


(Mycobacterium
tuberculosis)
PF00342
(PGI)
3 GLY A 270
GLY A 271
GLN A 507
None
0.44A 5imsA-2wu8A:
2.7
5imsA-2wu8A:
22.06
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.
3a5x FLAGELLIN

(Salmonella
enterica)
PF00669
(Flagellin_N)
PF00700
(Flagellin_C)
PF08884
(Flagellin_D3)
3 GLY A 237
GLY A 238
GLN A 214
None
0.46A 5imsA-3a5xA:
undetectable
5imsA-3a5xA:
23.44
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.
3cvj PUTATIVE
PHOSPHOHEPTOSE
ISOMERASE


(Bacillus
halodurans)
PF13580
(SIS_2)
3 GLY A  65
GLY A  64
GLN A 200
None
0.46A 5imsA-3cvjA:
3.4
5imsA-3cvjA:
16.32
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.
3dme CONSERVED EXPORTED
PROTEIN


(Bordetella
pertussis)
PF01266
(DAO)
3 GLY A 266
GLY A 265
GLN A  86
None
0.46A 5imsA-3dmeA:
undetectable
5imsA-3dmeA:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e1t HALOGENASE

(Chondromyces
crocatus)
PF04820
(Trp_halogenase)
3 GLY A  79
GLY A  78
GLN A 107
None
0.43A 5imsA-3e1tA:
undetectable
5imsA-3e1tA:
22.48
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.
3eo7 PUTATIVE
NITROREDUCTASE


(Trichormus
variabilis)
PF00881
(Nitroreductase)
3 GLY A 481
GLY A 482
GLN A 424
FMN  A 700 (-3.7A)
None
FMN  A 700 (-3.0A)
0.44A 5imsA-3eo7A:
undetectable
5imsA-3eo7A:
23.06
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.
3f5d PROTEIN YDEA

(Bacillus
subtilis)
PF01965
(DJ-1_PfpI)
3 GLY A  48
GLY A  47
GLN A  13
None
0.38A 5imsA-3f5dA:
2.3
5imsA-3f5dA:
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.
3ff1 GLUCOSE-6-PHOSPHATE
ISOMERASE


(Staphylococcus
aureus)
PF00342
(PGI)
3 GLY A 200
GLY A 201
GLN A 413
None
0.46A 5imsA-3ff1A:
4.5
5imsA-3ff1A:
21.70
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.
3fsr NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE


(Clostridium
beijerinckii;
Thermoanaerobacter
brockii)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
3 GLY A 244
GLY A 245
GLN A 251
None
0.30A 5imsA-3fsrA:
2.2
5imsA-3fsrA:
21.71
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.
3hjb GLUCOSE-6-PHOSPHATE
ISOMERASE


(Vibrio cholerae)
PF00342
(PGI)
3 GLY A 269
GLY A 270
GLN A 508
None
0.35A 5imsA-3hjbA:
2.9
5imsA-3hjbA:
24.35
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.
3i3l ALKYLHALIDASE CMLS

(Streptomyces
venezuelae)
PF04820
(Trp_halogenase)
3 GLY A 563
GLY A 564
GLN A 313
None
0.47A 5imsA-3i3lA:
undetectable
5imsA-3i3lA:
25.00
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.
3ifs GLUCOSE-6-PHOSPHATE
ISOMERASE


(Bacillus
anthracis)
PF00342
(PGI)
3 GLY A 206
GLY A 207
GLN A 419
None
0.44A 5imsA-3ifsA:
4.8
5imsA-3ifsA:
22.66
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.
3j08 COPPER-EXPORTING
P-TYPE ATPASE A


(Archaeoglobus
fulgidus)
PF00122
(E1-E2_ATPase)
PF00702
(Hydrolase)
3 GLY A 310
GLY A 309
GLN A 223
None
0.32A 5imsA-3j08A:
undetectable
5imsA-3j08A:
24.25
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.
3j09 COPPER-EXPORTING
P-TYPE ATPASE A


