SIMILAR PATTERNS OF AMINO ACIDS FOR 3ROD_D_NCAD302

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.
1b0k PROTEIN (ACONITASE)

(Sus scrofa)
PF00330
(Aconitase)
PF00694
(Aconitase_C)
4 LEU A 102
ASP A 100
ALA A 420
ASP A  73
None
1.01A 3rodD-1b0kA:
0.7
3rodD-1b0kA:
18.26
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.
1b2h PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN


(Salmonella
enterica)
PF00496
(SBP_bac_5)
4 TYR A 275
LEU A 374
ALA A 377
TYR A 483
None
1.01A 3rodD-1b2hA:
0.0
3rodD-1b2hA:
20.44
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.
1bg6 N-(1-D-CARBOXYLETHYL
)-L-NORVALINE
DEHYDROGENASE


(Arthrobacter
sp. 1C)
PF02317
(Octopine_DH)
PF02558
(ApbA)
4 TYR A 222
ASP A 238
ALA A 234
TYR A 259
None
1.21A 3rodD-1bg6A:
4.4
3rodD-1bg6A:
21.51
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.
1bs9 ACETYL XYLAN
ESTERASE


(Talaromyces
purpureogenus)
PF01083
(Cutinase)
4 TYR A  43
ASP A  97
ASP A 133
TYR A  57
None
1.09A 3rodD-1bs9A:
1.6
3rodD-1bs9A:
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.
1g0v PROTEINASE A
PROTEASE A INHIBITOR
3


(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae)
PF00026
(Asp)
PF10466
(Inhibitor_I34)
4 LEU B  19
ASP B  22
ALA B  23
TYR A 189
None
1.20A 3rodD-1g0vB:
undetectable
3rodD-1g0vB:
9.59
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.
1ji4 NEUTROPHIL-ACTIVATIN
G PROTEIN A


(Helicobacter
pylori)
PF00210
(Ferritin)
4 TYR A 124
LEU A  10
ASP A  13
ALA A  14
None
1.19A 3rodD-1ji4A:
undetectable
3rodD-1ji4A:
16.14
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.
1jne IMAGINAL DISC GROWTH
FACTOR-2


(Drosophila
melanogaster)
PF00704
(Glyco_hydro_18)
4 LEU A  43
ALA A  41
ASP A  88
TYR A 131
None
1.17A 3rodD-1jneA:
undetectable
3rodD-1jneA:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lwr NEURAL CELL ADHESION
MOLECULE 1, 140 KDA
ISOFORM


(Rattus
norvegicus)
PF00041
(fn3)
4 LEU A  65
ASP A  66
ALA A  69
TYR A  40
None
1.21A 3rodD-1lwrA:
undetectable
3rodD-1lwrA:
15.96
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.
1mvo PHOP RESPONSE
REGULATOR


(Bacillus
subtilis)
PF00072
(Response_reg)
4 LEU A  78
ASP A  98
ALA A  97
TYR A 100
None
NA  A 202 (-2.8A)
None
None
1.11A 3rodD-1mvoA:
undetectable
3rodD-1mvoA:
23.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o9r AGROBACTERIUM
TUMEFACIENS DPS


(Agrobacterium
tumefaciens)
PF00210
(Ferritin)
4 LEU A  62
ASP A 146
ALA A 143
TYR A 114
None
1.01A 3rodD-1o9rA:
undetectable
3rodD-1o9rA:
20.27
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.
1pci PROCARICAIN

(Carica papaya)
PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29)
4 TYR A 211
ASP A  88
ALA A  89
TYR A  67
None
1.04A 3rodD-1pciA:
undetectable
3rodD-1pciA:
23.03
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.
1q5q PROTEASOME BETA-TYPE
SUBUNIT 1


(Rhodococcus
erythropolis)
PF00227
(Proteasome)
4 LEU H 109
ASP H 108
ALA H 117
TYR H 107
None
1.08A 3rodD-1q5qH:
undetectable
3rodD-1q5qH:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q5r PROTEASOME BETA-TYPE
SUBUNIT 1


