SIMILAR PATTERNS OF AMINO ACIDS FOR 5ND3_B_TA1B601

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.
1ak0 P1 NUCLEASE

(Penicillium
citrinum)
PF02265
(S1-P1_nuclease)
5 GLU A  46
HIS A 164
LEU A   4
ALA A   3
SER A  42
None
1.26A 5nd3B-1ak0A:
undetectable
5nd3B-1ak0A:
20.04
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.
1dcq PYK2-ASSOCIATED
PROTEIN BETA


(Mus musculus)
PF01412
(ArfGap)
PF12796
(Ank_2)
5 VAL A 382
LEU A 442
LEU A 417
ALA A 420
SER A 423
None
1.23A 5nd3B-1dcqA:
undetectable
5nd3B-1dcqA:
20.94
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.
1jr1 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2


(Cricetulus
griseus)
PF00478
(IMPDH)
PF00571
(CBS)
5 LEU A 377
ALA A 381
SER A 351
THR A  52
PRO A 360
None
1.22A 5nd3B-1jr1A:
undetectable
5nd3B-1jr1A:
23.19
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.
1k85 CHITINASE A1

(Bacillus
circulans)
PF00041
(fn3)
5 VAL A 589
LEU A 600
ALA A 626
SER A 583
THR A 602
None
1.27A 5nd3B-1k85A:
undetectable
5nd3B-1k85A:
13.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kbl PYRUVATE PHOSPHATE
DIKINASE


([Clostridium]
symbiosum)
PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C)
5 ASP A 355
GLU A 356
LEU A 373
ALA A 350
ARG A 259
None
1.23A 5nd3B-1kblA:
2.0
5nd3B-1kblA:
20.31
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.
1kbl PYRUVATE PHOSPHATE
DIKINASE


([Clostridium]
symbiosum)
PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C)
5 ASP A 355
GLU A 356
LEU A 376
ALA A 350
ARG A 259
None
1.26A 5nd3B-1kblA:
2.0
5nd3B-1kblA:
20.31
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.
1kbl PYRUVATE PHOSPHATE
DIKINASE


([Clostridium]
symbiosum)
PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C)
5 VAL A 354
ASP A 355
GLU A 356
LEU A 373
ARG A 259
None
1.17A 5nd3B-1kblA:
2.0
5nd3B-1kblA:
20.31
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.
1kbl PYRUVATE PHOSPHATE
DIKINASE


([Clostridium]
symbiosum)
PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C)
5 VAL A 354
ASP A 355
GLU A 356
LEU A 864
ARG A 259
None
1.26A 5nd3B-1kblA:
2.0
5nd3B-1kblA:
20.31
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.
1m64 FLAVOCYTOCHROME C3

(Shewanella
frigidimarina)
PF00890
(FAD_binding_2)
PF14537
(Cytochrom_c3_2)
5 VAL A 220
ASP A 221
HIS A 245
ALA A 174
THR A 186
None
1.13A 5nd3B-1m64A:
undetectable
5nd3B-1m64A:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1px5 2'-5'-OLIGOADENYLATE
SYNTHETASE 1


(Sus scrofa)
PF01909
(NTP_transf_2)
PF10421
(OAS1_C)
5 VAL A  78
ASP A  76
LEU A 172
ALA A 151
ARG A  94
None
0.76A 5nd3B-1px5A:
undetectable
5nd3B-1px5A:
22.71
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.
1q51 MENB

(Mycobacterium
tuberculosis)
PF00378
(ECH_1)
5 ASP A  81
LEU A  34
HIS A  75
ALA A  76
THR A  38
None
1.24A 5nd3B-1q51A:
undetectable
5nd3B-1q51A:
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.
1vkz PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE


(Thermotoga
maritima)
PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N)
5 HIS A 365
LEU A 364
ALA A 347
THR A 393
ARG A 395
None
1.00A 5nd3B-1vkzA:
undetectable
5nd3B-1vkzA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c0h MANNAN
ENDO-1,4-BETA-MANNOS
IDASE


(Mytilus edulis)
PF00150
(Cellulase)
5 VAL A  96
GLU A  89
LEU A 156
ALA A 155
THR A 124
None
1.18A 5nd3B-2c0hA:
3.2
5nd3B-2c0hA:
23.08
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.
2db0 253AA LONG
HYPOTHETICAL PROTEIN


