SIMILAR PATTERNS OF AMINO ACIDS FOR 4MMD_A_29EA603

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.
1cpt CYTOCHROME P450-TERP

(Pseudomonas sp.)
PF00067
(p450)
5 VAL A 308
ALA A 307
GLY A 416
SER A 276
GLY A 278
HEM  A 430 ( 4.7A)
None
None
None
None
1.36A 4mmdA-1cptA:
0.0
4mmdA-1cptA:
22.30
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.
1dbi AK.1 SERINE PROTEASE

(Bacillus sp.
Ak1)
PF00082
(Peptidase_S8)
5 ASP A  48
VAL A 211
ALA A 220
TYR A 219
GLY A  92
CA  A 701 (-2.2A)
None
None
None
None
1.03A 4mmdA-1dbiA:
0.1
4mmdA-1dbiA:
21.40
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.
1e6y METHYL-COENZYME M
REDUCTASE SUBUNIT
ALPHA


(Methanosarcina
barkeri)
PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N)
5 ASP A1488
ALA A1474
GLY A1507
SER A1445
GLY A1446
None
1.35A 4mmdA-1e6yA:
2.4
4mmdA-1e6yA:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gco GLUCOSE
DEHYDROGENASE


(Bacillus
megaterium)
PF13561
(adh_short_C2)
5 ALA A 159
TYR A 158
GLY A 187
SER A 161
GLY A 163
None
NAD  A 601 (-4.5A)
None
None
None
1.31A 4mmdA-1gcoA:
undetectable
4mmdA-1gcoA:
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.
1gz7 LIPASE 2

(Diutina rugosa)
PF00135
(COesterase)
5 PRO A  65
VAL A 296
ALA A 298
PHE A  87
GLY A  67
None
None
NAG  A1536 ( 4.6A)
None
None
1.09A 4mmdA-1gz7A:
0.8
4mmdA-1gz7A:
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.
1h7k CATALASE

(Proteus
mirabilis)
PF00199
(Catalase)
PF06628
(Catalase-rel)
5 VAL A 211
TYR A 199
GLY A 321
PHE A 201
SER A 325
None
1.30A 4mmdA-1h7kA:
2.3
4mmdA-1h7kA:
22.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j32 ASPARTATE
AMINOTRANSFERASE


(Phormidium
lapideum)
PF00155
(Aminotran_1_2)
5 PRO A 326
TYR A 323
GLY A 353
PHE A 325
SER A 365
None
1.35A 4mmdA-1j32A:
0.0
4mmdA-1j32A:
23.18
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.
1ng0 COAT PROTEIN

(Cocksfoot
mottle virus)
PF00729
(Viral_coat)
5 VAL A 180
ALA A 179
GLY A 233
SER A 166
GLY A 163
VAL  A 180 ( 0.6A)
ALA  A 179 ( 0.0A)
GLY  A 233 ( 0.0A)
SER  A 166 ( 0.0A)
GLY  A 163 ( 0.0A)
1.33A 4mmdA-1ng0A:
undetectable
4mmdA-1ng0A:
18.92
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.
1np7 DNA PHOTOLYASE

(Synechocystis
sp. PCC 6803)
PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7)
5 TYR A 398
ALA A 300
TYR A 303
PHE A 295
GLY A 394
None
1.15A 4mmdA-1np7A:
undetectable
4mmdA-1np7A:
22.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pq5 TRYPSIN

(Fusarium
oxysporum)
PF00089
(Trypsin)
5 PRO A 198
VAL A 210
ALA A 209
GLY A 139
GLY A  42
None
ARG  A 703 (-4.5A)
None
None
None
1.19A 4mmdA-1pq5A:
undetectable
4mmdA-1pq5A:
19.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qwk ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C1


(Caenorhabditis
elegans)
PF00248
(Aldo_ket_red)
5 PRO A  17
VAL A  18
ALA A 259
GLY A  42
GLY A  20
None
1.28A 4mmdA-1qwkA:
undetectable
4mmdA-1qwkA:
21.65
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.
1ulv GLUCODEXTRANASE

(Arthrobacter
globiformis)
PF00723
(Glyco_hydro_15)
PF09136
(Glucodextran_B)
PF09137
(Glucodextran_N)
PF09985
(Glucodextran_C)
5 PRO A 945
ALA A 934
GLY A 974
SER A 936
GLY A 939
None
1.21A 4mmdA-1ulvA:
undetectable
4mmdA-1ulvA:
19.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w5d PENICILLIN-BINDING
PROTEIN