(Rhodococcus
erythropolis)
PF00227
(Proteasome)
4 LEU H 109
ASP H 108
ALA H 117
TYR H 107
None
1.08A 3rodD-1q5rH:
undetectable
3rodD-1q5rH:
22.84
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.
1qoz ACETYL XYLAN
ESTERASE


(Trichoderma
reesei)
PF01083
(Cutinase)
4 TYR A  43
ASP A  97
ASP A 133
TYR A  57
None
1.05A 3rodD-1qozA:
undetectable
3rodD-1qozA:
18.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qu2 ISOLEUCYL-TRNA
SYNTHETASE


(Staphylococcus
aureus)
PF00133
(tRNA-synt_1)
PF06827
(zf-FPG_IleRS)
PF08264
(Anticodon_1)
4 LEU A  52
ASP A 550
ALA A 549
TYR A 552
None
1.18A 3rodD-1qu2A:
undetectable
3rodD-1qu2A:
14.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r44 D-ALANYL-D-ALANINE
DIPEPTIDASE


(Enterococcus
faecium)
PF01427
(Peptidase_M15)
4 TYR A  70
ASP A  33
ALA A  75
TYR A  35
None
1.14A 3rodD-1r44A:
undetectable
3rodD-1r44A:
23.43
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.
1tol PROTEIN (FUSION
PROTEIN CONSISTING
OF MINOR COAT
PROTEIN, GLYCINE
RICH LINKER, TOLA,
AND A HIS TAG)


(Escherichia
coli;
Escherichia
virus M13)
PF05357
(Phage_Coat_A)
PF06519
(TolA)
4 LEU A 161
ASP A 164
TYR A 201
TYR A 132
None
1.12A 3rodD-1tolA:
undetectable
3rodD-1tolA:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vkn N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE
REDUCTASE


(Thermotoga
maritima)
PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC)
4 ALA A  76
ASP A  93
TYR A 106
TYR A 117
None
1.20A 3rodD-1vknA:
undetectable
3rodD-1vknA:
24.19
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.
1xfa CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR


(Mus musculus)
PF00005
(ABC_tran)
PF14396
(CFTR_R)
4 LEU A 454
ASP A 614
ALA A 613
TYR A 627
None
1.15A 3rodD-1xfaA:
undetectable
3rodD-1xfaA:
25.16
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.
1z1w TRICORN PROTEASE
INTERACTING FACTOR
F3


(Thermoplasma
acidophilum)
PF01433
(Peptidase_M1)
PF11838
(ERAP1_C)
4 LEU A  34
ASP A  35
ALA A  36
TYR A   6
None
1.06A 3rodD-1z1wA:
undetectable
3rodD-1z1wA:
16.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zmr PHOSPHOGLYCERATE
KINASE


(Escherichia
coli)
PF00162
(PGK)
4 TYR A 358
LEU A 166
ALA A 168
ASP A 139
None
1.12A 3rodD-1zmrA:
undetectable
3rodD-1zmrA:
22.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2a14 INDOLETHYLAMINE
N-METHYLTRANSFERASE


(Homo sapiens)
PF01234
(NNMT_PNMT_TEMT)
4 TYR A  20
LEU A 164
TYR A 204
TYR A 242
SAH  A4001 (-4.2A)
SAH  A4001 (-4.3A)
None
None
0.53A 3rodD-2a14A:
42.5
3rodD-2a14A:
48.94
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.
2dpg GLUCOSE 6-PHOSPHATE
DEHYDROGENASE


(Leuconostoc
mesenteroides)
PF00479
(G6PD_N)
PF02781
(G6PD_C)
4 LEU A 457
ASP A 453
ALA A 455
TYR A 450
None
1.08A 3rodD-2dpgA:
undetectable
3rodD-2dpgA:
20.33
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.
2f46 HYPOTHETICAL PROTEIN

(Neisseria
meningitidis)
PF04273
(DUF442)
4 ASP A  59
ALA A  61
ASP A  51
TYR A 107
None
None
CL  A 156 (-4.5A)
None
1.16A 3rodD-2f46A:
undetectable
3rodD-2f46A:
21.51
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.
2flq NITRIC OXIDE
SYNTHASE