(Pyrococcus
horikoshii)
PF02985
(HEAT)
5 VAL A  33
GLU A  31
LEU A  24
ALA A  27
ARG A  63
None
1.15A 5nd3B-2db0A:
undetectable
5nd3B-2db0A:
19.38
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.
2ghp U4/U6
SNRNA-ASSOCIATED
SPLICING FACTOR
PRP24


(Saccharomyces
cerevisiae)
PF00076
(RRM_1)
5 VAL A 165
ASP A 164
LEU A 178
ARG A 268
ARG A 134
None
1.26A 5nd3B-2ghpA:
undetectable
5nd3B-2ghpA:
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.
2gju 252AA LONG
HYPOTHETICAL PROTEIN


(Pyrococcus
horikoshii)
no annotation 5 VAL A  53
GLU A  52
LEU A  99
LEU A  46
ARG A 232
None
None
PO4  A3005 (-4.5A)
None
None
1.14A 5nd3B-2gjuA:
undetectable
5nd3B-2gjuA:
19.24
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.
2gwn DIHYDROOROTASE

(Porphyromonas
gingivalis)
PF01979
(Amidohydro_1)
5 GLU A 263
LEU A 148
ALA A 179
THR A 102
ARG A 112
None
KCX  A 149 ( 3.7A)
KCX  A 149 ( 4.4A)
None
None
1.22A 5nd3B-2gwnA:
1.8
5nd3B-2gwnA:
20.37
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.
2hun 336AA LONG
HYPOTHETICAL
DTDP-GLUCOSE
4,6-DEHYDRATASE


(Pyrococcus
horikoshii)
PF16363
(GDP_Man_Dehyd)
5 VAL A  63
HIS A  81
LEU A  82
ALA A  83
THR A 127
NAD  A 801 (-3.7A)
None
NAD  A 801 (-4.3A)
NAD  A 801 (-3.5A)
NAD  A 801 (-4.2A)
1.12A 5nd3B-2hunA:
5.4
5nd3B-2hunA:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2isq CYSTEINE SYNTHASE

(Arabidopsis
thaliana)
PF00291
(PALP)
5 VAL A 205
GLU A 242
LEU A  21
ALA A 276
ARG A 283
None
1.11A 5nd3B-2isqA:
undetectable
5nd3B-2isqA:
21.54
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.
2jg7 ANTIQUITIN

(Acanthopagrus
schlegelii)
PF00171
(Aldedh)
5 VAL A 159
ASP A 239
LEU A 209
ALA A 179
PRO A 155
None
1.23A 5nd3B-2jg7A:
undetectable
5nd3B-2jg7A:
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.
2ogi HYPOTHETICAL PROTEIN
SAG1661


(Streptococcus
agalactiae)
PF01966
(HD)
5 VAL A 131
ASP A 135
LEU A  14
LEU A  53
ALA A  54
None
FE  A 301 ( 2.5A)
None
None
None
1.26A 5nd3B-2ogiA:
undetectable
5nd3B-2ogiA:
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.
2qcv PUTATIVE
5-DEHYDRO-2-DEOXYGLU
CONOKINASE


(Bacillus
halodurans)
PF00294
(PfkB)
5 VAL A 157
LEU A 123
ALA A 147
THR A  98
PRO A  46
None
1.26A 5nd3B-2qcvA:
6.6
5nd3B-2qcvA:
20.70
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.
2vk2 ABC TRANSPORTER
PERIPLASMIC-BINDING
PROTEIN YTFQ


(Escherichia
coli)
PF13407
(Peripla_BP_4)
5 VAL A  55
LEU A  88
LEU A  76
ALA A  79
THR A 103
None
1.20A 5nd3B-2vk2A:
2.5
5nd3B-2vk2A:
21.18
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.
2vvg KINESIN-2

(Giardia
intestinalis)
PF00225
(Kinesin)
5 LEU A 237
HIS A 123
LEU A 124
ALA A 127
SER A 130
None
0.87A 5nd3B-2vvgA:
undetectable
5nd3B-2vvgA:
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.
2vwq GLUCOSE
DEHYDROGENASE


(Haloferax
mediterranei)
PF08240
(ADH_N)
PF16912
(Glu_dehyd_C)
5 VAL A 299
LEU A 192
LEU A 159
ALA A 162
SER A 165
None
1.15A 5nd3B-2vwqA:
undetectable
5nd3B-2vwqA:
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.
2wnb -

(Sus scrofa)
PF00777
(Glyco_transf_29)
5 VAL A 242
GLU A 200
LEU A 217
LEU A 209
THR A 215
None
1.26A 5nd3B-2wnbA:
undetectable
5nd3B-2wnbA:
20.65
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.
2wsx L-CARNITINE/GAMMA-BU
TYROBETAINE
ANTIPORTER


