SIMILAR PATTERNS OF AMINO ACIDS FOR 4MUB_A_OAQA302_0

List of similar pattern of amino acids derived from ASSAM search

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

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


(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism
Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1c30 CARBAMOYL PHOSPHATE
SYNTHETASE: LARGE
SUBUNIT


(Escherichia
coli)
PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3)
5 PRO A  17
PHE A  26
VAL A  19
GLY A 245
MET A 174
None
None
None
None
PO4  A4005 (-4.1A)
1.33A 4mubA-1c30A:
undetectable
4mubA-1c30A:
12.54
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.
1ciy CRYIA(A)

(Bacillus
thuringiensis)
PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N)
5 PRO A 450
LEU A 383
GLY A 356
PHE A 388
THR A 386
None
1.44A 4mubA-1ciyA:
undetectable
4mubA-1ciyA:
16.75
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.
1cvr GINGIPAIN R

(Porphyromonas
gingivalis)
PF01364
(Peptidase_C25)
PF03785
(Peptidase_C25_C)
5 PRO A 237
PHE A 256
VAL A 206
GLY A 210
THR A 219
None
None
None
H37  A 501 (-3.5A)
None
1.46A 4mubA-1cvrA:
undetectable
4mubA-1cvrA:
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.
1gve AFLATOXIN B1
ALDEHYDE REDUCTASE
MEMBER 3


(Rattus
norvegicus)
PF00248
(Aldo_ket_red)
5 PHE A 311
LEU A 317
GLY A 199
MET A 259
THR A 202
None
None
NAP  A1328 (-3.2A)
None
NAP  A1328 ( 4.0A)
1.14A 4mubA-1gveA:
undetectable
4mubA-1gveA:
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.
1h39 SQUALENE--HOPENE
CYCLASE


(Alicyclobacillus
acidocaldarius)
PF13243
(SQHop_cyclase_C)
PF13249
(SQHop_cyclase_N)
5 PRO A 429
HIS A 431
VAL A 440
GLY A 603
ASP A 604
None
None
R03  A 800 ( 4.9A)
None
None
1.40A 4mubA-1h39A:
undetectable
4mubA-1h39A:
17.88
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.
1ktc ALPHA-N-ACETYLGALACT
OSAMINIDASE


(Gallus gallus)
PF16499
(Melibiase_2)
PF17450
(Melibiase_2_C)
5 PRO A 263
MET A 237
LEU A 265
GLY A 141
ASP A 140
None
None
None
None
NGA  A 870 (-3.0A)
1.40A 4mubA-1ktcA:
undetectable
4mubA-1ktcA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t5j HYPOTHETICAL PROTEIN
MJ1187


(Methanocaldococcus
jannaschii)
PF03747
(ADP_ribosyl_GH)
5 PRO A  96
LEU A  54
GLY A 220
ASP A 253
THR A  60
None
None
None
MG  A 500 (-3.3A)
MG  A 500 (-3.9A)
1.29A 4mubA-1t5jA:
undetectable
4mubA-1t5jA:
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.
1taq TAQ DNA POLYMERASE

(Thermus
aquaticus)
PF00476
(DNA_pol_A)
PF01367
(5_3_exonuc)
PF02739
(5_3_exonuc_N)
PF09281
(Taq-exonuc)
5 HIS A 639
VAL A 631
GLY A 624
ASP A 625
PHE A 700
None
1.30A 4mubA-1taqA:
undetectable
4mubA-1taqA:
13.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1td2 PYRIDOXAMINE KINASE

(Escherichia
coli)
PF08543
(Phos_pyr_kin)
5 PRO A 176
LEU A 137
VAL A 179
GLY A 223
THR A 226
None
1.39A 4mubA-1td2A:
undetectable
4mubA-1td2A:
22.88
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.
1txk GLUCANS BIOSYNTHESIS
PROTEIN G


(Escherichia
coli)
PF04349
(MdoG)
5 PHE A 220
LEU A 203
VAL A 149
GLY A 153
PHE A 133
None
1.34A 4mubA-1txkA:
undetectable
4mubA-1txkA:
18.29
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.
1vcj NEURAMINIDASE

(Influenza B
virus)
PF00064
(Neur)
5 PRO A 267
MET A 239
VAL A 303
GLY A 351
THR A 274
None
1.35A 4mubA-1vcjA:
undetectable
4mubA-1vcjA:
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.
1woi AGMATINASE

(Deinococcus
radiodurans)
PF00491
(Arginase)
5 MET A 294
LEU A  75
VAL A  31
GLY A  84
ASP A  82
None
1.44A 4mubA-1woiA:
undetectable
4mubA-1woiA:
18.96
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.
1x3d FIBRONECTIN TYPE-III
DOMAIN CONTAINING
PROTEIN 3A