(Geobacillus
stearothermophilus)
PF02898
(NO_synthase)
4 LEU A 155
ASP A 151
ALA A 140
TYR A 142
None
1.09A 3rodD-2flqA:
undetectable
3rodD-2flqA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gv9 DNA POLYMERASE

(Human
alphaherpesvirus
1)
PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1)
4 TYR A 483
LEU A 390
ASP A 389
ALA A 384
None
1.18A 3rodD-2gv9A:
undetectable
3rodD-2gv9A:
12.33
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.
2hl9 UBIQUITIN-LIKE-SPECI
FIC PROTEASE 1


(Saccharomyces
cerevisiae)
PF02902
(Peptidase_C48)
4 ASP A 603
ALA A 604
ASP A 600
TYR A 583
None
1.19A 3rodD-2hl9A:
undetectable
3rodD-2hl9A:
20.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i2l YOPX PROTEIN

(Bacillus
subtilis)
PF09643
(YopX)
4 LEU A  33
ASP A   9
ALA A  52
TYR A   5
None
1.15A 3rodD-2i2lA:
undetectable
3rodD-2i2lA:
19.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2i62 NICOTINAMIDE
N-METHYLTRANSFERASE


(Mus musculus)
PF01234
(NNMT_PNMT_TEMT)
7 TYR A  21
LEU A 165
ASP A 168
ALA A 169
ASP A 198
TYR A 205
TYR A 243
SAH  A4001 (-4.5A)
SAH  A4001 (-4.2A)
None
SAH  A4001 ( 4.1A)
None
None
None
0.31A 3rodD-2i62A:
44.8
3rodD-2i62A:
79.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2i62 NICOTINAMIDE
N-METHYLTRANSFERASE


(Mus musculus)
PF01234
(NNMT_PNMT_TEMT)
4 TYR A  26
LEU A 165
ASP A 198
TYR A 243
SAH  A4001 (-4.4A)
SAH  A4001 (-4.2A)
None
None
1.02A 3rodD-2i62A:
44.8
3rodD-2i62A:
79.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2iip NICOTINAMIDE
N-METHYLTRANSFERASE


(Homo sapiens)
PF01234
(NNMT_PNMT_TEMT)
7 TYR A  20
LEU A 164
ASP A 167
ALA A 168
ASP A 197
TYR A 204
TYR A 242
SAH  A4001 (-4.6A)
SAH  A4001 (-4.1A)
None
SAH  A4001 ( 3.9A)
None
None
None
0.40A 3rodD-2iipA:
43.3
3rodD-2iipA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2iip NICOTINAMIDE
N-METHYLTRANSFERASE


(Homo sapiens)
PF01234
(NNMT_PNMT_TEMT)
5 TYR A  25
LEU A 164
ASP A 167
ASP A 197
TYR A 242
SAH  A4001 (-4.4A)
SAH  A4001 (-4.1A)
None
None
None
1.27A 3rodD-2iipA:
43.3
3rodD-2iipA:
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.
2jyz CG7054-PA

(Drosophila
melanogaster)
PF01161
(PBP)
4 ASP A  64
ALA A  65
ASP A  62
TYR A 166
None
1.20A 3rodD-2jyzA:
undetectable
3rodD-2jyzA:
21.75
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.
2l08 REGULATOR OF
NONSENSE TRANSCRIPTS
3A


(Homo sapiens)
PF03467
(Smg4_UPF3)
4 TYR A  86
LEU A  46
ASP A  45
ALA A  44
None
1.04A 3rodD-2l08A:
undetectable
3rodD-2l08A:
15.83
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.
2m5t HUMAN RHINOVIRUS 2A
PROTEINASE


(Rhinovirus C)
PF00947
(Pico_P2A)
4 TYR A 135
ASP A  38
ALA A  12
TYR A  14
None
1.06A 3rodD-2m5tA:
undetectable
3rodD-2m5tA:
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.
2o6i HD DOMAIN PROTEIN

(Enterococcus
faecalis)
PF01966
(HD)
4 LEU A 188
ASP A 191
ALA A 192
TYR A 239
None
0.94A 3rodD-2o6iA:
undetectable
3rodD-2o6iA:
22.75
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.
2pjr PROTEIN (HELICASE
PCRA)