(Archaeoglobus
fulgidus)
PF00122
(E1-E2_ATPase)
PF00403
(HMA)
PF00702
(Hydrolase)
3 GLY A 310
GLY A 309
GLN A 223
None
0.26A 5imsA-3j09A:
4.4
5imsA-3j09A:
24.78
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.
3n6r PROPIONYL-COA
CARBOXYLASE, BETA
SUBUNIT


(Roseobacter
denitrificans)
PF01039
(Carboxyl_trans)
3 GLY B 163
GLY B 162
GLN B 124
None
0.44A 5imsA-3n6rB:
undetectable
5imsA-3n6rB:
23.58
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.
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE


(Escherichia
coli)
PF00342
(PGI)
3 GLY A 268
GLY A 269
GLN A 507
None
0.41A 5imsA-3nbuA:
3.8
5imsA-3nbuA:
23.12
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.
3o5n SH3 AND MULTIPLE
ANKYRIN REPEAT
DOMAINS PROTEIN 3


(Mus musculus)
PF00595
(PDZ)
3 GLY A 727
GLY A 728
GLN A 649
None
0.49A 5imsA-3o5nA:
undetectable
5imsA-3o5nA:
11.33
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.
3ol2 SEMAPHORIN-4D
PLEXIN-B1


(Homo sapiens;
Homo sapiens)
PF00047
(ig)
PF01403
(Sema)
PF01437
(PSI)
PF01403
(Sema)
PF01437
(PSI)
3 GLY B 180
GLY B 179
GLN A 392
None
0.49A 5imsA-3ol2B:
undetectable
5imsA-3ol2B:
22.33
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.
3ooi HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-36 AND H4
LYSINE-20 SPECIFIC


(Homo sapiens)
PF00856
(SET)
3 GLY A  78
GLY A  77
GLN A  83
None
0.48A 5imsA-3ooiA:
undetectable
5imsA-3ooiA:
17.26
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.
3q88 GLUCOSE-6-PHOSPHATE
ISOMERASE


(Francisella
tularensis)
PF00342
(PGI)
3 GLY A 259
GLY A 260
GLN A 498
None
RI2  A 601 ( 3.8A)
RI2  A 601 (-4.6A)
0.36A 5imsA-3q88A:
4.5
5imsA-3q88A:
22.85
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.
3qki GLUCOSE-6-PHOSPHATE
ISOMERASE


(Plasmodium
falciparum)
PF00342
(PGI)
3 GLY A 292
GLY A 293
GLN A 533
None
0.37A 5imsA-3qkiA:
2.6
5imsA-3qkiA:
22.36
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.
3rj8 CARBOHYDRATE OXIDASE

(Microdochium
nivale)
PF01565
(FAD_binding_4)
PF08031
(BBE)
3 GLY A  69
GLY A  68
GLN A  87
FAD  A 501 (-3.3A)
FAD  A 501 (-3.2A)
None
0.30A 5imsA-3rj8A:
undetectable
5imsA-3rj8A:
21.70
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.
3rwk INULINASE

(Aspergillus
ficuum)
PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C)
3 GLY X 171
GLY X 170
GLN X 197
None
0.50A 5imsA-3rwkX:
undetectable
5imsA-3rwkX:
22.54
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.
3s6o POLYSACCHARIDE
DEACETYLASE FAMILY
PROTEIN


(Burkholderia
pseudomallei)
PF01522
(Polysacc_deac_1)
3 GLY A 182
GLY A 181
GLN A 210
None
0.47A 5imsA-3s6oA:
undetectable
5imsA-3s6oA:
19.31
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.
3t6p BACULOVIRAL IAP
REPEAT-CONTAINING
PROTEIN 2


(Homo sapiens)
PF00619
(CARD)
PF00653
(BIR)
PF13920
(zf-C3HC4_3)
3 GLY A 312
GLY A 311
GLN A 593
None
0.44A 5imsA-3t6pA:
undetectable
5imsA-3t6pA:
19.49
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.
3ufk UNDA

(Shewanella sp.
HRCR_06)
PF13435
(Cytochrome_C554)
3 GLY A 274
GLY A 275
GLN A 212
None
0.47A 5imsA-3ufkA:
undetectable
5imsA-3ufkA:
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.
3ujh GLUCOSE-6-PHOSPHATE
ISOMERASE