(Homo sapiens)
PF00041
(fn3)
5 PRO A  23
VAL A 105
GLY A  58
ASP A  56
PHE A  64
None
1.30A 4mubA-1x3dA:
undetectable
4mubA-1x3dA:
17.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2abq FRUCTOSE 1-PHOSPHATE
KINASE


(Bacillus
halodurans)
PF00294
(PfkB)
5 PRO A 136
LEU A   7
GLY A 248
ASP A 249
THR A   6
None
1.38A 4mubA-2abqA:
1.9
4mubA-2abqA:
21.08
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.
2c1u DI-HAEM CYTOCHROME C
PEROXIDASE


(Paracoccus
pantotrophus)
PF00034
(Cytochrom_C)
PF03150
(CCP_MauG)
5 LEU A 264
VAL A 286
GLY A 245
PHE A 274
THR A 244
HEC  A 402 (-4.8A)
HEC  A 402 ( 4.2A)
None
HEC  A 402 (-4.3A)
None
1.36A 4mubA-2c1uA:
undetectable
4mubA-2c1uA:
21.33
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.
2gp6 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2


(Mycobacterium
tuberculosis)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
5 HIS A 307
GLY A 318
ASP A 319
PHE A 230
THR A 371
None
1.41A 4mubA-2gp6A:
undetectable
4mubA-2gp6A:
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.
2h6e D-ARABINOSE
1-DEHYDROGENASE


(Sulfolobus
solfataricus)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
5 LEU A 190
VAL A 176
GLY A 247
THR A 186
THR A 251
None
1.39A 4mubA-2h6eA:
undetectable
4mubA-2h6eA:
22.59
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.
2hdn ELONGATION FACTOR
EF-TU


(Escherichia
coli)
PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2)
5 PHE B 322
LEU B 311
GLY B 339
THR B 382
MET B 358
None
1.25A 4mubA-2hdnB:
undetectable
4mubA-2hdnB:
20.29
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.
2i5b PHOSPHOMETHYLPYRIMID
INE KINASE


(Bacillus
subtilis)
PF08543
(Phos_pyr_kin)
5 LEU A 226
VAL A 105
GLY A  19
ASP A  23
PHE A  27
None
1.36A 4mubA-2i5bA:
2.1
4mubA-2i5bA:
24.76
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.
2jgd 2-OXOGLUTARATE
DEHYDROGENASE E1
COMPONENT


(Escherichia
coli)
PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF16870
(OxoGdeHyase_C)
5 MET A 238
LEU A 235
VAL A 270
GLY A 247
THR A 307
None
1.43A 4mubA-2jgdA:
undetectable
4mubA-2jgdA:
14.82
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.
2nzu CATABOLITE CONTROL
PROTEIN


(Bacillus
megaterium)
PF13377
(Peripla_BP_3)
5 MET G 112
LEU G 109
VAL G 142
MET G 309
THR G 306
None
1.34A 4mubA-2nzuG:
undetectable
4mubA-2nzuG:
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.
2og7 ASPARAGINE OXYGENASE

(Streptomyces
coelicolor)
PF02668
(TauD)
5 PRO A 236
LEU A 229
VAL A 188
GLY A 288
THR A 185
None
1.45A 4mubA-2og7A:
undetectable
4mubA-2og7A:
21.21
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.
2ogj DIHYDROOROTASE

(Agrobacterium
fabrum)
PF01979
(Amidohydro_1)
5 LEU A 335
VAL A  74
GLY A 264
ASP A 262
THR A 290
None
1.45A 4mubA-2ogjA:
undetectable
4mubA-2ogjA:
20.40
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.
2qy6 UPF0209 PROTEIN YFCK

(Escherichia
coli)
PF05430
(Methyltransf_30)
5 HIS A 134
LEU A 140
GLY A 199
ASP A 198
THR A  95
None
1.42A 4mubA-2qy6A:
undetectable
4mubA-2qy6A:
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.
2w35 ENDONUCLEASE V

(Thermotoga
maritima)
PF04493
(Endonuclease_5)
5 PRO A  47
LEU A  53
GLY A 111
ASP A 110
THR A 217
None
None
None
MG  A1224 (-3.2A)
None
1.44A 4mubA-2w35A:
undetectable
4mubA-2w35A:
20.98
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.
2wab ENDOGLUCANASE E

(Ruminiclostridium
thermocellum)
PF00657
(Lipase_GDSL)
5 PHE A 236
LEU A 269
VAL A 260
GLY A 129
ASP A 130
None
1.46A 4mubA-2wabA:
2.1
4mubA-2wabA:
21.88
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.
2xfs ORF12