(Geobacillus
stearothermophilus)
PF00580
(UvrD-helicase)
PF13361
(UvrD_C)
4 LEU A 116
ASP A 117
ALA A 539
ASP A 120
None
1.21A 3rodD-2pjrA:
undetectable
3rodD-2pjrA:
20.96
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.
2q1f CHONDROITINASE

(Bacteroides
thetaiotaomicron)
PF02278
(Lyase_8)
PF09092
(Lyase_N)
PF09093
(Lyase_catalyt)
4 LEU A 194
ASP A 177
ALA A 176
TYR A 346
None
1.16A 3rodD-2q1fA:
undetectable
3rodD-2q1fA:
13.77
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.
2rfz CELLULOSE
1,4-BETA-CELLOBIOSID
ASE


(Melanocarpus
albomyces)
PF00840
(Glyco_hydro_7)
4 TYR A 145
ASP A 179
ALA A 177
TYR A 171
CTR  A 431 (-3.8A)
CTR  A 432 (-2.3A)
None
None
1.19A 3rodD-2rfzA:
undetectable
3rodD-2rfzA:
18.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2uz0 TRIBUTYRIN ESTERASE

(Streptococcus
pneumoniae)
PF00756
(Esterase)
4 ASP A  87
ALA A  91
ASP A  81
TYR A  84
None
1.20A 3rodD-2uz0A:
undetectable
3rodD-2uz0A:
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.
3ak8 DNA PROTECTION
DURING STARVATION
PROTEIN


(Salmonella
enterica)
PF00210
(Ferritin)
4 LEU A  73
ASP A 154
ALA A 151
TYR A 125
None
0.86A 3rodD-3ak8A:
undetectable
3rodD-3ak8A:
18.73
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.
3esr D,D-HEPTOSE
1,7-BISPHOSPHATE
PHOSPHATASE


(Escherichia
coli)
PF13242
(Hydrolase_like)
4 LEU A 144
ALA A  27
ASP A 107
TYR A 110
None
1.10A 3rodD-3esrA:
undetectable
3rodD-3esrA:
27.24
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.
3fv3 SAPP1P-SECRETED
ASPARTIC PROTEASE 1


(Candida
parapsilosis)
PF00026
(Asp)
4 LEU A 318
ASP A 319
ALA A 320
TYR A 158
None
1.02A 3rodD-3fv3A:
undetectable
3rodD-3fv3A:
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.
3g85 TRANSCRIPTIONAL
REGULATOR (LACI
FAMILY)


(Clostridium
acetobutylicum)
PF13377
(Peripla_BP_3)
4 TYR A 158
LEU A 144
ALA A 126
TYR A 138
None
1.15A 3rodD-3g85A:
undetectable
3rodD-3g85A:
20.66
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.
3get HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE


(Campylobacter
jejuni)
PF00155
(Aminotran_1_2)
4 TYR A  77
ASP A 190
ALA A 191
TYR A 220
None
LLP  A 226 ( 2.6A)
None
None
1.20A 3rodD-3getA:
undetectable
3rodD-3getA:
21.41
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.
3h5t TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY


(Corynebacterium
glutamicum)
PF00356
(LacI)
PF13377
(Peripla_BP_3)
4 TYR A  81
ASP A 277
ALA A 278
ASP A 304
None
1.01A 3rodD-3h5tA:
undetectable
3rodD-3h5tA:
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.
3hn0 NITRATE TRANSPORT
PROTEIN


(Parabacteroides
distasonis)
no annotation 4 ASP A 188
ALA A 187
TYR A 134
TYR A 133
None
0.93A 3rodD-3hn0A:
undetectable
3rodD-3hn0A:
23.82
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.
3iwp COPPER HOMEOSTASIS
PROTEIN CUTC HOMOLOG


(Homo sapiens)
PF03932
(CutC)
4 LEU A  90
ASP A 126
ALA A 118
TYR A  91
None
1.15A 3rodD-3iwpA:
undetectable
3rodD-3iwpA:
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.
3jtx AMINOTRANSFERASE

