SIMILAR PATTERNS OF AMINO ACIDS FOR 5VEU_A_RITA602_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site

Query pattern: Residues from known binding site for annotated drug that match the hit pattern


(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism
Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1at3 HERPES SIMPLEX VIRUS
TYPE II PROTEASE


(Human
alphaherpesvirus
2)
PF00716
(Peptidase_S21)
5 ARG A 156
SER A 127
ILE A 161
ALA A 237
GLY A  33
None
1.14A 5veuA-1at3A:
0.0
5veuA-1at3A:
18.72
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.
1c8u ACYL-COA
THIOESTERASE II


(Escherichia
coli)
PF13622
(4HBT_3)
5 PHE A 235
ALA A 274
THR A 276
ALA A 202
GLY A  41
None
1.12A 5veuA-1c8uA:
0.0
5veuA-1c8uA:
20.91
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.
1eyy ALDEHYDE
DEHYDROGENASE


(Vibrio harveyi)
PF00171
(Aldedh)
5 LEU A  65
ILE A  72
ALA A  76
THR A  80
GLY A 144
None
0.88A 5veuA-1eyyA:
0.0
5veuA-1eyyA:
22.32
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.
1k9a CARBOXYL-TERMINAL
SRC KINASE


(Rattus
norvegicus)
PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr)
5 ARG A 318
ILE A 201
ALA A 220
THR A 266
GLY A 334
None
1.09A 5veuA-1k9aA:
0.0
5veuA-1k9aA:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1p9b ADENYLOSUCCINATE
SYNTHETASE


(Plasmodium
falciparum)
PF00709
(Adenylsucc_synt)
5 SER A 258
PHE A 240
THR A 247
ALA A 231
GLY A  21
None
None
IMO  A1601 (-3.7A)
IMO  A1601 (-4.2A)
None
1.09A 5veuA-1p9bA:
0.0
5veuA-1p9bA:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r66 TDP-GLUCOSE-4,6-DEHY
DRATASE


(Streptomyces
venezuelae)
PF16363
(GDP_Man_Dehyd)
5 LEU A 231
PHE A  83
PHE A  16
THR A 107
ALA A 114
None
1.13A 5veuA-1r66A:
0.0
5veuA-1r66A:
19.18
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.
1t5j HYPOTHETICAL PROTEIN
MJ1187


(Methanocaldococcus
jannaschii)
PF03747
(ADP_ribosyl_GH)
5 ILE A  80
PHE A  83
ALA A  84
ALA A 105
GLY A 123
None
0.94A 5veuA-1t5jA:
0.0
5veuA-1t5jA:
22.11
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.
1w8j MYOSIN VA

(Gallus gallus)
PF00063
(Myosin_head)
5 PHE A  93
PHE A 673
ILE A 662
ALA A 109
GLY A  70
None
1.05A 5veuA-1w8jA:
0.4
5veuA-1w8jA:
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.
1xg2 PECTINESTERASE
INHIBITOR


(Actinidia
chinensis)
PF04043
(PMEI)
5 ARG B  13
LEU B  17
ILE B  43
ALA B 104
GLY B 110
None
1.11A 5veuA-1xg2B:
undetectable
5veuA-1xg2B:
15.03
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.
1xp8 RECA PROTEIN

(Deinococcus
radiodurans)
PF00154
(RecA)
5 LEU A 138
PHE A 203
ILE A 105
ALA A 103
GLY A  71
None
0.94A 5veuA-1xp8A:
0.0
5veuA-1xp8A:
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.
1zbs HYPOTHETICAL PROTEIN
PG1100


(Porphyromonas
gingivalis)
PF01869
(BcrAD_BadFG)
5 LEU A 261
ILE A 112
ALA A 113
ALA A 245
GLY A 145
None
1.11A 5veuA-1zbsA:
undetectable
5veuA-1zbsA:
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.
2dfs MYOSIN-5A

(Gallus gallus)
PF00063
(Myosin_head)
PF00612
(IQ)
5 PHE A  93
PHE A 673
ILE A 662
ALA A 109
GLY A  70
None
1.02A 5veuA-2dfsA:
undetectable
5veuA-2dfsA:
18.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e11 HYDROLASE