(Toxoplasma
gondii)
PF00342
(PGI)
3 GLY A 275
GLY A 276
GLN A 512
G6Q  A 571 ( 4.9A)
G6Q  A 571 ( 3.4A)
G6Q  A 571 ( 3.5A)
0.42A 5imsA-3ujhA:
undetectable
5imsA-3ujhA:
22.36
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.
4dbe OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE


(Sulfolobus
solfataricus)
PF00215
(OMPdecase)
3 GLY A 142
GLY A 143
GLN A 169
None
None
BMP  A 301 (-3.3A)
0.45A 5imsA-4dbeA:
undetectable
5imsA-4dbeA:
16.35
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.
4em6 GLUCOSE-6-PHOSPHATE
ISOMERASE


(Brucella
melitensis)
no annotation 3 GLY D 266
GLY D 267
GLN D 506
None
0.38A 5imsA-4em6D:
2.8
5imsA-4em6D:
23.12
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.
4hea NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 12


(Thermus
thermophilus)
PF00361
(Proton_antipo_M)
PF00662
(Proton_antipo_N)
3 GLY L 375
GLY L 374
GLN L 302
None
0.41A 5imsA-4heaL:
undetectable
5imsA-4heaL:
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.
4ipn 6-PHOSPHO-BETA-GLUCO
SIDASE


(Streptococcus
pneumoniae)
PF00232
(Glyco_hydro_1)
3 GLY B  40
GLY B  39
GLN B  33
None
0.37A 5imsA-4ipnB:
undetectable
5imsA-4ipnB:
23.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j7h EVAA 2,3-DEHYDRATASE

(Amycolatopsis
orientalis)
PF03559
(Hexose_dehydrat)
3 GLY A 406
GLY A 407
GLN A 153
None
None
TLO  A 501 (-4.0A)
0.44A 5imsA-4j7hA:
undetectable
5imsA-4j7hA:
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.
4kmr TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY


(Sanguibacter
keddieii)
PF13377
(Peripla_BP_3)
3 GLY A 108
GLY A 107
GLN A  80
None
0.39A 5imsA-4kmrA:
5.5
5imsA-4kmrA:
18.80
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.
4ne4 ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(PROLINE/GLYCINE/BET
AINE)


(Agrobacterium
fabrum)
PF04069
(OpuAC)
3 GLY A 138
GLY A 139
GLN A 171
None
0.45A 5imsA-4ne4A:
undetectable
5imsA-4ne4A:
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.
4okd ISOAMYLASE

(Chlamydomonas
reinhardtii)
PF00128
(Alpha-amylase)
PF02922
(CBM_48)
3 GLY A 482
GLY A 483
GLN A 467
None
0.45A 5imsA-4okdA:
undetectable
5imsA-4okdA:
23.66
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.
4q20 SENSOR PROTEIN DIVL

(Caulobacter
vibrioides)
PF00512
(HisKA)
PF02518
(HATPase_c)
3 GLY A 718
GLY A 719
GLN A 589
None
0.49A 5imsA-4q20A:
undetectable
5imsA-4q20A:
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.
4qfh GLUCOSE-6-PHOSPHATE
ISOMERASE


(Trypanosoma
cruzi)
PF00342
(PGI)
3 GLY A 325
GLY A 326
GLN A 565
None
G6P  A 700 ( 4.0A)
G6P  A 700 ( 4.7A)
0.39A 5imsA-4qfhA:
4.5
5imsA-4qfhA:
24.11
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.
4r2b EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY 1


(Ochrobactrum
anthropi)
PF01547
(SBP_bac_1)
3 GLY A  69
GLY A  70
GLN A 192
None
GLC  A 501 (-3.3A)
None
0.44A 5imsA-4r2bA:
undetectable
5imsA-4r2bA:
20.50
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.
4wep PUTATIVE
OSMOPROTECTANT
UPTAKE SYSTEM
SUBSTRATE-BINDING
PROTEIN OSMF


(Escherichia
coli)
PF04069
(OpuAC)
3 GLY A 157
GLY A 158
GLN A 190
None
0.47A 5imsA-4wepA:
undetectable
5imsA-4wepA:
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.
4wmj GLUCOSE-6-PHOSPHATE
ISOMERASE