(Neisseria
meningitidis)
PF00155
(Aminotran_1_2)
4 LEU A 344
ASP A 389
ALA A 386
TYR A 394
None
1.20A 3rodD-3jtxA:
undetectable
3rodD-3jtxA:
22.03
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.
3l8e D,D-HEPTOSE
1,7-BISPHOSPHATE
PHOSPHATASE


(Escherichia
coli)
PF13242
(Hydrolase_like)
4 LEU A 124
ALA A   7
ASP A  87
TYR A  90
None
1.09A 3rodD-3l8eA:
undetectable
3rodD-3l8eA:
22.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3li9 HYPOTHETICAL SENSORY
TRANSDUCTION
HISTIDINE KINASE


(Methanosarcina
mazei)
PF02743
(dCache_1)
4 TYR A 157
ASP A 111
ALA A 112
ASP A 117
None
0.80A 3rodD-3li9A:
undetectable
3rodD-3li9A:
22.98
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.
3lib HYPOTHETICAL SENSORY
TRANSDUCTION
HISTIDINE KINASE


(Methanosarcina
mazei)
PF02743
(dCache_1)
4 TYR A 156
ASP A 110
ALA A 111
ASP A 116
None
0.86A 3rodD-3libA:
undetectable
3rodD-3libA:
19.32
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.
3lkd TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLTRANSFERASE
SUBUNIT


(Streptococcus
thermophilus)
PF02384
(N6_Mtase)
PF12161
(HsdM_N)
4 TYR A  41
LEU A  99
ASP A  98
ALA A 103
None
1.20A 3rodD-3lkdA:
9.3
3rodD-3lkdA:
18.90
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.
3o6u UNCHARACTERIZED
PROTEIN CPE2226


(Clostridium
perfringens)
PF04205
(FMN_bind)
4 TYR A  96
ALA A  48
ASP A  42
TYR A  81
None
0.94A 3rodD-3o6uA:
undetectable
3rodD-3o6uA:
19.08
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.
3pie 5'->3'
EXORIBONUCLEASE
(XRN1)


(Kluyveromyces
lactis)
PF03159
(XRN_N)
4 LEU A 205
ASP A 206
ALA A 207
TYR A 203
None
1.15A 3rodD-3pieA:
undetectable
3rodD-3pieA:
12.98
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.
3uhj PROBABLE GLYCEROL
DEHYDROGENASE


(Sinorhizobium
meliloti)
PF00465
(Fe-ADH)
4 TYR A 153
ASP A 143
ALA A 144
ASP A 193
None
ZN  A 388 (-3.6A)
None
ZN  A 388 (-2.2A)
1.14A 3rodD-3uhjA:
undetectable
3rodD-3uhjA:
25.25
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.
3wfl BETA-MANNANASE

(Talaromyces
trachyspermus)
PF00150
(Cellulase)
4 TYR A 187
LEU A 121
ALA A  62
TYR A 179
None
1.17A 3rodD-3wflA:
undetectable
3rodD-3wflA:
19.11
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.
4anj UNCONVENTIONAL
MYOSIN-VI, GREEN
FLUORESCENT PROTEIN


(Aequorea
victoria;
Sus scrofa)
PF00063
(Myosin_head)
PF01353
(GFP)
4 LEU A 306
ASP A 313
ALA A 283
TYR A 300
None
1.18A 3rodD-4anjA:
undetectable
3rodD-4anjA:
15.06
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata)
PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s)
4 TYR A 377
LEU A 362
ASP A 364
ASP A 361
None
1.12A 3rodD-4bedA:
undetectable
3rodD-4bedA:
10.55
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.
4bkw ZINC FINGER FYVE
DOMAIN-CONTAINING
PROTEIN 9


(Homo sapiens)
PF11979
(DUF3480)
4 LEU A1002
ASP A1005
ALA A1006
TYR A1035
None
0.87A 3rodD-4bkwA:
undetectable
3rodD-4bkwA:
20.23
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.
4dyu DNA PROTECTION
DURING STARVATION
PROTEIN


(Yersinia pestis)
PF00210
(Ferritin)
4 LEU A  73
ASP A 154
ALA A 151
TYR A 125
None
0.83A 3rodD-4dyuA:
undetectable
3rodD-4dyuA:
19.72
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.
4euf PUTATIVE REDUCTASE
CA_C0462