(Xanthomonas
campestris)
PF00795
(CN_hydrolase)
5 ARG A 179
PHE A 171
PHE A 113
ALA A 218
ALA A 214
None
None
CAC  A1266 (-3.6A)
None
None
1.04A 5veuA-2e11A:
undetectable
5veuA-2e11A:
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.
2f07 YVDT

(Bacillus
subtilis)
PF00440
(TetR_N)
5 LEU A  13
PHE A  48
ILE A  33
ALA A  28
GLY A 108
None
1.11A 5veuA-2f07A:
undetectable
5veuA-2f07A:
18.40
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.
2gl5 PUTATIVE DEHYDRATASE
PROTEIN


(Salmonella
enterica)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
5 ARG A 275
ILE A 310
ALA A 314
THR A 319
ALA A 271
None
1.13A 5veuA-2gl5A:
undetectable
5veuA-2gl5A:
21.73
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.
2go4 UDP-3-O-[3-HYDROXYMY
RISTOYL]
N-ACETYLGLUCOSAMINE
DEACETYLASE


(Aquifex
aeolicus)
PF03331
(LpxC)
5 LEU A 229
PHE A 167
PHE A 194
ALA A 193
GLY A 159
None
None
None
TUX  A 901 ( 3.9A)
None
1.00A 5veuA-2go4A:
undetectable
5veuA-2go4A:
20.25
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.
2ox4 PUTATIVE MANDELATE
RACEMASE


(Zymomonas
mobilis)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
5 LEU A  60
PHE A 100
ILE A   6
ALA A  49
GLY A 290
None
1.13A 5veuA-2ox4A:
undetectable
5veuA-2ox4A:
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.
2ptz ENOLASE

(Trypanosoma
brucei)
PF00113
(Enolase_C)
PF03952
(Enolase_N)
5 SER A 113
ILE A 350
ALA A 353
THR A 323
ALA A  46
None
1.09A 5veuA-2ptzA:
undetectable
5veuA-2ptzA:
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.
2q27 OXALYL-COA
DECARBOXYLASE


(Escherichia
coli)
PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
5 ARG A 414
LEU A 383
ILE A 530
ALA A 433
GLY A 426
None
1.08A 5veuA-2q27A:
undetectable
5veuA-2q27A:
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.
2q2v BETA-D-HYDROXYBUTYRA
TE DEHYDROGENASE


(Pseudomonas
putida)
PF00106
(adh_short)
5 ARG A 133
ILE A 137
ALA A 138
ALA A 245
GLY A 167
None
1.11A 5veuA-2q2vA:
undetectable
5veuA-2q2vA:
19.05
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.
2qw8 EUGENOL SYNTHASE 1

(Ocimum
basilicum)
PF05368
(NmrA)
5 PHE A 266
PHE A 125
PHE A 314
ALA A 313
ALA A 310
None
NO3  A 902 (-4.9A)
PEG  A 901 (-4.8A)
NAP  A 401 ( 4.1A)
None
1.03A 5veuA-2qw8A:
undetectable
5veuA-2qw8A:
21.69
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.
2reb REC A

(Escherichia
coli)
PF00154
(RecA)
5 LEU A 126
PHE A 191
ILE A  93
ALA A  91
GLY A  59
None
1.04A 5veuA-2rebA:
undetectable
5veuA-2rebA:
22.27
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.
2vob TRYPANOTHIONE
SYNTHETASE


(Leishmania
major)
PF03738
(GSP_synth)
PF05257
(CHAP)
5 LEU A 516
PHE A 287
ILE A 529
ALA A 332
GLY A 599
None
0.79A 5veuA-2vobA:
undetectable
5veuA-2vobA:
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.
2w4g MYOSIN HEAVY CHAIN,
SKELETAL MUSCLE,
ADULT
MYOSIN LIGHT CHAIN
3, SKELETAL MUSCLE
ISOFORM