(Escherichia
coli)
PF02028
(BCCT)
5 VAL A 352
LEU A 297
LEU A 145
ALA A 148
SER A 151
None
1.11A 5nd3B-2wsxA:
undetectable
5nd3B-2wsxA:
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.
2wvl MANNOSYL-3-PHOSPHOGL
YCERATE SYNTHASE


(Thermus
thermophilus)
PF09488
(Osmo_MPGsynth)
5 VAL A 176
GLU A 251
LEU A  99
LEU A  73
ARG A  65
None
ZN  A1393 (-2.4A)
None
None
None
1.19A 5nd3B-2wvlA:
undetectable
5nd3B-2wvlA:
21.46
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.
2x1c ACYL-COENZYME

(Penicillium
chrysogenum)
PF03417
(AAT)
5 ASP A 199
LEU A 185
ALA A 188
SER A 191
PRO A 194
None
1.18A 5nd3B-2x1cA:
undetectable
5nd3B-2x1cA:
23.32
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.
2z3t CYTOCHROME P450

(Streptomyces
sp. TP-A0274)
PF00067
(p450)
5 LEU A 113
HIS A 250
LEU A 251
ALA A 254
THR A 114
None
HEM  A 500 ( 4.8A)
None
HEM  A 500 ( 3.4A)
None
1.16A 5nd3B-2z3tA:
undetectable
5nd3B-2z3tA:
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.
2zwv PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE


(Thermus
thermophilus)
PF05175
(MTS)
5 GLU A  73
LEU A   3
ALA A  77
SER A  75
ARG A  28
None
1.19A 5nd3B-2zwvA:
2.4
5nd3B-2zwvA:
23.33
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.
3a1n NDP-SUGAR EPIMERASE

(Thermoplasma
volcanium)
PF01370
(Epimerase)
5 VAL A  48
HIS A  68
LEU A  69
ALA A  70
THR A 112
NAD  A3001 (-4.2A)
None
NAD  A3001 (-4.6A)
NAD  A3001 (-3.3A)
NAD  A3001 ( 4.5A)
1.19A 5nd3B-3a1nA:
5.7
5nd3B-3a1nA:
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.
3a5v ALPHA-GALACTOSIDASE

(Umbelopsis
vinacea)
PF16499
(Melibiase_2)
5 VAL A 293
ASP A 296
LEU A 313
ALA A 263
PRO A 301
1PG  A 851 ( 4.5A)
1PG  A 851 (-4.3A)
None
None
None
1.03A 5nd3B-3a5vA:
undetectable
5nd3B-3a5vA:
20.41
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.
3euo TYPE III PENTAKETIDE
SYNTHASE


(Neurospora
crassa)
PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C)
5 LEU A 282
ALA A 303
SER A 329
THR A 278
ARG A 160
None
1.18A 5nd3B-3euoA:
undetectable
5nd3B-3euoA:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fwt MACROPHAGE MIGRATION
INHIBITORY
FACTOR-LIKE PROTEIN


(Leishmania
major)
PF01187
(MIF)
5 GLU A  29
LEU A  19
ALA A  22
THR A  85
ARG A  79
None
1.18A 5nd3B-3fwtA:
undetectable
5nd3B-3fwtA:
12.39
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.
3hkz DNA-DIRECTED RNA
POLYMERASE SUBUNIT
A'
DNA-DIRECTED RNA
POLYMERASE SUBUNIT B


(Sulfolobus
solfataricus)
PF00562
(RNA_pol_Rpb2_6)
PF00623
(RNA_pol_Rpb1_2)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4)
5 VAL B 940
ASP B 941
LEU A 648
ARG B 881
PRO B 656
None
0.96A 5nd3B-3hkzB:
undetectable
5nd3B-3hkzB:
16.00
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.
3ic6 PUTATIVE METHYLASE
FAMILY PROTEIN


(Neisseria
gonorrhoeae)
PF00588
(SpoU_methylase)
5 VAL A  93
GLU A  91
LEU A 151
LEU A  96
ALA A  99
None
1.18A 5nd3B-3ic6A:
undetectable
5nd3B-3ic6A:
20.22
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.
3j9d OUTER CAPSID PROTEIN
VP2