(Clostridium
acetobutylicum)
PF07055
(Eno-Rase_FAD_bd)
PF12241
(Enoyl_reductase)
PF12242
(Eno-Rase_NADH_b)
4 TYR A  18
LEU A 396
ALA A  78
TYR A  89
None
1.07A 3rodD-4eufA:
undetectable
3rodD-4eufA:
25.23
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.
4evd NEUTROPHIL-ACTIVATIN
G PROTEIN


(Helicobacter
pylori)
PF00210
(Ferritin)
4 TYR A 124
LEU A  10
ASP A  13
ALA A  14
None
1.20A 3rodD-4evdA:
undetectable
3rodD-4evdA:
24.48
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.
4f37 COLICIN-E7 IMMUNITY
PROTEIN


(Escherichia
coli)
PF01320
(Colicin_Pyocin)
4 LEU A  50
ALA A  44
ASP A  47
TYR A  71
None
1.21A 3rodD-4f37A:
undetectable
3rodD-4f37A:
17.59
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.
4fzv PUTATIVE
METHYLTRANSFERASE
NSUN4


(Homo sapiens)
PF01189
(Methyltr_RsmB-F)
4 LEU A 180
ASP A 179
ALA A 201
TYR A 249
None
SAM  A 401 ( 4.2A)
None
None
1.16A 3rodD-4fzvA:
9.9
3rodD-4fzvA:
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.
4hwt THREONINE--TRNA
LIGASE, CYTOPLASMIC


(Homo sapiens)
PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
4 LEU A 627
ALA A 592
ASP A 494
TYR A 520
None
0.85A 3rodD-4hwtA:
undetectable
3rodD-4hwtA:
22.41
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.
4jg3 CATABOLITE
REPRESSION CONTROL
PROTEIN


(Pseudomonas
aeruginosa)
PF03372
(Exo_endo_phos)
4 TYR A 135
ALA A 108
ASP A 101
TYR A  97
None
1.09A 3rodD-4jg3A:
undetectable
3rodD-4jg3A:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k35 GLYCOSIDE HYDROLASE
FAMILY 81
ENDO-BETA-1,3-GLUCAN
ASE


(Rhizomucor
miehei)
PF03639
(Glyco_hydro_81)
4 TYR A 625
LEU A 633
ASP A  98
TYR A 101
None
None
TRS  A 802 (-3.7A)
None
1.20A 3rodD-4k35A:
undetectable
3rodD-4k35A:
17.64
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.
4mfz DBV8 PROTEIN

(Nonomuraea
gerenzanensis)
no annotation 4 LEU A  71
ALA A  61
ASP A  68
TYR A 113
None
1.17A 3rodD-4mfzA:
undetectable
3rodD-4mfzA:
26.05
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.
4ote LIPOPROTEIN

(Clostridioides
difficile)
PF03180
(Lipoprotein_9)
4 LEU A 205
ASP A 206
ALA A 207
TYR A 116
None
1.19A 3rodD-4oteA:
undetectable
3rodD-4oteA:
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.
4r0v FE-HYDROGENASE

(Chlamydomonas
reinhardtii)
PF02256
(Fe_hyd_SSU)
PF02906
(Fe_hyd_lg_C)
4 LEU A 131
ALA A  92
ASP A 129
TYR A 444
None
1.15A 3rodD-4r0vA:
undetectable
3rodD-4r0vA:
19.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rl9 CARBAPENEM-ASSOCIATE
D RESISTANCE PROTEIN


(Acinetobacter
baumannii)
no annotation 4 TYR A  48
ASP A  71
ASP A  52
TYR A  30
None
1.14A 3rodD-4rl9A:
undetectable
3rodD-4rl9A:
20.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ru0 PUTATIVE
BRANCHED-CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC
BRANCHED-CHAIN AMINO
ACID-BINDING PROTEIN


(Pseudomonas
protegens)
PF13458
(Peripla_BP_6)
4 TYR A 323
ASP A 264
ALA A 267
TYR A 289
None
1.19A 3rodD-4ru0A:
undetectable
3rodD-4ru0A:
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.
4uoo LIPOTEICHOIC ACID
SYNTHASE