(Streptomyces
clavuligerus)
PF13354
(Beta-lactamase2)
5 PRO A 208
LEU A 207
GLY A 218
ASP A 217
THR A 219
None
1.42A 4mubA-2xfsA:
undetectable
4mubA-2xfsA:
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.
2y24 XYLANASE

(Dickeya
chrysanthemi)
PF02055
(Glyco_hydro_30)
PF17189
(Glyco_hydro_30C)
5 PRO A 115
LEU A 131
GLY A 228
PHE A 182
THR A 252
None
0.89A 4mubA-2y24A:
undetectable
4mubA-2y24A:
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.
2y24 XYLANASE

(Dickeya
chrysanthemi)
PF02055
(Glyco_hydro_30)
PF17189
(Glyco_hydro_30C)
5 PRO A 115
LEU A 131
GLY A 229
PHE A 182
THR A 252
None
1.40A 4mubA-2y24A:
undetectable
4mubA-2y24A:
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.
2yzw ADP-RIBOSYLGLYCOHYDR
OLASE


(Thermus
thermophilus)
PF03747
(ADP_ribosyl_GH)
5 HIS A 159
LEU A 165
GLY A 116
ASP A 117
MET A  80
None
1.27A 4mubA-2yzwA:
undetectable
4mubA-2yzwA:
18.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z8z LIPASE

(Pseudomonas sp.
MIS38)
PF00353
(HemolysinCabind)
5 HIS A 517
VAL A 557
GLY A 541
ASP A 543
PHE A 527
ZN  A 630 (-3.2A)
None
CA  A 626 (-4.5A)
CA  A 626 (-2.2A)
None
1.39A 4mubA-2z8zA:
undetectable
4mubA-2z8zA:
16.24
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.
3aeh HEMOGLOBIN-BINDING
PROTEASE HBP
AUTOTRANSPORTER


(Escherichia
coli)
PF03797
(Autotransporter)
5 PRO A1278
LEU A1255
GLY A1127
ASP A1135
THR A1365
None
1.43A 4mubA-3aehA:
undetectable
4mubA-3aehA:
22.57
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.
3aib GLUCOSYLTRANSFERASE-
SI


(Streptococcus
mutans)
PF02324
(Glyco_hydro_70)
5 PHE A1071
VAL A1085
PHE A 259
THR A 254
THR A 298
None
1.22A 4mubA-3aibA:
undetectable
4mubA-3aibA:
14.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cos ALCOHOL
DEHYDROGENASE 4


(Homo sapiens)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
5 HIS A  69
PHE A 147
VAL A 300
PHE A  58
THR A  52
ZN  A 501 ( 3.3A)
ACY  A 401 (-4.3A)
NAD  A 400 ( 4.2A)
None
None
1.43A 4mubA-3cosA:
undetectable
4mubA-3cosA:
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.
3cq5 HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE


(Corynebacterium
glutamicum)
PF00155
(Aminotran_1_2)
5 LEU A  32
VAL A 291
GLY A 299
PHE A 312
THR A 343
None
1.31A 4mubA-3cq5A:
undetectable
4mubA-3cq5A:
20.26
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.
3fz0 NUCLEOSIDE
HYDROLASE, PUTATIVE


(Trypanosoma
brucei)
PF01156
(IU_nuc_hydro)
5 PHE A 178
LEU A 134
VAL A  37
GLY A  14
ASP A  16
BTB  A 401 (-3.9A)
None
None
None
CA  A 400 (-2.3A)
1.44A 4mubA-3fz0A:
undetectable
4mubA-3fz0A:
20.26
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.
3h55 ALPHA-N-ACETYLGALACT
OSAMINIDASE


(Homo sapiens)
PF16499
(Melibiase_2)
PF17450
(Melibiase_2_C)
5 PRO A 279
MET A 253
LEU A 281
GLY A 157
ASP A 156
None
None
None
None
GLA  A1000 (-3.4A)
1.42A 4mubA-3h55A:
undetectable
4mubA-3h55A:
18.39
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.
3hbj FLAVONOID
3-O-GLUCOSYLTRANSFER
ASE


(Medicago
truncatula)
PF00201
(UDPGT)
5 HIS A 228
LEU A 153
VAL A 178
ASP A 189
THR A 154
None
1.28A 4mubA-3hbjA:
1.9
4mubA-3hbjA:
22.20
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.
3i32 HEAT RESISTANT RNA
DEPENDENT ATPASE