(Bluetongue
virus)
PF00898
(Orbi_VP2)
5 HIS A 658
LEU A 631
ALA A 656
THR A 625
ARG A 563
None
1.27A 5nd3B-3j9dA:
undetectable
5nd3B-3j9dA:
19.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k5h PHOSPHORIBOSYL-AMINO
IMIDAZOLE
CARBOXYLASE


(Aspergillus
clavatus)
PF01262
(AlaDh_PNT_C)
PF02222
(ATP-grasp)
5 LEU A 170
LEU A 145
ALA A 180
THR A 128
ARG A 122
None
1.22A 5nd3B-3k5hA:
undetectable
5nd3B-3k5hA:
22.73
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.
3khf MICROTUBULE-ASSOCIAT
ED
SERINE/THREONINE-PRO
TEIN KINASE 3


(Homo sapiens)
PF00595
(PDZ)
5 VAL A 979
LEU A1023
HIS A 981
LEU A 964
ALA A 966
None
1.20A 5nd3B-3khfA:
undetectable
5nd3B-3khfA:
14.05
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.
3m4a PUTATIVE TYPE I
TOPOISOMERASE


(Deinococcus
radiodurans)
PF01028
(Topoisom_I)
5 LEU A 195
LEU A 126
ALA A 125
ARG A 216
ARG A 121
None
1.27A 5nd3B-3m4aA:
undetectable
5nd3B-3m4aA:
23.40
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.
3n23 SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1


(Sus scrofa)
PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF13246
(Cation_ATPase)
5 VAL A 734
ASP A 733
ALA A 264
SER A 268
THR A 254
None
0.99A 5nd3B-3n23A:
2.1
5nd3B-3n23A:
17.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nyi FAT ACID-BINDING
PROTEIN


(Eubacterium
ventriosum)
PF02645
(DegV)
5 VAL A 272
LEU A  17
ALA A   9
THR A  23
PRO A  65
STE  A 301 ( 4.9A)
None
None
None
None
1.09A 5nd3B-3nyiA:
2.1
5nd3B-3nyiA:
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.
3pvl MYOSIN VIIA ISOFORM
1


(Mus musculus)
PF00784
(MyTH4)
5 GLU A1248
LEU A1212
LEU A1231
SER A1276
ARG A1240
None
1.15A 5nd3B-3pvlA:
undetectable
5nd3B-3pvlA:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qk8 ENOYL-COA HYDRATASE
ECHA15


(Mycobacterium
marinum)
PF00378
(ECH_1)
5 VAL A  33
LEU A 235
HIS A  38
ALA A 117
ARG A  85
None
None
UNL  A 291 ( 4.0A)
UNL  A 291 ( 3.3A)
None
1.08A 5nd3B-3qk8A:
undetectable
5nd3B-3qk8A:
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.
3qk8 ENOYL-COA HYDRATASE
ECHA15


(Mycobacterium
marinum)
PF00378
(ECH_1)
5 VAL A  33
LEU A 235
HIS A  38
SER A  67
ARG A  85
None
None
UNL  A 291 ( 4.0A)
None
None
1.17A 5nd3B-3qk8A:
undetectable
5nd3B-3qk8A:
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.
3rd8 FUMARATE HYDRATASE
CLASS II


(Mycolicibacterium
smegmatis)
PF00206
(Lyase_1)
PF10415
(FumaraseC_C)
5 GLU A 306
ALA A 400
THR A 408
ARG A 463
ARG A 183
None
1.24A 5nd3B-3rd8A:
undetectable
5nd3B-3rd8A:
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.
3s4w FANCONI ANEMIA GROUP
D2 PROTEIN HOMOLOG


(Mus musculus)
PF14631
(FancD2)
5 VAL B 694
LEU B 762
LEU B 681
ALA B 680
PRO B 670
None
1.04A 5nd3B-3s4wB:
undetectable
5nd3B-3s4wB:
15.67
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.
3t3o METAL DEPENDENT
HYDROLASE


(Thermus
thermophilus)
PF07521
(RMMBL)
PF12706
(Lactamase_B_2)
5 GLU A 292
LEU A 304
ALA A 262
ARG A 266
ARG A 286
None
1.13A 5nd3B-3t3oA:
undetectable
5nd3B-3t3oA:
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.
3tbh O-ACETYL SERINE
SULFHYDRYLASE


(Leishmania
donovani)
PF00291
(PALP)
5 VAL A 210
GLU A 247
LEU A  27
ALA A 281
ARG A 288
None
1.27A 5nd3B-3tbhA:
undetectable
5nd3B-3tbhA:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tbh O-ACETYL SERINE
SULFHYDRYLASE