(Listeria
monocytogenes)
PF00884
(Sulfatase)
4 TYR A 259
LEU A 539
ALA A 338
TYR A 413
None
1.01A 3rodD-4uooA:
undetectable
3rodD-4uooA:
22.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a0m INTRON-ENCODED
ENDONUCLEASE I-SCEI


(Saccharomyces
cerevisiae)
PF03161
(LAGLIDADG_2)
4 TYR A 375
ASP A 344
ALA A 345
ASP A 444
None
MN  A1529 ( 2.7A)
None
None
0.96A 3rodD-5a0mA:
undetectable
3rodD-5a0mA:
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.
5a7m BETA-XYLOSIDASE

(Trichoderma
reesei)
PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like)
4 ASP A 293
ALA A 294
ASP A 323
TYR A 152
None
None
None
GOL  A1922 (-4.6A)
1.18A 3rodD-5a7mA:
undetectable
3rodD-5a7mA:
17.78
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.
5ao8 SOLUBLE LYTIC
TRANGLYCOSILASE B3


(Pseudomonas
aeruginosa)
PF01471
(PG_binding_1)
PF13406
(SLT_2)
4 LEU A 340
ASP A 136
ALA A 137
TYR A 148
None
1.00A 3rodD-5ao8A:
undetectable
3rodD-5ao8A:
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.
5b4s CHITOSANASE

(Mitsuaria
chitosanitabida)
PF13647
(Glyco_hydro_80)
4 LEU A  34
ASP A  37
ALA A  38
TYR A 170
None
1.21A 3rodD-5b4sA:
undetectable
3rodD-5b4sA:
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.
5bt8 PHOSPHOGLYCERATE
KINASE


(Acinetobacter
baumannii)
PF00162
(PGK)
4 TYR A 368
LEU A 166
ALA A 168
ASP A 139
None
1.18A 3rodD-5bt8A:
undetectable
3rodD-5bt8A:
25.42
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.
5bz0 REPLICASE
POLYPROTEIN 1AB


(Avian
coronavirus)
PF08715
(Viral_protease)
4 LEU A 230
ASP A 168
ALA A 167
TYR A 169
None
1.17A 3rodD-5bz0A:
undetectable
3rodD-5bz0A:
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.
5f1u 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE


(Campylobacter
jejuni)
PF00701
(DHDPS)
4 LEU A  78
ASP A 102
ALA A 101
TYR A 163
None
0.97A 3rodD-5f1uA:
undetectable
3rodD-5f1uA:
20.44
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.
5jpe SERINE/THREONINE-PRO
TEIN PHOSPHATASE


(Candida
albicans)
PF00149
(Metallophos)
PF16891
(STPPase_N)
4 TYR A 234
LEU A 181
ASP A 178
TYR A 275
None
0.87A 3rodD-5jpeA:
undetectable
3rodD-5jpeA:
24.33
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.
5jry NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE


(Burkholderia
multivorans)
PF00171
(Aldedh)
4 LEU A  37
ALA A  17
ASP A  20
TYR A   8
None
1.19A 3rodD-5jryA:
undetectable
3rodD-5jryA:
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.
5kiv PROTEIN-ADP-RIBOSE
HYDROLASE


(Staphylococcus
aureus)
PF01661
(Macro)
4 LEU A  65
ASP A  62
ALA A  63
TYR A  41
None
1.07A 3rodD-5kivA:
undetectable
3rodD-5kivA:
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.
5lxk DECORATION PROTEIN

(Escherichia
virus T5)
PF13895
(Ig_2)
4 TYR A 136
ASP A 117
ALA A 118
TYR A 123
None
1.07A 3rodD-5lxkA:
undetectable
3rodD-5lxkA:
15.09
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.
5mt2 BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron)
no annotation 4 LEU A 320
ASP A 319
ALA A 318
TYR A  38
None
1.21A 3rodD-5mt2A:
undetectable
3rodD-5mt2A:
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.
5nfq EPOXIDE HYDROLASE
BELONGING TO
ALPHA/BETA HYDROLASE
SUPERFAMILY
METAGENOMIC FROM
TOMSK SAMPLE