(Thermus
thermophilus)
PF00271
(Helicase_C)
5 PHE A 284
LEU A 258
VAL A 243
GLY A 336
THR A 329
None
1.32A 4mubA-3i32A:
undetectable
4mubA-3i32A:
20.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ib6 UNCHARACTERIZED
PROTEIN


(Listeria
monocytogenes)
PF13419
(HAD_2)
5 PHE A  79
LEU A 109
GLY A  10
THR A 105
THR A  12
None
1.42A 4mubA-3ib6A:
undetectable
4mubA-3ib6A:
20.54
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.
3ix9 DIHYDROFOLATE
REDUCTASE


(Streptococcus
pneumoniae)
PF00186
(DHFR_1)
5 LEU A  39
GLY A  46
THR A  38
MET A  53
THR A  49
None
NDP  A 193 (-3.4A)
None
MTX  A 200 ( 4.4A)
NDP  A 193 (-3.4A)
1.38A 4mubA-3ix9A:
undetectable
4mubA-3ix9A:
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.
3ktn CARBOHYDRATE KINASE,
PFKB FAMILY


(Enterococcus
faecalis)
PF00294
(PfkB)
5 HIS A 309
LEU A 307
GLY A  33
THR A 318
THR A  34
None
1.44A 4mubA-3ktnA:
1.1
4mubA-3ktnA:
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.
3mmp ELONGATION FACTOR TU
2, ELONGATION FACTOR
TS


(Escherichia
coli)
PF00009
(GTP_EFTU)
PF00889
(EF_TS)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2)
5 PHE A1322
LEU A1311
GLY A1339
THR A1382
MET A1358
None
1.24A 4mubA-3mmpA:
undetectable
4mubA-3mmpA:
17.72
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.
3n6r PROPIONYL-COA
CARBOXYLASE, ALPHA
SUBUNIT


(Ruegeria
pomeroyi)
PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2)
5 LEU A 517
VAL A 525
GLY A 609
THR A 629
MET A 590
None
1.45A 4mubA-3n6rA:
undetectable
4mubA-3n6rA:
16.79
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.
3oyt 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE I


(Yersinia pestis)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
5 PHE A 318
LEU A 311
VAL A 298
GLY A 262
MET A 387
None
1.29A 4mubA-3oytA:
undetectable
4mubA-3oytA:
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.
3pzs PYRIDOXAMINE KINASE

(Yersinia pestis)
PF08543
(Phos_pyr_kin)
5 PRO A 175
LEU A 136
VAL A 178
GLY A 222
THR A 225
None
None
None
SO4  A 288 (-3.4A)
None
1.42A 4mubA-3pzsA:
undetectable
4mubA-3pzsA:
22.78
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.
3tk1 MEMBRANE
ATPASE/PROTEIN
KINASE


(Mycolicibacterium
thermoresistibile)
PF03308
(ArgK)
5 LEU A 181
VAL A 195
GLY A  56
THR A 173
THR A 168
None
1.40A 4mubA-3tk1A:
3.6
4mubA-3tk1A:
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.
3tqi GMP SYNTHASE
[GLUTAMINE-HYDROLYZI
NG]


(Coxiella
burnetii)
PF00117
(GATase)
PF00958
(GMP_synt_C)
PF02540
(NAD_synthase)
5 LEU A 116
GLY A 190
PHE A 122
THR A 157
THR A 187
None
1.40A 4mubA-3tqiA:
2.0
4mubA-3tqiA:
19.47
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.
3uqe 6-PHOSPHOFRUCTOKINAS
E ISOZYME 2


(Escherichia
coli)
PF00294
(PfkB)
5 PRO A 141
LEU A   9
GLY A 253
ASP A 256
THR A   8
None
None
ATP  A 401 ( 4.1A)
None
None
1.31A 4mubA-3uqeA:
undetectable
4mubA-3uqeA:
19.51
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.
3uqe 6-PHOSPHOFRUCTOKINAS
E ISOZYME 2


(Escherichia
coli)
PF00294
(PfkB)
5 PRO A 141
LEU A   9
GLY A 255
ASP A 256
THR A   8
None
None
ATP  A 401 (-3.3A)
None
None
1.40A 4mubA-3uqeA:
undetectable
4mubA-3uqeA:
19.51
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.
3v65 LOW-DENSITY
LIPOPROTEIN
RECEPTOR-RELATED
PROTEIN 4


(Rattus
norvegicus)
PF00058
(Ldl_recept_b)
PF14670
(FXa_inhibition)
5 PRO B 455
LEU B 442
GLY B 609
ASP B 606
THR B 689
None
1.35A 4mubA-3v65B:
undetectable
4mubA-3v65B:
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.
3vys HYDROGENASE
EXPRESSION/FORMATION
PROTEIN HYPD