(Gallus gallus)
PF00063
(Myosin_head)
PF02736
(Myosin_N)
no annotation
5 LEU M 775
PHE C  87
ILE M 786
ALA M 729
ALA M 743
None
1.13A 5veuA-2w4gM:
undetectable
5veuA-2w4gM:
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.
2w8z 6-PHOSPHOGLUCONATE
DEHYDROGENASE,
DECARBOXYLATING


(Geobacillus
stearothermophilus)
PF00393
(6PGD)
PF03446
(NAD_binding_2)
5 LEU A 388
PHE A 361
PHE A 371
ALA A 425
GLY A 187
None
1.11A 5veuA-2w8zA:
undetectable
5veuA-2w8zA:
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.
2wuq BETA-LACTAMASE
REGULATORY PROTEIN
BLAB


(Streptomyces
cacaoi)
PF13354
(Beta-lactamase2)
5 LEU A 219
PHE A 135
ALA A  54
THR A 106
GLY A 266
None
1.04A 5veuA-2wuqA:
undetectable
5veuA-2wuqA:
21.27
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.
2xvg ALPHA XYLOSIDASE

(Cellvibrio
japonicus)
PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110)
5 PHE A 276
PHE A 377
THR A 270
ALA A 250
GLY A 256
None
1.12A 5veuA-2xvgA:
undetectable
5veuA-2xvgA:
20.19
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.
2yfn ALPHA-GALACTOSIDASE-
SUCROSE KINASE AGASK


([Ruminococcus]
gnavus)
PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N)
5 PHE A 450
ILE A 417
ALA A 431
ALA A 484
GLY A 222
None
None
None
GOL  A1721 (-4.1A)
None
1.07A 5veuA-2yfnA:
undetectable
5veuA-2yfnA:
20.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b5m UNCHARACTERIZED
PROTEIN


(Rhodopirellula
baltica)
PF04289
(DUF447)
5 ARG A 187
ILE A 159
ALA A 147
ALA A  69
GLY A  74
None
0.83A 5veuA-3b5mA:
undetectable
5veuA-3b5mA:
17.11
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.
3b8z PROTEIN ADAMTS-5

(Homo sapiens)
PF01421
(Reprolysin)
5 LEU A 271
PHE A 341
ALA A 275
ALA A 404
GLY A 380
None
None
None
None
294  A 801 (-3.5A)
1.02A 5veuA-3b8zA:
undetectable
5veuA-3b8zA:
18.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cmt PROTEIN RECA

(Escherichia
coli)
PF00154
(RecA)
5 LEU A 126
PHE A 191
ILE A  93
ALA A  91
GLY A  59
None
1.04A 5veuA-3cmtA:
undetectable
5veuA-3cmtA:
13.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cmt PROTEIN RECA

(Escherichia
coli)
PF00154
(RecA)
5 LEU A1126
PHE A1191
ILE A1093
ALA A1091
GLY A1059
None
1.04A 5veuA-3cmtA:
undetectable
5veuA-3cmtA:
13.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cmt PROTEIN RECA

(Escherichia
coli)
PF00154
(RecA)
5 LEU A2126
PHE A2191
ILE A2093
ALA A2091
GLY A2059
None
1.04A 5veuA-3cmtA:
undetectable
5veuA-3cmtA:
13.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cmt PROTEIN RECA

(Escherichia
coli)
PF00154
(RecA)
5 LEU A3126
PHE A3191
ILE A3093
ALA A3091
GLY A3059
None
1.04A 5veuA-3cmtA:
undetectable
5veuA-3cmtA:
13.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cmt PROTEIN RECA

(Escherichia
coli)
PF00154
(RecA)
5 LEU A4126
PHE A4191
ILE A4093
ALA A4091
GLY A4059
None
1.04A 5veuA-3cmtA:
undetectable
5veuA-3cmtA:
13.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cmu PROTEIN RECA

(Escherichia
coli)
PF00154
(RecA)
5 LEU A 126
PHE A 191
ILE A  93
ALA A  91
GLY A  59
None
1.02A 5veuA-3cmuA:
undetectable
5veuA-3cmuA:
12.43
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.
3cmu PROTEIN RECA