(Bacillus
subtilis)
PF02113
(Peptidase_S13)
5 ASP A 200
PRO A 176
VAL A 174
ALA A 185
GLY A 227
None
1.36A 4mmdA-1w5dA:
undetectable
4mmdA-1w5dA:
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.
1xje RIBONUCLEOTIDE
REDUCTASE,
B12-DEPENDENT


(Thermotoga
maritima)
PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
5 ALA A 617
TYR A 614
GLY A 246
PHE A 247
GLY A 624
None
1.13A 4mmdA-1xjeA:
undetectable
4mmdA-1xjeA:
22.82
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.
1z68 FIBROBLAST
ACTIVATION PROTEIN,
ALPHA SUBUNIT


(Homo sapiens)
PF00326
(Peptidase_S9)
PF00930
(DPPIV_N)
5 VAL A 540
TYR A 541
GLY A 593
SER A 624
GLY A 627
None
1.09A 4mmdA-1z68A:
undetectable
4mmdA-1z68A:
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.
1zoi ESTERASE

(Pseudomonas
putida)
PF00561
(Abhydrolase_1)
5 VAL A 124
ALA A 123
GLY A 199
PHE A 203
GLY A  99
None
1.36A 4mmdA-1zoiA:
undetectable
4mmdA-1zoiA:
19.19
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.
2atz H. PYLORI PREDICTED
CODING REGION HP0184


(Helicobacter
pylori)
PF08966
(DUF1882)
5 TYR A  78
ASP A  77
PRO A 143
ALA A 139
GLY A  80
None
DGT  A 201 (-2.9A)
None
None
None
1.34A 4mmdA-2atzA:
undetectable
4mmdA-2atzA:
17.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b7h HEMOGLOBIN BETA
CHAIN


(Cerdocyon thous)
PF00042
(Globin)
5 PRO B 124
VAL B 126
ALA B 128
TYR B 130
GLY B 119
None
1.35A 4mmdA-2b7hB:
undetectable
4mmdA-2b7hB:
14.51
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.
2buc DIPEPTIDYL PEPTIDASE
IV


(Sus scrofa)
PF00326
(Peptidase_S9)
PF00930
(DPPIV_N)
5 VAL A 546
TYR A 547
GLY A 599
SER A 630
GLY A 633
None
SO4  A1769 ( 4.5A)
NDG  A1685 (-4.6A)
SO4  A1769 ( 3.0A)
None
0.96A 4mmdA-2bucA:
undetectable
4mmdA-2bucA:
21.20
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.
2cev PROTEIN (ARGINASE)

([Bacillus]
caldovelox)
PF00491
(Arginase)
5 ASP A 226
PRO A 274
ALA A 283
GLY A 239
GLY A  23
MN  A 302 (-2.9A)
None
None
None
None
1.26A 4mmdA-2cevA:
undetectable
4mmdA-2cevA:
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.
2d5l DIPEPTIDYL
AMINOPEPTIDASE IV,
PUTATIVE


(Porphyromonas
gingivalis)
PF00326
(Peptidase_S9)
PF00930
(DPPIV_N)
5 VAL A 517
TYR A 518
GLY A 572
SER A 603
GLY A 606
None
1.03A 4mmdA-2d5lA:
undetectable
4mmdA-2d5lA:
21.79
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.
2dne DIHYDROLIPOYLLYSINE-
RESIDUE
ACETYLTRANSFERASE
COMPONENT OF
PYRUVATE
DEHYDROGENASE
COMPLEX


(Homo sapiens)
PF00364
(Biotin_lipoyl)
5 ASP A  72
VAL A  66
ALA A  67
GLY A  22
GLY A  69
None
1.20A 4mmdA-2dneA:
undetectable
4mmdA-2dneA:
11.67
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.
2ix4 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE


(Arabidopsis
thaliana)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
5 VAL A 232
ALA A 233
GLY A 197
PHE A 198
SER A 189
None
1.26A 4mmdA-2ix4A:
undetectable
4mmdA-2ix4A:
20.63
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.
2nxo HYPOTHETICAL PROTEIN
SCO4506