(metagenome)
no annotation 4 TYR A 209
ASP A 179
ALA A 251
TYR A 150
None
0.88A 3rodD-5nfqA:
undetectable
3rodD-5nfqA:
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.
5nnp N-TERMINAL
ACETYLTRANSFERASE-LI
KE PROTEIN


(Chaetomium
thermophilum)
PF12569
(NARP1)
PF13432
(TPR_16)
4 TYR A 566
LEU A 647
ALA A 649
ASP A 641
None
1.16A 3rodD-5nnpA:
undetectable
3rodD-5nnpA:
17.03
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.
5uus POSSIBLE
SORTASE-LIKE PROTEIN


(Corynebacterium
diphtheriae)
PF04203
(Sortase)
4 LEU A 218
ASP A 227
ALA A 226
TYR A 198
None
1.19A 3rodD-5uusA:
undetectable
3rodD-5uusA:
20.35
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.
5vhi 26S PROTEASOME
NON-ATPASE
REGULATORY SUBUNIT 8


(Homo sapiens)
PF00004
(AAA)
4 ASP d  53
ALA d  51
TYR d  81
TYR d  82
None
1.14A 3rodD-5vhid:
undetectable
3rodD-5vhid:
21.05
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.
5voc ENVELOPE
GLYCOPROTEIN H


(Human
betaherpesvirus
5)
PF02489
(Herpes_glycop_H)
PF17488
(Herpes_glycoH_C)
4 LEU A 298
ASP A 299
ALA A 300
TYR A 320
None
1.19A 3rodD-5vocA:
undetectable
3rodD-5vocA:
19.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x45 PROTEASE 2A

(Rhinovirus C)
no annotation 4 LEU A  28
ASP A  38
ALA A  12
TYR A  14
None
1.07A 3rodD-5x45A:
undetectable
3rodD-5x45A:
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.
5xgo DNA PROTECTION
DURING STARVATION
PROTEIN,BACTERIOFERR
ITIN


(Escherichia
coli)
no annotation 4 LEU A  73
ASP A 154
ALA A 151
TYR A 125
None
0.86A 3rodD-5xgoA:
undetectable
3rodD-5xgoA:
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.
5xya -

(-)
no annotation 4 LEU A1056
ASP A1103
ALA A1099
TYR A1055
None
1.12A 3rodD-5xyaA:
undetectable
3rodD-5xyaA:
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.
5xyi RIBOSOMAL PROTEIN
S3AE, PUTATIVE
40S RIBOSOMAL
PROTEIN S26


(Trichomonas
vaginalis;
Trichomonas
vaginalis)
PF01015
(Ribosomal_S3Ae)
PF00318
(Ribosomal_S2)
4 LEU B  74
ASP B  73
ALA B  68
TYR a  59
None
1.09A 3rodD-5xyiB:
undetectable
3rodD-5xyiB:
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.
5ysb LIN1841 PROTEIN

(Listeria
innocua)
no annotation 4 LEU A 333
ASP A 348
ALA A 345
TYR A 357
None
0.99A 3rodD-5ysbA:
undetectable
3rodD-5ysbA:
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.
5z43 AMBP1

(Fischerella
ambigua)
no annotation 4 LEU A 152
ASP A 153
ALA A 154
TYR A 183
None
1.10A 3rodD-5z43A:
undetectable
3rodD-5z43A:
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.
5zal ENDORIBONUCLEASE
DICER


(Homo sapiens)
no annotation 4 LEU A 358
ASP A 319
ALA A 318
TYR A 267
None
1.21A 3rodD-5zalA:
undetectable
3rodD-5zalA:
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.
6fd7 -

(-)
no annotation 4 LEU A 136
ASP A 154
ALA A 152
TYR A 156
None
1.17A 3rodD-6fd7A:
undetectable
3rodD-6fd7A:
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.
6h20 -

(-)
no annotation 4 ASP A 181
ALA A 182
ASP A 273
TYR A 276
None
None
None
ASN  A 401 ( 4.9A)
1.16A 3rodD-6h20A:
undetectable
3rodD-6h20A:
undetectable