(Escherichia
coli)
PF00154
(RecA)
5 LEU A1126
PHE A1191
ILE A1093
ALA A1091
GLY A1059
None
1.02A 5veuA-3cmuA:
undetectable
5veuA-3cmuA:
12.43
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.
3cmu PROTEIN RECA

(Escherichia
coli)
PF00154
(RecA)
5 LEU A2126
PHE A2191
ILE A2093
ALA A2091
GLY A2059
None
1.02A 5veuA-3cmuA:
undetectable
5veuA-3cmuA:
12.43
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.
3cmu PROTEIN RECA

(Escherichia
coli)
PF00154
(RecA)
5 LEU A3126
PHE A3191
ILE A3093
ALA A3091
GLY A3059
None
1.02A 5veuA-3cmuA:
undetectable
5veuA-3cmuA:
12.43
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.
3cmu PROTEIN RECA

(Escherichia
coli)
PF00154
(RecA)
5 LEU A4126
PHE A4191
ILE A4093
ALA A4091
GLY A4059
None
1.02A 5veuA-3cmuA:
undetectable
5veuA-3cmuA:
12.43
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.
3cmu PROTEIN RECA

(Escherichia
coli)
PF00154
(RecA)
5 LEU A5126
PHE A5191
ILE A5093
ALA A5091
GLY A5059
None
1.03A 5veuA-3cmuA:
undetectable
5veuA-3cmuA:
12.43
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.
3cmv PROTEIN RECA

(Escherichia
coli)
PF00154
(RecA)
5 LEU A 126
PHE A 191
ILE A  93
ALA A  91
GLY A  59
None
1.02A 5veuA-3cmvA:
undetectable
5veuA-3cmvA:
16.31
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.
3cmv PROTEIN RECA

(Escherichia
coli)
PF00154
(RecA)
5 LEU A2126
PHE A2191
ILE A2093
ALA A2091
GLY A2059
None
1.03A 5veuA-3cmvA:
undetectable
5veuA-3cmvA:
16.31
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.
3cmv PROTEIN RECA

(Escherichia
coli)
PF00154
(RecA)
5 LEU A3126
PHE A3191
ILE A3093
ALA A3091
GLY A3059
None
1.11A 5veuA-3cmvA:
undetectable
5veuA-3cmvA:
16.31
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.
3d7u TYROSINE-PROTEIN
KINASE CSK


(Homo sapiens)
PF07714
(Pkinase_Tyr)
5 ARG A 318
ILE A 201
ALA A 220
THR A 266
GLY A 334
None
1.09A 5veuA-3d7uA:
undetectable
5veuA-3d7uA:
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.
3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN


(Aeropyrum
pernix)
PF13458
(Peripla_BP_6)
5 LEU A  44
ILE A  46
ALA A 120
THR A 142
ALA A 364
None
1.07A 5veuA-3eafA:
undetectable
5veuA-3eafA:
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.
3gaf 7-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE


(Brucella
abortus)
PF13561
(adh_short_C2)
5 PHE A  31
PHE A  86
ALA A  26
ALA A  54
GLY A  60
None
0.84A 5veuA-3gafA:
undetectable
5veuA-3gafA:
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.
3hm4 CHEMOTAXIS PROTEIN
CHEX


(Desulfovibrio
alaskensis)
PF13690
(CheX)
5 ILE A 121
ALA A  47
THR A  95
ALA A 116
GLY A  57
None
None
None
UNL  A 156 (-3.1A)
None
1.10A 5veuA-3hm4A:
undetectable
5veuA-3hm4A:
16.18
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.
3hr8 PROTEIN RECA

(Thermotoga
maritima)
PF00154
(RecA)
5 LEU A 128
PHE A 193
ILE A  95
ALA A  93
GLY A  61
None
1.04A 5veuA-3hr8A:
undetectable
5veuA-3hr8A:
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.
3i1c DIISOPROPYL-FLUOROPH
OSPHATASE