(Colias
eurytheme)
PF00342
(PGI)
3 GLY A 274
GLY A 275
GLN A 515
None
0.38A 5imsA-4wmjA:
2.9
5imsA-4wmjA:
22.66
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.
4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K


(Homo sapiens)
PF07714
(Pkinase_Tyr)
3 GLY A 544
GLY A 545
GLN A 554
None
4CV  A 801 ( 4.0A)
None
0.48A 5imsA-4yffA:
undetectable
5imsA-4yffA:
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.
5abm RETINAL
DEHYDROGENASE 1


(Ovis aries)
PF00171
(Aldedh)
3 GLY A 110
GLY A 111
GLN A 300
None
0.47A 5imsA-5abmA:
undetectable
5imsA-5abmA:
21.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ahk ACETOLACTATE
SYNTHASE II, LARGE
SUBUNIT


(Pseudomonas
protegens)
PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
3 GLY A  24
GLY A  25
GLN A 119
None
0.24A 5imsA-5ahkA:
42.0
5imsA-5ahkA:
33.38
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.
5e9u GLYCOSYLTRANSFERASE-
STABILIZING PROTEIN
GTF2


(Streptococcus
gordonii)
no annotation 3 GLY B 360
GLY B 361
GLN B  77
None
0.44A 5imsA-5e9uB:
3.0
5imsA-5e9uB:
21.14
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.
5eeb ALDEHYDE
DEHYDROGENASE


(Pyrobaculum
ferrireducens)
PF00171
(Aldedh)
3 GLY A  96
GLY A  97
GLN A 285
None
0.49A 5imsA-5eebA:
3.1
5imsA-5eebA:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fa9 PEPTIDE METHIONINE
SULFOXIDE REDUCTASE
MSRA


(Treponema
denticola)
PF01625
(PMSR)
PF01641
(SelR)
3 GLY A 264
GLY A 265
GLN A 189
None
0.39A 5imsA-5fa9A:
undetectable
5imsA-5fa9A:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gw5 T-COMPLEX PROTEIN 1
SUBUNIT DELTA


(Saccharomyces
cerevisiae)
PF00118
(Cpn60_TCP1)
3 GLY d 415
GLY d 414
GLN d 499
None
0.36A 5imsA-5gw5d:
undetectable
5imsA-5gw5d:
24.16
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.
5j5d 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE


(Mycobacterium
tuberculosis)
PF00701
(DHDPS)
3 GLY A 255
GLY A 256
GLN A 278
None
0.46A 5imsA-5j5dA:
undetectable
5imsA-5j5dA:
20.68
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.
5j6f 3-DEOXY-D-ARABINO-HE
PTULOSONATE
7-PHOSPHATE
SYNTHASE, CHORISMATE
MUTASE-ISOZYME 3


(Geobacillus sp.
GHH01)
PF00793
(DAHP_synth_1)
PF01817
(CM_2)
3 GLY A 152
GLY A 151
GLN A 206
None
0.48A 5imsA-5j6fA:
undetectable
5imsA-5j6fA:
20.12
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.
5nlm INDOXYL
UDP-GLUCOSYLTRANSFER
ASE


(Persicaria
tinctoria)
no annotation 3 GLY A 365
GLY A 366
GLN A 303
MG  A1003 (-4.1A)
None
None
0.45A 5imsA-5nlmA:
2.8
5imsA-5nlmA:
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.
5uve SUBSTRATE-BINDING
REGION OF ABC-TYPE
GLYCINE BETAINE
TRANSPORT SYSTEM


(Brucella
abortus)
PF04069
(OpuAC)
3 GLY A 156
GLY A 157
GLN A 189
None
0.45A 5imsA-5uveA:
undetectable
5imsA-5uveA:
19.43
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.
5vgr ATLASTIN-3

(Homo sapiens)
PF02263
(GBP)
PF02841
(GBP_C)
3 GLY A 110
GLY A 111
GLN A 120
None
0.47A 5imsA-5vgrA:
2.4
5imsA-5vgrA:
21.82
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.
5vip MDCE
MDCD