(Thermococcus
kodakarensis)
PF01924
(HypD)
5 VAL B  37
GLY B 360
PHE B 149
THR B 180
THR B 361
None
1.30A 4mubA-3vysB:
undetectable
4mubA-3vysB:
21.04
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.
4c5n PHOSPHOMETHYLPYRIMID
INE KINASE


(Staphylococcus
aureus)
PF08543
(Phos_pyr_kin)
5 LEU A 224
VAL A 103
GLY A  19
ASP A  23
PHE A  27
None
None
PXL  A 300 (-3.6A)
None
None
1.42A 4mubA-4c5nA:
1.8
4mubA-4c5nA:
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.
4c9m CYTOCHROME P450

(Novosphingobium
aromaticivorans)
PF00067
(p450)
5 HIS A 355
PHE A 358
LEU A 296
VAL A 375
GLY A 257
None
HEM  A1418 ( 4.3A)
None
None
HEM  A1418 (-3.6A)
1.33A 4mubA-4c9mA:
undetectable
4mubA-4c9mA:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cpn NEURAMINIDASE

(Influenza B
virus)
PF00064
(Neur)
5 PRO A 266
MET A 238
VAL A 302
GLY A 350
THR A 273
None
1.38A 4mubA-4cpnA:
undetectable
4mubA-4cpnA:
19.17
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.
4evq PUTATIVE ABC
TRANSPORTER SUBUNIT,
SUBSTRATE-BINDING
COMPONENT


(Rhodopseudomonas
palustris)
PF13458
(Peripla_BP_6)
5 PRO A 224
VAL A 227
GLY A 156
MET A 163
THR A 159
None
1.44A 4mubA-4evqA:
undetectable
4mubA-4evqA:
23.54
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.
4fmv GLUCURONOARABINOXYLA
N
ENDO-1,4-BETA-XYLANA
SE


([Clostridium]
papyrosolvens)
PF02055
(Glyco_hydro_30)
PF17189
(Glyco_hydro_30C)
5 LEU A 287
GLY A 208
PHE A 235
MET A 214
THR A 209
None
1.18A 4mubA-4fmvA:
undetectable
4mubA-4fmvA:
19.25
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.
4i3g BETA-GLUCOSIDASE

(Streptomyces
venezuelae)
PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like)
5 VAL A 513
GLY A 576
ASP A 575
THR A 443
THR A 577
None
1.40A 4mubA-4i3gA:
2.2
4mubA-4i3gA:
15.04
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.
4kf8 NUP188

(Thermothelomyces
thermophila)
no annotation 5 PRO A1665
PHE A1585
LEU A1608
GLY A1651
MET A1638
None
1.30A 4mubA-4kf8A:
undetectable
4mubA-4kf8A:
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.
4l8k PUTATIVE PEPTIDASE

(Parabacteroides
merdae)
PF03572
(Peptidase_S41)
PF14684
(Tricorn_C1)
5 MET A 180
PHE A 146
VAL A 249
GLY A 265
THR A 263
MPD  A 403 ( 4.2A)
None
None
None
None
1.20A 4mubA-4l8kA:
undetectable
4mubA-4l8kA:
23.77
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.
4o6v OXIDOREDUCTASE,
SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY


(Brucella suis)
PF13561
(adh_short_C2)
5 LEU A 211
VAL A 175
GLY A 229
THR A 207
THR A 231
None
1.42A 4mubA-4o6vA:
2.7
4mubA-4o6vA:
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.
4opf NRPS/PKS

(Streptomyces
albus)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
5 LEU A6198
VAL A6223
GLY A6218
PHE A6261
THR A6202
None
1.37A 4mubA-4opfA:
undetectable
4mubA-4opfA:
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.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1


(Pisum sativum)
PF00223
(PsaA_PsaB)
5 HIS A 545
GLY A 366
THR A 552
MET A 400
THR A 369
CLA  A1135 (-3.9A)
None
CLA  A1124 (-3.5A)
CLA  A1124 (-3.6A)
CLA  A1127 (-3.3A)
1.33A 4mubA-4rkuA:
undetectable
4mubA-4rkuA:
14.60
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.
4rp8 ASCORBATE-SPECIFIC
PERMEASE IIC
COMPONENT ULAA


(Escherichia
coli)
PF03611
(EIIC-GAT)
5 PRO A 355
GLY A 273
PHE A 330
THR A 334
THR A 272
None
0.99A 4mubA-4rp8A:
undetectable
4mubA-4rp8A:
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.
4rvs PROBABLE QUINONE
REDUCTASE QOR
(NADPH:QUINONE
REDUCTASE)
(ZETA-CRYSTALLIN
HOMOLOG PROTEIN)