(Loligo vulgaris)
PF08450
(SGL)
5 ILE A  74
ALA A  21
THR A 285
ALA A 242
GLY A 245
None
0.87A 5veuA-3i1cA:
undetectable
5veuA-3i1cA:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jcx FAB E LIGHT CHAIN

(Rattus
norvegicus)
PF07686
(V-set)
5 LEU L  45
PHE L  71
ALA L  82
ALA L  78
GLY L  14
None
1.10A 5veuA-3jcxL:
undetectable
5veuA-3jcxL:
11.03
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.
3ndo DEOXYRIBOSE-PHOSPHAT
E ALDOLASE


(Mycolicibacterium
smegmatis)
PF01791
(DeoC)
5 LEU A 205
ILE A 195
THR A  16
ALA A  41
GLY A  38
None
None
UNL  A 301 ( 3.3A)
None
None
1.13A 5veuA-3ndoA:
undetectable
5veuA-3ndoA:
19.54
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.
3niz RHODANESE FAMILY
PROTEIN


(Cryptosporidium
parvum)
PF00069
(Pkinase)
5 LEU A 252
PHE A 233
PHE A 258
ALA A 187
GLY A 222
None
1.09A 5veuA-3nizA:
undetectable
5veuA-3nizA:
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.
3pl2 SUGAR KINASE,
RIBOKINASE FAMILY


(Corynebacterium
glutamicum)
PF00294
(PfkB)
5 LEU A 158
PHE A 145
ILE A  13
ALA A  43
GLY A 200
None
1.01A 5veuA-3pl2A:
undetectable
5veuA-3pl2A:
22.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q58 N-ACETYLMANNOSAMINE-
6-PHOSPHATE
2-EPIMERASE


(Salmonella
enterica)
PF04131
(NanE)
5 LEU A   3
ILE A 101
THR A 205
ALA A  47
GLY A  15
PEG  A 241 (-4.2A)
None
None
None
None
1.04A 5veuA-3q58A:
undetectable
5veuA-3q58A:
18.58
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.
3r4q LACTOYLGLUTATHIONE
LYASE


(Agrobacterium
fabrum)
PF00903
(Glyoxalase)
5 LEU A  32
PHE A  82
ALA A  13
ALA A  16
GLY A 124
None
1.01A 5veuA-3r4qA:
undetectable
5veuA-3r4qA:
14.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ruy ORNITHINE
AMINOTRANSFERASE


(Bacillus
anthracis)
PF00202
(Aminotran_3)
5 LEU A  84
ALA A  92
THR A  95
ALA A 267
GLY A 254
None
None
None
None
LLP  A 255 ( 2.4A)
1.13A 5veuA-3ruyA:
undetectable
5veuA-3ruyA:
23.11
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.
3tox SHORT CHAIN
DEHYDROGENASE


(Sinorhizobium
meliloti)
PF13561
(adh_short_C2)
5 SER A 145
PHE A 153
ALA A 196
THR A 194
ALA A 222
NAP  A 601 (-3.3A)
None
NAP  A 601 (-3.2A)
NAP  A 601 (-2.8A)
None
1.11A 5veuA-3toxA:
undetectable
5veuA-3toxA:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u44 ATP-DEPENDENT
HELICASE/DEOXYRIBONU
CLEASE SUBUNIT B


(Bacillus
subtilis)
PF12705
(PDDEXK_1)
5 SER B 897
LEU B 900
ILE B 837
ALA B 863
GLY B 827
None
1.07A 5veuA-3u44B:
undetectable
5veuA-3u44B:
18.46
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.
3wst PROTEIN ARGININE
N-METHYLTRANSFERASE
7


(Caenorhabditis
elegans)
PF13649
(Methyltransf_25)
5 ARG A 522
LEU A  28
PHE A 513
ALA A 103
GLY A 504
None
1.13A 5veuA-3wstA:
undetectable
5veuA-3wstA:
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.
4akd MANNOSE-SPECIFIC
LECTIN KM+