(Leishmania
donovani)
PF00291
(PALP)
5 VAL A 210
GLU A 247
LEU A  39
ALA A 281
ARG A 288
None
1.19A 5nd3B-3tbhA:
undetectable
5nd3B-3tbhA:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3umm PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE


(Salmonella
enterica)
PF02769
(AIRS_C)
PF13507
(GATase_5)
5 VAL A1099
GLU A 476
LEU A 106
ALA A  91
ARG A  57
None
1.25A 5nd3B-3ummA:
undetectable
5nd3B-3ummA:
15.63
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.
3v4o MUCOSA-ASSOCIATED
LYMPHOID TISSUE
LYMPHOMA
TRANSLOCATION
PROTEIN 1


(Homo sapiens)
PF00656
(Peptidase_C14)
5 GLU A 500
LEU A 372
LEU A 515
THR A 370
PRO A 362
None
1.16A 5nd3B-3v4oA:
3.3
5nd3B-3v4oA:
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.
3vps NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E


(Streptomyces
chartreusis)
PF01370
(Epimerase)
5 VAL A  59
HIS A  75
LEU A  76
ALA A  77
THR A 119
NAD  A 401 (-4.1A)
None
NAD  A 401 (-4.2A)
NAD  A 401 (-3.6A)
UD1  A 400 (-3.0A)
1.10A 5nd3B-3vpsA:
6.4
5nd3B-3vpsA:
23.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wt0 CELL DIVISION
PROTEIN FTSA


(Staphylococcus
aureus)
PF02491
(SHS2_FTSA)
PF14450
(FtsA)
5 VAL A 211
ASP A 210
GLU A 229
LEU A  76
SER A 227
ATP  A 400 (-4.0A)
None
None
None
None
1.19A 5nd3B-3wt0A:
undetectable
5nd3B-3wt0A:
22.96
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.
4cca SYNTAXIN-BINDING
PROTEIN 2


(Homo sapiens)
PF00995
(Sec1)
5 ASP A 255
GLU A 246
LEU A 444
ALA A 543
SER A 545
None
1.24A 5nd3B-4ccaA:
undetectable
5nd3B-4ccaA:
22.80
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.
4cke MRNA-CAPPING ENZYME
REGULATORY SUBUNIT


(Vaccinia virus)
PF03341
(Pox_mRNA-cap)
5 ASP B 192
HIS B 260
LEU B 263
SER B 188
THR B  58
None
1.09A 5nd3B-4ckeB:
undetectable
5nd3B-4ckeB:
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.
4ecn LEUCINE-RICH REPEAT
PROTEIN


(Bacteroides
thetaiotaomicron)
PF14660
(DUF4458)
5 VAL A 677
ASP A 678
LEU A 758
ALA A 703
THR A 759
None
1.26A 5nd3B-4ecnA:
undetectable
5nd3B-4ecnA:
19.73
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.
4eyo EXTRACELLULAR
LIGAND-BINDING
RECEPTOR


(Rhodopseudomonas
palustris)
PF13458
(Peripla_BP_6)
5 VAL A 161
ASP A 215
LEU A 373
LEU A 149
THR A 375
None
1.20A 5nd3B-4eyoA:
undetectable
5nd3B-4eyoA:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fqd NIKO PROTEIN

(Streptomyces
tendae)
PF00275
(EPSP_synthase)
5 VAL A 147
ASP A 146
LEU A 200
ALA A 199
THR A 242
None
1.24A 5nd3B-4fqdA:
undetectable
5nd3B-4fqdA:
22.39
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.
4h53 NEURAMINIDASE

(Influenza A
virus)
PF00064
(Neur)
5 ASP A 406
GLU A 227
LEU A 159
SER A 180
THR A 138
SLB  A 512 ( 4.1A)
None
None
None
None
1.23A 5nd3B-4h53A:
undetectable
5nd3B-4h53A:
20.59
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.
4i1p MUCOSA-ASSOCIATED
LYMPHOID TISSUE
LYMPHOMA
TRANSLOCATION
PROTEIN 1


(Homo sapiens)
PF00656
(Peptidase_C14)
5 GLU A 500
LEU A 372
LEU A 515
THR A 370
PRO A 362
None
1.20A 5nd3B-4i1pA:
undetectable
5nd3B-4i1pA:
19.38
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.
4i8p AMINOALDEHYDE
DEHYDROGENASE 1