(Pseudomonas
aeruginosa;
Pseudomonas
aeruginosa)
PF06833
(MdcE)
PF01039
(Carboxyl_trans)
3 GLY B 162
GLY B 161
GLN A 100
None
0.40A 5imsA-5vipB:
3.4
5imsA-5vipB:
17.89
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.
5xjh POLY(ETHYLENE
TEREPHTHALATE)
HYDROLASE


(Ideonella
sakaiensis)
no annotation 3 GLY A 163
GLY A 162
GLN A 127
None
0.47A 5imsA-5xjhA:
2.7
5imsA-5xjhA:
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.
5xm3 GLUCOSE
DEHYDROGENASE
METHANOL
DEHYDROGENASE
[CYTOCHROME C]
SUBUNIT 2


(Methylophaga
aminisulfidivorans;
Methylophaga
aminisulfidivorans)
no annotation
no annotation
3 GLY A 270
GLY A 269
GLN B  64
None
0.36A 5imsA-5xm3A:
undetectable
5imsA-5xm3A:
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.
5y92 RECEPTOR-LIKE
PROTEIN KINASE
ANXUR2


(Arabidopsis
thaliana)
no annotation 3 GLY A 348
GLY A 349
GLN A 264
None
0.40A 5imsA-5y92A:
undetectable
5imsA-5y92A:
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.
6ane POLY(ETHYLENE
TEREPHTHALATE)
HYDROLASE


(Ideonella
sakaiensis)
no annotation 3 GLY A 136
GLY A 135
GLN A 100
None
0.46A 5imsA-6aneA:
2.9
5imsA-6aneA:
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.
6b5i RETINAL
DEHYDROGENASE 2


(Homo sapiens)
no annotation 3 GLY A 128
GLY A 129
GLN A 318
None
0.32A 5imsA-6b5iA:
2.5
5imsA-6b5iA:
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.
6bfu SPIKE PROTEIN

(Coronavirus
HKU15)
no annotation 3 GLY A 117
GLY A 118
GLN A 124
None
None
NAG  A1241 ( 3.9A)
0.44A 5imsA-6bfuA:
undetectable
5imsA-6bfuA:
19.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bzc GLUCOSE-6-PHOSPHATE
ISOMERASE


(Elizabethkingia
anophelis)
no annotation 3 GLY A 267
GLY A 268
GLN A 506
None
G6P  A 601 ( 3.9A)
G6P  A 601 ( 4.2A)
0.36A 5imsA-6bzcA:
4.8
5imsA-6bzcA:
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.
6c0e ISOCITRATE
DEHYDROGENASE


(Legionella
pneumophila)
no annotation 3 GLY A 115
GLY A 114
GLN A 172
None
0.44A 5imsA-6c0eA:
undetectable
5imsA-6c0eA:
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.
6djw RBR-TYPE E3
UBIQUITIN
TRANSFERASE,RBR-TYPE
E3 UBIQUITIN
TRANSFERASE


(Bactrocera
dorsalis)
no annotation 3 GLY A  27
GLY A  28
GLN A  92
None
0.45A 5imsA-6djwA:
undetectable
5imsA-6djwA:
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.
6djx RBR-TYPE E3
UBIQUITIN
TRANSFERASE,RBR-TYPE
E3 UBIQUITIN
TRANSFERASE


(Bactrocera
dorsalis)
no annotation 3 GLY A  27
GLY A  28
GLN A  92
None
0.45A 5imsA-6djxA:
undetectable
5imsA-6djxA:
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.
6eq8 PERIPLASMIC
ALPHA-GALACTOSIDE-BI
NDING PROTEIN


(Agrobacterium
tumefaciens)
no annotation 3 GLY D 192
GLY D 193
GLN D 547
None
0.42A 5imsA-6eq8D:
undetectable
5imsA-6eq8D:
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.
6req PROTEIN
(METHYLMALONYL-COA
MUTASE)


(Propionibacterium
freudenreichii)
PF01642
(MM_CoA_mutase)
3 GLY B 353
GLY B 354
GLN B 322
None
0.43A 5imsA-6reqB:
undetectable
5imsA-6reqB:
23.23