(Artocarpus
integer)
PF01419
(Jacalin)
5 LEU A  77
PHE A 121
ALA A 149
THR A   5
GLY A   9
None
1.13A 5veuA-4akdA:
undetectable
5veuA-4akdA:
16.88
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.
4evw NUCLEOSIDE-DIPHOSPHA
TE-SUGAR
PYROPHOSPHORYLASE


(Vibrio cholerae)
no annotation 5 PHE A  62
ILE A 114
PHE A  51
ALA A  41
GLY A  71
None
0.99A 5veuA-4evwA:
undetectable
5veuA-4evwA:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ief GINGIPAIN R2
PRO-DOMAIN


(Porphyromonas
gingivalis)
PF08126
(Propeptide_C25)
5 PHE A  49
ILE A 151
PHE A 170
ALA A 152
ALA A 191
None
1.03A 5veuA-4iefA:
undetectable
5veuA-4iefA:
20.39
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.
4igi COLLAGEN ALPHA3(VI)

(Mus musculus)
PF00092
(VWA)
5 ARG A1093
LEU A1095
PHE A1077
ILE A1031
PHE A1029
None
1.09A 5veuA-4igiA:
undetectable
5veuA-4igiA:
18.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ij4 CHITINASE A

(Gemmabryum
coronatum)
PF00182
(Glyco_hydro_19)
6 SER A  62
PHE A  12
ILE A  58
ALA A 136
THR A 135
ALA A 126
None
1.26A 5veuA-4ij4A:
undetectable
5veuA-4ij4A:
17.23
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.
4kna N-SUCCINYLGLUTAMATE
5-SEMIALDEHYDE
DEHYDROGENASE


(Burkholderia
thailandensis)
PF00171
(Aldedh)
5 SER A  46
ILE A   6
PHE A   5
ALA A   9
GLY A 189
None
1.06A 5veuA-4knaA:
undetectable
5veuA-4knaA:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l0o CYSTATHIONINE
GAMMA-SYNTHASE


(Helicobacter
pylori)
no annotation 5 LEU H  84
PHE H  69
ILE H 188
ALA H 190
GLY H 228
None
1.02A 5veuA-4l0oH:
undetectable
5veuA-4l0oH:
24.07
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.
4nbt 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE


(Acholeplasma
laidlawii)
PF13561
(adh_short_C2)
5 PHE A 218
ILE A 232
ALA A 175
ALA A 161
GLY A 126
None
1.08A 5veuA-4nbtA:
undetectable
5veuA-4nbtA:
18.89
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.
4nnq PUTATIVE ENOYL-COA
HYDRATASE


(Streptomyces
atroolivaceus)
PF00378
(ECH_1)
5 LEU A  59
PHE A 100
ALA A  43
ALA A  36
GLY A  89
None
1.09A 5veuA-4nnqA:
undetectable
5veuA-4nnqA:
20.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ny4 CYTOCHROME P450 3A4

(Homo sapiens)
PF00067
(p450)
5 ARG A 106
ALA A 305
THR A 309
ALA A 370
GLY A 481
None
2QH  A 602 ( 3.6A)
2QH  A 602 ( 3.7A)
2QH  A 602 ( 3.1A)
None
0.86A 5veuA-4ny4A:
51.5
5veuA-4ny4A:
83.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ny4 CYTOCHROME P450 3A4

(Homo sapiens)
PF00067
(p450)
5 SER A 119
PHE A 213
ALA A 305
THR A 309
ALA A 370
2QH  A 602 (-3.9A)
2QH  A 602 (-4.2A)
2QH  A 602 ( 3.6A)
2QH  A 602 ( 3.7A)
2QH  A 602 ( 3.1A)
1.11A 5veuA-4ny4A:
51.5
5veuA-4ny4A:
83.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ny4 CYTOCHROME P450 3A4

(Homo sapiens)
PF00067
(p450)
6 SER A 119
PHE A 241
ILE A 301
ALA A 305
THR A 309
ALA A 370
2QH  A 602 (-3.9A)
2QH  A 602 (-4.5A)
None
2QH  A 602 ( 3.6A)
2QH  A 602 ( 3.7A)
2QH  A 602 ( 3.1A)
0.84A 5veuA-4ny4A:
51.5
5veuA-4ny4A:
83.30
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.
4oh1 L-IDITOL
2-DEHYDROGENASE