(Zea mays)
PF00171
(Aldedh)
5 VAL A 157
ASP A 234
LEU A 208
ALA A 177
PRO A 153
None
1.25A 5nd3B-4i8pA:
undetectable
5nd3B-4i8pA:
19.93
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.
4k22 PROTEIN VISC

(Escherichia
coli)
PF01494
(FAD_binding_3)
5 ASP A   5
LEU A 135
LEU A  32
ALA A  30
THR A 148
None
1.24A 5nd3B-4k22A:
undetectable
5nd3B-4k22A:
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.
4kws D-MANNONATE
DEHYDRATASE


(Chromohalobacter
salexigens)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
5 GLU A 131
LEU A 235
ALA A 199
ARG A 149
ARG A 203
None
1.05A 5nd3B-4kwsA:
2.3
5nd3B-4kwsA:
22.25
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.
4lk3 UDP-GLUCURONIC ACID
DECARBOXYLASE 1


(Homo sapiens)
PF16363
(GDP_Man_Dehyd)
5 VAL A 145
HIS A 158
LEU A 159
ALA A 160
THR A 202
NAD  A 501 (-3.6A)
None
NAD  A 501 (-4.4A)
NAD  A 501 (-3.9A)
NAD  A 501 (-4.0A)
1.13A 5nd3B-4lk3A:
undetectable
5nd3B-4lk3A:
18.86
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.
4lma CYSTEINE SYNTHASE

(Microcystis
aeruginosa)
PF00291
(PALP)
5 VAL A 205
GLU A 242
LEU A  19
ALA A 276
ARG A 283
None
1.09A 5nd3B-4lmaA:
undetectable
5nd3B-4lmaA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lmb CYSTEINE SYNTHASE

(Microcystis
aeruginosa)
PF00291
(PALP)
5 VAL A 205
GLU A 242
LEU A  19
ALA A 276
ARG A 283
None
1.06A 5nd3B-4lmbA:
undetectable
5nd3B-4lmbA:
22.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lmb CYSTEINE SYNTHASE

(Microcystis
aeruginosa)
PF00291
(PALP)
5 VAL A 205
GLU A 242
LEU A 274
ALA A 276
ARG A 283
None
1.02A 5nd3B-4lmbA:
undetectable
5nd3B-4lmbA:
22.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q2c CRISPR-ASSOCIATED
HELICASE CAS3


(Thermobaculum
terrenum)
PF00271
(Helicase_C)
5 VAL A 317
GLU A 316
LEU A 296
LEU A 339
ALA A 314
None
1.20A 5nd3B-4q2cA:
undetectable
5nd3B-4q2cA:
18.43
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.
4tuf MAJOR EXTRACELLULAR
ENDOGLUCANASE


(Xanthomonas
campestris)
PF00150
(Cellulase)
5 ASP A 134
GLU A 303
LEU A 249
LEU A 258
ALA A 259
None
1.15A 5nd3B-4tufA:
undetectable
5nd3B-4tufA:
20.53
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.
4uul L-LACTATE
DEHYDROGENASE


(Trichomonas
vaginalis)
PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C)
5 GLU A 323
LEU A 331
ALA A 327
THR A 111
PRO A 131
None
1.21A 5nd3B-4uulA:
5.6
5nd3B-4uulA:
21.81
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.
4w6q GLUCOSYLTRANSFERASE

(Streptococcus
agalactiae)
no annotation 5 VAL A 126
ASP A 125
LEU A 319
ALA A 323
THR A  25
None
1.13A 5nd3B-4w6qA:
undetectable
5nd3B-4w6qA:
21.89
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.
4wis LIPID SCRAMBLASE

([Nectria]
haematococca)
PF04547
(Anoctamin)
5 VAL A 500
ASP A 499
LEU A 565
SER A 184
THR A 563
None
1.14A 5nd3B-4wisA:
undetectable
5nd3B-4wisA:
20.38
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.
5af7 ACYL-COA
DEHYDROGENASE


(Advenella
mimigardefordensis)
PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
5 VAL A  87
ASP A  88
LEU A 372
ALA A 250
THR A 368
None
GOL  A 510 ( 4.6A)
None
None
FAD  A 410 (-2.8A)
1.13A 5nd3B-5af7A:
undetectable
5nd3B-5af7A:
22.58
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.
5b01 MOEN5

(Streptomyces
viridosporus)
no annotation 5 ASP A  10
LEU A  68
LEU A  32
ALA A  30
ARG A  90
None
1.24A 5nd3B-5b01A:
undetectable
5nd3B-5b01A:
19.23
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.
5csl ACETYL-COA
CARBOXYLASE