(Mycobacterium
tuberculosis)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
5 LEU A 134
VAL A 148
GLY A 222
PHE A 242
THR A 225
None
1.40A 4mubA-4rvsA:
undetectable
4mubA-4rvsA:
20.30
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.
4s13 FERULIC ACID
DECARBOXYLASE 1


(Saccharomyces
cerevisiae)
PF01977
(UbiD)
5 PHE A  64
VAL A 178
GLY A 157
PHE A 268
THR A 155
None
1.36A 4mubA-4s13A:
undetectable
4mubA-4s13A:
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.
4s2t PROTEIN APP-1

(Caenorhabditis
elegans)
PF00557
(Peptidase_M24)
PF01321
(Creatinase_N)
PF16188
(Peptidase_M24_C)
PF16189
(Creatinase_N_2)
5 PHE P 556
LEU P 559
GLY P 448
THR P 560
THR P 470
None
1.35A 4mubA-4s2tP:
undetectable
4mubA-4s2tP:
17.21
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.
4tv6 2-DEHYDRO-3-DEOXYGLU
CARATE ALDOLASE


(Staphylococcus
aureus)
PF03328
(HpcH_HpaI)
5 PRO A 215
PHE A  21
LEU A 234
PHE A  40
MET A 149
None
None
None
None
OAA  A 301 ( 4.2A)
1.17A 4mubA-4tv6A:
undetectable
4mubA-4tv6A:
17.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4w8j PESTICIDAL CRYSTAL
PROTEIN CRY1AC


(Bacillus
thuringiensis)
PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N)
5 PRO A 271
LEU A 383
GLY A 357
PHE A 388
THR A 386
None
1.28A 4mubA-4w8jA:
undetectable
4mubA-4w8jA:
12.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xru HEN1

(Capnocytophaga
gingivalis)
no annotation 5 LEU C 199
GLY C 419
ASP C 420
PHE C 244
THR C 249
None
1.44A 4mubA-4xruC:
undetectable
4mubA-4xruC:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zel DOPAMINE
BETA-HYDROXYLASE


(Homo sapiens)
PF01082
(Cu2_monooxygen)
PF03351
(DOMON)
PF03712
(Cu2_monoox_C)
5 PHE A  74
LEU A 145
VAL A 101
ASP A 130
MET A  89
None
1.43A 4mubA-4zelA:
undetectable
4mubA-4zelA:
17.37
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.
4ztk CELL DIVISION
PROTEIN
FTSI/PENICILLIN
BINDING PROTEIN 2


(Legionella
pneumophila)
PF00905
(Transpeptidase)
5 PRO A 588
LEU A 631
VAL A 565
GLY A 616
THR A 569
None
None
None
None
NHE  A 901 (-3.6A)
1.45A 4mubA-4ztkA:
undetectable
4mubA-4ztkA:
21.26
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.
4zv7 LIPASE B

(Moesziomyces
antarcticus)
no annotation 5 LEU A  73
VAL A 154
ASP A 134
THR A  40
THR A 164
None
1.45A 4mubA-4zv7A:
undetectable
4mubA-4zv7A:
19.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5byk SULFOTRANSFERASE

(Schistosoma
mansoni)
no annotation 5 HIS A  37
PHE A  39
VAL A 127
GLY A 143
ASP A 144
OAQ  A 302 ( 4.6A)
None
OAQ  A 302 (-4.9A)
OAQ  A 302 ( 4.1A)
OAQ  A 302 (-3.3A)
1.12A 4mubA-5bykA:
44.7
4mubA-5bykA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5byk SULFOTRANSFERASE

(Schistosoma
mansoni)
no annotation 12 PRO A  16
HIS A  37
MET A  38
PHE A  39
LEU A  92
VAL A 128
GLY A 143
ASP A 144
PHE A 153
THR A 157
MET A 233
THR A 237
OAQ  A 302 (-4.4A)
OAQ  A 302 ( 4.6A)
OAQ  A 302 (-4.3A)
None
OAQ  A 302 (-4.0A)
OAQ  A 302 (-4.0A)
OAQ  A 302 ( 4.1A)
OAQ  A 302 (-3.3A)
OAQ  A 302 ( 4.8A)
OAQ  A 302 (-2.6A)
None
OAQ  A 302 (-3.8A)
0.19A 4mubA-5bykA:
44.7
4mubA-5bykA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5byk SULFOTRANSFERASE