([Clostridium]
scindens)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
5 SER A 224
PHE A 270
ILE A 205
ALA A 213
GLY A 183
None
1.11A 5veuA-4oh1A:
undetectable
5veuA-4oh1A:
22.11
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.
4oqf PROTEIN RECA

(Mycobacterium
tuberculosis)
PF00154
(RecA)
5 LEU A 127
PHE A 192
ILE A  94
ALA A  92
GLY A  60
None
1.03A 5veuA-4oqfA:
undetectable
5veuA-4oqfA:
22.38
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.
4ru1 MONOSACCHARIDE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT2 FAMILY


(Acidothermus
cellulolyticus)
PF13407
(Peripla_BP_4)
5 SER A 292
LEU A 293
THR A 311
ALA A 308
GLY A 139
None
1.14A 5veuA-4ru1A:
undetectable
5veuA-4ru1A:
19.14
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.
4xgt FRQ-INTERACTING RNA
HELICASE


(Neurospora
crassa)
PF00270
(DEAD)
PF00271
(Helicase_C)
PF08148
(DSHCT)
PF13234
(rRNA_proc-arch)
5 LEU A 371
PHE A 440
ILE A 369
ALA A 575
GLY A 579
None
0.96A 5veuA-4xgtA:
1.9
5veuA-4xgtA:
18.03
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.
4ycz FUSION PROTEIN OF
SEC13 AND NUP145C


(Thermothelomyces
thermophila)
PF00400
(WD40)
PF12110
(Nup96)
5 ARG A 100
ILE A  44
ALA A  34
ALA A  80
GLY A  83
None
1.09A 5veuA-4yczA:
undetectable
5veuA-4yczA:
19.57
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.
4yzg PROTEIN PHOSPHATASE
2C 57


(Arabidopsis
thaliana)
PF00481
(PP2C)
5 ARG A 169
ILE A 291
ALA A 183
THR A 195
ALA A 176
None
1.10A 5veuA-4yzgA:
undetectable
5veuA-4yzgA:
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.
5e02 FRQ-INTERACTING RNA
HELICASE


(Neurospora
crassa)
PF00270
(DEAD)
PF00271
(Helicase_C)
PF08148
(DSHCT)
PF13234
(rRNA_proc-arch)
5 LEU A 371
PHE A 440
ILE A 369
ALA A 575
GLY A 579
None
1.03A 5veuA-5e02A:
1.6
5veuA-5e02A:
17.48
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.
5fi5 TETRAHYDROALSTONINE
SYNTHASE


(Catharanthus
roseus)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
5 ARG A 182
PHE A 202
ILE A 248
ALA A 195
ALA A 225
None
1.13A 5veuA-5fi5A:
undetectable
5veuA-5fi5A:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fku DNA POLYMERASE III
SUBUNIT ALPHA


(Escherichia
coli)
PF01336
(tRNA_anti-codon)
PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6)
5 PHE A 347
PHE A 406
ILE A 415
ALA A 419
ALA A 518
None
1.06A 5veuA-5fkuA:
undetectable
5veuA-5fkuA:
17.31
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.
5gpl PUTATIVE NUCLEOSOME
ASSEMBLY PROTEIN
C36B7.08C


(Schizosaccharomyces
pombe)
PF00956
(NAP)
5 LEU A  96
PHE A 161
ILE A  94
ALA A 186
ALA A 193
None
1.12A 5veuA-5gplA:
undetectable
5veuA-5gplA:
20.08
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.
5h42 UNCHARACTERIZED
PROTEIN


(Lachnoclostridium
phytofermentans)
PF17167
(Glyco_hydro_36)
5 ARG A 398
SER A 535
ILE A 521
PHE A 523
GLY A  47
None
1.12A 5veuA-5h42A:
undetectable
5veuA-5h42A:
18.71
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.
5hc4 LIPOLYTIC ENZYME