(Saccharomyces
cerevisiae)
PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF01039
(Carboxyl_trans)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2)
PF08326
(ACC_central)
5 VAL A2003
ASP A2004
LEU A1950
ALA A1951
ARG A2125
None
1.14A 5nd3B-5cslA:
3.3
5nd3B-5cslA:
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.
5dgt BENZOYLFORMATE
DECARBOXYLASE


(Pseudomonas
putida)
PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
5 VAL A 211
ASP A 210
LEU A 197
LEU A 223
ALA A 322
None
1.28A 5nd3B-5dgtA:
2.4
5nd3B-5dgtA:
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.
5k9o HEMAGGLUTININ

(Influenza A
virus)
PF00509
(Hemagglutinin)
5 GLU F  89
LEU F  71
ALA F  67
ARG F 229
ARG F 109
None
1.24A 5nd3B-5k9oF:
undetectable
5nd3B-5k9oF:
20.71
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.
5lb3 ATP-DEPENDENT DNA
HELICASE Q5


(Homo sapiens)
PF00270
(DEAD)
PF00271
(Helicase_C)
PF16124
(RecQ_Zn_bind)
5 VAL B 203
ASP B 202
LEU B 191
ALA B 159
THR B  54
None
None
None
None
ADP  B 502 (-4.1A)
1.24A 5nd3B-5lb3B:
undetectable
5nd3B-5lb3B:
20.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mjs TUBULIN BETA CHAIN

(Schizosaccharomyces
pombe)
no annotation 6 ASP A  26
GLU A  27
LEU A 215
HIS A 227
ARG A 317
PRO A 357
None
1.16A 5nd3B-5mjsA:
55.5
5nd3B-5mjsA:
59.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mjs TUBULIN BETA CHAIN

(Schizosaccharomyces
pombe)
no annotation 6 ASP A  26
GLU A  27
LEU A 215
HIS A 227
LEU A 228
PRO A 357
None
1.02A 5nd3B-5mjsA:
55.5
5nd3B-5mjsA:
59.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mjs TUBULIN BETA CHAIN

(Schizosaccharomyces
pombe)
no annotation 6 ASP A  26
GLU A  27
LEU A 215
LEU A 228
ALA A 231
PRO A 357
None
1.16A 5nd3B-5mjsA:
55.5
5nd3B-5mjsA:
59.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n5n TUBULIN BETA CHAIN

(Homo sapiens)
no annotation 8 VAL B  23
ASP B  26
GLU B  27
LEU B 217
HIS B 229
LEU B 230
THR B 276
ARG B 320
None
1.25A 5nd3B-5n5nB:
55.8
5nd3B-5n5nB:
97.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n5n TUBULIN BETA CHAIN

(Homo sapiens)
no annotation 8 VAL B  23
ASP B  26
GLU B  27
LEU B 217
HIS B 229
SER B 236
THR B 276
ARG B 320
None
1.23A 5nd3B-5n5nB:
55.8
5nd3B-5n5nB:
97.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n5n TUBULIN BETA CHAIN

(Homo sapiens)
no annotation 9 VAL B  23
GLU B  27
LEU B 217
HIS B 229
ALA B 233
SER B 236
THR B 276
ARG B 320
PRO B 360
None
1.04A 5nd3B-5n5nB:
55.8
5nd3B-5n5nB:
97.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n5n TUBULIN BETA CHAIN

(Homo sapiens)
no annotation 9 VAL B  23
GLU B  27
LEU B 217
HIS B 229
LEU B 230
ALA B 233
THR B 276
ARG B 320
PRO B 360
None
1.05A 5nd3B-5n5nB:
55.8
5nd3B-5n5nB:
97.89
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.
5o9h C5A ANAPHYLATOXIN
CHEMOTACTIC RECEPTOR
1


(Homo sapiens)
no annotation 5 VAL A  58
LEU A 127
ALA A  79
THR A 129
ARG A 134
None
None
None
9P2  A 401 (-4.4A)
None
1.22A 5nd3B-5o9hA:
undetectable
5nd3B-5o9hA:
11.42
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.
5tr1 CHLORIDE CHANNEL
PROTEIN


(Bos taurus)
PF00654
(Voltage_CLC)
5 GLU A 490
LEU A  56
ALA A 210
THR A  54
ARG A 238
None
None
None
None
Y01  A 701 (-4.1A)
0.99A 5nd3B-5tr1A:
undetectable
5nd3B-5tr1A:
20.70
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.
5tr1 CHLORIDE CHANNEL
PROTEIN