(Schistosoma
mansoni)
no annotation 6 PRO A  16
HIS A  37
PHE A  39
LEU A  92
VAL A 128
THR A 234
OAQ  A 302 (-4.4A)
OAQ  A 302 ( 4.6A)
None
OAQ  A 302 (-4.0A)
OAQ  A 302 (-4.0A)
None
1.22A 4mubA-5bykA:
44.7
4mubA-5bykA:
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.
5cx7 ATP:COB(I)ALAMIN
ADENOSYLTRANSFERASE


(Salmonella
enterica)
PF03928
(Haem_degrading)
5 LEU A  20
VAL A  37
GLY A 125
ASP A 130
MET A  52
None
None
GOL  A 202 (-4.2A)
GOL  A 202 (-3.6A)
None
1.41A 4mubA-5cx7A:
undetectable
4mubA-5cx7A:
19.07
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.
5cxp POSSIBLE XYLAN
DEGRADATION ENZYME
(GLYCOSYL HYDROLASE
FAMILY 30-LIKE
DOMAIN AND RICIN
B-LIKE DOMAIN)


(Clostridium
acetobutylicum)
PF02055
(Glyco_hydro_30)
5 PRO A  89
LEU A 107
GLY A 205
PHE A 158
THR A 229
None
0.86A 4mubA-5cxpA:
undetectable
4mubA-5cxpA:
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.
5cxp POSSIBLE XYLAN
DEGRADATION ENZYME
(GLYCOSYL HYDROLASE
FAMILY 30-LIKE
DOMAIN AND RICIN
B-LIKE DOMAIN)


(Clostridium
acetobutylicum)
PF02055
(Glyco_hydro_30)
5 PRO A  89
LEU A 107
GLY A 206
PHE A 158
THR A 229
None
1.33A 4mubA-5cxpA:
undetectable
4mubA-5cxpA:
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.
5cyr RNA-DEPENDENT RNA
POLYMERASE


(Thosea asigna
virus)
no annotation 5 PRO B 629
PHE B 620
LEU B 569
VAL B 634
GLY B 324
None
1.28A 4mubA-5cyrB:
undetectable
4mubA-5cyrB:
16.96
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.
5cyr RNA-DEPENDENT RNA
POLYMERASE


(Thosea asigna
virus)
no annotation 5 PRO B 629
PHE B 620
LEU B 569
VAL B 634
GLY B 325
None
1.28A 4mubA-5cyrB:
undetectable
4mubA-5cyrB:
16.96
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.
5epg ALDEHYDE OXIDASE

(Homo sapiens)
PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C)
5 LEU A  31
VAL A  54
GLY A 146
THR A  40
MET A 352
None
1.07A 4mubA-5epgA:
undetectable
4mubA-5epgA:
10.69
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.
5ham RICKCE

(Rickettsia
bellii)
no annotation 5 MET A 461
LEU A 457
GLY A 500
ASP A 501
THR A 455
None
1.26A 4mubA-5hamA:
undetectable
4mubA-5hamA:
23.75
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.
5i4q ELONGATION FACTOR TU

(Escherichia
coli)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2)
5 PHE C 323
LEU C 312
GLY C 340
THR C 383
MET C 359
None
1.22A 4mubA-5i4qC:
undetectable
4mubA-5i4qC:
19.40
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.
5jki PUTATIVE LIPID
PHOSPHATE
PHOSPHATASE YODM


(Bacillus
subtilis)
PF01569
(PAP2)
5 VAL A 166
GLY A  53
PHE A 180
MET A  46
THR A  50
None
1.15A 4mubA-5jkiA:
undetectable
4mubA-5jkiA:
21.94
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.
5jxr CHROMATIN-REMODELING
COMPLEX ATPASE-LIKE
PROTEIN


(Thermothelomyces
thermophila)
PF00176
(SNF2_N)
PF00271
(Helicase_C)
5 PHE A 365
LEU A 356
GLY A 101
PHE A 396
THR A 103
None
1.38A 4mubA-5jxrA:
undetectable
4mubA-5jxrA:
16.21
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.
5mil DUTPASE FAMILY
PROTEIN


(Staphylococcus
aureus)
PF08761
(dUTPase_2)
5 PHE A  41
LEU A  47
PHE A  50
THR A  49
MET A 112
None
1.40A 4mubA-5milA:
undetectable
4mubA-5milA:
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.
5mzn HELICASE
SEN1,HELICASE SEN1


(Saccharomyces
cerevisiae)
PF13086
(AAA_11)
PF13087
(AAA_12)
5 PHE A1811
LEU A1818
GLY A1615
ASP A1616
THR A1819
EDO  A2010 ( 2.9A)
None
None
None
None
1.28A 4mubA-5mznA:
undetectable
4mubA-5mznA:
16.38
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.
5nsq AMINOPEPTIDASE,
PUTATIVE