(uncultured
bacterium)
PF07859
(Abhydrolase_3)
5 PHE A 280
ILE A 337
ALA A 185
THR A 194
GLY A 293
None
1.10A 5veuA-5hc4A:
undetectable
5veuA-5hc4A:
22.29
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.
5hmp UNCONVENTIONAL
MYOSIN-VC


(Homo sapiens)
PF00063
(Myosin_head)
5 PHE A  91
PHE A 661
ILE A 650
ALA A 107
GLY A  68
None
0.91A 5veuA-5hmpA:
undetectable
5veuA-5hmpA:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jrj PROTEIN RECA

(Herbaspirillum
seropedicae)
PF00154
(RecA)
5 LEU A 133
PHE A 198
ILE A 100
ALA A  98
GLY A  66
None
1.00A 5veuA-5jrjA:
undetectable
5veuA-5jrjA:
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.
5kgn 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE


(Caenorhabditis
elegans)
PF01676
(Metalloenzyme)
PF06415
(iPGM_N)
5 LEU A 313
ILE A 278
ALA A 138
ALA A 226
GLY A 233
None
1.14A 5veuA-5kgnA:
undetectable
5veuA-5kgnA:
23.64
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.
5mb4 GLCNAC SPECIFIC
LECTIN


(Psathyrella)
PF13517
(VCBS)
5 LEU A 377
ALA A 396
THR A  13
ALA A 350
GLY A 346
None
1.05A 5veuA-5mb4A:
undetectable
5veuA-5mb4A:
22.42
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.
5n9x ADENYLATION DOMAIN

(Streptomyces
sp.)
PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
5 SER A 114
ILE A 164
ALA A  94
ALA A 118
GLY A 121
None
1.00A 5veuA-5n9xA:
undetectable
5veuA-5n9xA:
23.34
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.
5v36 GLUTATHIONE
REDUCTASE


(Streptococcus
mutans)
PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2)
5 SER A 191
PHE A 160
ILE A 166
ALA A 165
GLY A 154
None
None
EPE  A 526 (-4.5A)
None
None
1.11A 5veuA-5v36A:
undetectable
5veuA-5v36A:
22.26
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.
5yy8 INFLUENZA VIRUS
NS1A-BINDING PROTEIN


(Homo sapiens)
no annotation 5 ILE A 294
ALA A 288
THR A  49
ALA A 285
GLY A 237
None
1.11A 5veuA-5yy8A:
undetectable
5veuA-5yy8A:
8.96
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.
6brk DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1


(Mus musculus)
no annotation 5 LEU A 206
ILE A 367
PHE A 366
ALA A 370
GLY A 339
None
1.02A 5veuA-6brkA:
undetectable
5veuA-6brkA:
10.11
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.
6d0n CLC-TYPE
FLUORIDE/PROTON
ANTIPORTER


(Enterococcus
casseliflavus)
no annotation 5 ILE A 366
ALA A 362
THR A 359
ALA A 356
GLY A 230
None
1.03A 5veuA-6d0nA:
1.9
5veuA-6d0nA:
11.62
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.
6e85 -

(-)
no annotation 5 ARG A  45
ILE A  20
ALA A 121
ALA A  95
GLY A  89
None
1.06A 5veuA-6e85A:
undetectable
5veuA-6e85A:
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.
6etz BETA-GALACTOSIDASE

(Arthrobacter
sp. 32cB)
no annotation 5 LEU A 756
PHE A1002
ILE A 748
ALA A 926
GLY A 939
None
1.13A 5veuA-6etzA:
undetectable
5veuA-6etzA:
9.34
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.
6g72 NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT 8


(Mus musculus)
no annotation 5 ARG X 118
PHE X  96
ILE X  73
PHE X  70
ALA X  33
None
1.08A 5veuA-6g72X:
undetectable
5veuA-6g72X:
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.
6gne -

(-)
no annotation 5 LEU A 341
PHE A 458
ILE A 406
THR A 417
GLY A 434
None
None
None
ADP  A 601 (-3.7A)
None
1.06A 5veuA-6gneA:
undetectable
5veuA-6gneA:
undetectable