(Bos taurus)
PF00654
(Voltage_CLC)
5 GLU A 490
LEU A  56
THR A  54
ARG A 238
PRO A 216
None
None
None
Y01  A 701 (-4.1A)
None
1.15A 5nd3B-5tr1A:
undetectable
5nd3B-5tr1A:
20.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w3f TUBULIN ALPHA-1
CHAIN


(Saccharomyces
cerevisiae)
PF00091
(Tubulin)
PF03953
(Tubulin_C)
6 GLU A  27
LEU A 218
LEU A 231
SER A 237
ARG A 321
PRO A 361
None
1.19A 5nd3B-5w3fA:
55.3
5nd3B-5w3fA:
42.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w3j TUBULIN BETA CHAIN

(Saccharomyces
cerevisiae)
PF00091
(Tubulin)
PF03953
(Tubulin_C)
7 VAL B  23
ASP B  26
GLU B  27
LEU B 215
LEU B 228
THR B 274
ARG B 318
TA1  B 502 (-3.9A)
TA1  B 502 (-4.1A)
TA1  B 502 (-3.6A)
None
None
TA1  B 502 (-4.7A)
None
1.19A 5nd3B-5w3jB:
56.2
5nd3B-5w3jB:
75.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w3j TUBULIN BETA CHAIN

(Saccharomyces
cerevisiae)
PF00091
(Tubulin)
PF03953
(Tubulin_C)
7 VAL B  23
ASP B  26
GLU B  27
LEU B 215
SER B 234
ARG B 318
PRO B 358
TA1  B 502 (-3.9A)
TA1  B 502 (-4.1A)
TA1  B 502 (-3.6A)
None
TA1  B 502 ( 4.9A)
None
None
1.17A 5nd3B-5w3jB:
56.2
5nd3B-5w3jB:
75.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w3j TUBULIN BETA CHAIN

(Saccharomyces
cerevisiae)
PF00091
(Tubulin)
PF03953
(Tubulin_C)
7 VAL B  23
ASP B  26
GLU B  27
LEU B 215
THR B 274
ARG B 318
PRO B 358
TA1  B 502 (-3.9A)
TA1  B 502 (-4.1A)
TA1  B 502 (-3.6A)
None
TA1  B 502 (-4.7A)
None
None
1.22A 5nd3B-5w3jB:
56.2
5nd3B-5w3jB:
75.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wql TAIL-SPECIFIC
PROTEASE


(Escherichia
coli)
no annotation 5 VAL C 469
LEU C 392
ALA C 458
ARG C 448
ARG C 513
None
1.28A 5nd3B-5wqlC:
2.0
5nd3B-5wqlC:
22.37
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.
5wyb PROBABLE ENOYL-COA
HYDRATASE/ISOMERASE


(Pseudomonas
aeruginosa)
no annotation 5 VAL B 195
ASP B 196
GLU B 137
LEU B 206
ALA B 203
None
None
None
None
ACT  B 302 ( 4.4A)
1.25A 5nd3B-5wybB:
undetectable
5nd3B-5wybB:
11.93
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.
5xtc NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
2
NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
4L


(Homo sapiens)
no annotation 5 GLU i  34
LEU k  26
LEU i  61
ALA i  64
SER i  67
None
1.23A 5nd3B-5xtci:
undetectable
5nd3B-5xtci:
21.18
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.
5y7o UGGT

(Thermomyces
dupontii)
PF06427
(UDP-g_GGTase)
5 LEU A  73
LEU A  49
ALA A  53
ARG A  67
ARG A 177
None
1.20A 5nd3B-5y7oA:
undetectable
5nd3B-5y7oA:
17.12
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.
5zbh NEUROPEPTIDE Y
RECEPTOR TYPE 1,T4
LYSOZYME,NEUROPEPTID
E Y RECEPTOR TYPE 1


(Escherichia
virus T4;
Homo sapiens)
no annotation 5 LEU A1014
LEU A1012
THR A1058
ARG A 241
PRO A 145
None
1.23A 5nd3B-5zbhA:
undetectable
5nd3B-5zbhA:
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.
6b2y SOLUTE-BINDING
PERIPLASMIC PROTEIN
OF IRON/SIDEROPHORE
ABC TRANSPORTER


(Yersinia pestis)
no annotation 5 VAL A   3
LEU A  27
LEU A 141
ALA A 144
PRO A 120
None
1.22A 5nd3B-6b2yA:
undetectable
5nd3B-6b2yA:
22.16