(Trypanosoma
brucei)
PF00883
(Peptidase_M17)
5 LEU A 514
VAL A 494
GLY A 411
PHE A 509
THR A 410
None
0.96A 4mubA-5nsqA:
undetectable
4mubA-5nsqA:
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.
5ntf AMINOPEPTIDASE

(Trypanosoma
cruzi)
PF00883
(Peptidase_M17)
5 LEU A 513
VAL A 493
GLY A 410
PHE A 508
THR A 409
None
0.98A 4mubA-5ntfA:
undetectable
4mubA-5ntfA:
17.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tiw SULFOTRANSFERASE

(Schistosoma
haematobium)
no annotation 5 PRO A  31
HIS A  52
LEU A 101
VAL A 137
THR A 243
OAQ  A 302 (-4.7A)
OAQ  A 302 ( 4.9A)
OAQ  A 302 ( 4.1A)
OAQ  A 302 (-4.0A)
None
1.18A 4mubA-5tiwA:
39.6
4mubA-5tiwA:
75.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tiw SULFOTRANSFERASE

(Schistosoma
haematobium)
no annotation 10 PRO A  31
HIS A  52
MET A  53
LEU A 101
VAL A 137
GLY A 152
ASP A 153
PHE A 162
MET A 242
THR A 246
OAQ  A 302 (-4.7A)
OAQ  A 302 ( 4.9A)
OAQ  A 302 (-4.5A)
OAQ  A 302 ( 4.1A)
OAQ  A 302 (-4.0A)
OAQ  A 302 ( 4.5A)
OAQ  A 302 (-3.1A)
OAQ  A 302 (-4.6A)
OAQ  A 302 ( 4.0A)
OAQ  A 302 (-3.5A)
0.38A 4mubA-5tiwA:
39.6
4mubA-5tiwA:
75.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tiz SULFOTRANSFERASE

(Schistosoma
japonicum)
no annotation 7 PRO A  16
HIS A  37
MET A  38
LEU A  88
VAL A 124
PHE A 149
THR A 233
None
0.59A 4mubA-5tizA:
35.1
4mubA-5tizA:
57.72
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.
5u2p SUGAR ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN


(Treponema
pallidum)
PF01547
(SBP_bac_1)
5 HIS A 278
LEU A 308
ASP A 385
THR A 309
THR A 193
None
None
EDO  A 504 (-2.3A)
None
None
1.44A 4mubA-5u2pA:
undetectable
4mubA-5u2pA:
20.85
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.
5usc PREPHENATE
DEHYDROGENASE


(Bacillus
anthracis)
PF02153
(PDH)
5 HIS A 161
MET A 160
GLY A 108
ASP A 106
THR A 110
None
1.14A 4mubA-5uscA:
undetectable
4mubA-5uscA:
21.94
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.
5vxb PROXP-ALA

(Caulobacter
vibrioides)
PF04073
(tRNA_edit)
5 PRO A 156
LEU A 149
GLY A  63
PHE A 129
THR A  65
None
1.23A 4mubA-5vxbA:
undetectable
4mubA-5vxbA:
21.64
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.
5xlu GAMMA GLUTAMYL
TRANSPEPTIDASE


(Bacillus
licheniformis)
no annotation 5 PRO A 338
VAL A 343
GLY A 373
ASP A 330
PHE A 293
PRO  A 338 ( 1.1A)
VAL  A 343 ( 0.5A)
GLY  A 373 ( 0.0A)
ASP  A 330 ( 0.5A)
PHE  A 293 ( 1.3A)
1.45A 4mubA-5xluA:
undetectable
4mubA-5xluA:
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.
5xvi GLUTAMATE
DEHYDROGENASE


(Aspergillus
niger)
no annotation 5 PHE A 265
LEU A 272
GLY A 255
ASP A 252
THR A 276
None
1.33A 4mubA-5xviA:
undetectable
4mubA-5xviA:
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.
5zmy -

(-)
no annotation 5 PRO A 133
HIS A  69
LEU A 103
GLY A 218
THR A 212
TAR  A 401 (-4.3A)
ZN  A 400 ( 3.3A)
None
None
None
1.42A 4mubA-5zmyA:
undetectable
4mubA-5zmyA:
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.
6dd3 CYTOSOLIC PURINE
5'-NUCLEOTIDASE


(Homo sapiens)
no annotation 5 HIS A 209
PHE A 157
GLY A 350
ASP A 356
THR A  56
None
None
None
PO4  A 601 ( 4.9A)
None
1.08A 4mubA-6dd3A:
undetectable
4mubA-6dd3A:
undetectable