(Streptomyces
coelicolor)
PF02621
(VitK2_biosynth)
5 VAL A 187
ALA A 186
GLY A 250
PHE A 249
GLY A  78
None
1.27A 4mmdA-2nxoA:
1.2
4mmdA-2nxoA:
18.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p7n PATHOGENICITY ISLAND
1 EFFECTOR PROTEIN


(Chromobacterium
violaceum)
PF06511
(IpaD)
5 ASP A 259
PRO A 267
VAL A 264
GLY A 274
GLY A 277
None
1.20A 4mmdA-2p7nA:
undetectable
4mmdA-2p7nA:
21.80
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.
2yut PUTATIVE SHORT-CHAIN
OXIDOREDUCTASE


(Thermus
thermophilus)
PF00106
(adh_short)
5 PRO A 123
VAL A 126
ALA A 135
TYR A 134
GLY A 139
None
1.32A 4mmdA-2yutA:
undetectable
4mmdA-2yutA:
19.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a28 L-2.3-BUTANEDIOL
DEHYDROGENASE


(Corynebacterium
glutamicum)
no annotation 5 PRO C 226
VAL C 229
ALA C 230
TYR C 182
GLY C  15
None
1.09A 4mmdA-3a28C:
undetectable
4mmdA-3a28C:
20.84
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.
3aje PUTATIVE
UNCHARACTERIZED
PROTEIN ST1526


(Sulfurisphaera
tokodaii)
PF01300
(Sua5_yciO_yrdC)
PF03481
(SUA5)
5 VAL A 294
ALA A 295
GLY A 317
PHE A 318
GLY A 324
None
1.09A 4mmdA-3ajeA:
undetectable
4mmdA-3ajeA:
21.52
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.
3auf GLYCINAMIDE
RIBONUCLEOTIDE
TRANSFORMYLASE 1


(Symbiobacterium
toebii)
PF00551
(Formyl_trans_N)
5 ASP A  37
VAL A  34
ALA A  54
GLY A  88
GLY A  43
None
1.26A 4mmdA-3aufA:
undetectable
4mmdA-3aufA:
18.74
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.
3aut GLUCOSE
1-DEHYDROGENASE 4


(Bacillus
megaterium)
PF13561
(adh_short_C2)
5 ALA A 159
TYR A 158
GLY A 187
SER A 161
GLY A 163
None
1.33A 4mmdA-3autA:
undetectable
4mmdA-3autA:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ayf NITRIC OXIDE
REDUCTASE


(Geobacillus
stearothermophilus)
PF00115
(COX1)
5 VAL A 667
ALA A 666
TYR A 670
GLY A 306
PHE A 309
None
1.25A 4mmdA-3ayfA:
undetectable
4mmdA-3ayfA:
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.
3bjr PUTATIVE
CARBOXYLESTERASE


(Lactobacillus
plantarum)
PF07859
(Abhydrolase_3)
5 TYR A  18
VAL A  47
ALA A  48
GLY A  17
SER A  52
None
GOL  A 265 (-3.9A)
GOL  A 265 (-3.3A)
None
None
1.08A 4mmdA-3bjrA:
undetectable
4mmdA-3bjrA:
18.08
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.
3dnf 4-HYDROXY-3-METHYLBU
T-2-ENYL DIPHOSPHATE
REDUCTASE


(Aquifex
aeolicus)
PF02401
(LYTB)
5 VAL A  20
ALA A  19
GLY A  11
PHE A  12
GLY A  15
None
None
None
None
F3S  A2302 (-3.4A)
1.24A 4mmdA-3dnfA:
undetectable
4mmdA-3dnfA:
20.34
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.
3ezu GGDEF DOMAIN PROTEIN

(Geobacter
sulfurreducens)
PF00990
(GGDEF)
5 ASP A 313
ALA A 205
TYR A 204
GLY A 315
SER A 201
None
1.35A 4mmdA-3ezuA:
undetectable
4mmdA-3ezuA:
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.
3fd5 SELENIDE, WATER
DIKINASE 1


(Homo sapiens)
PF00586
(AIRS)
PF02769
(AIRS_C)
5 VAL A 302
ALA A 305
GLY A  28
PHE A 310
GLY A 307
None
1.33A 4mmdA-3fd5A:
undetectable
4mmdA-3fd5A:
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.
3fou QUINOL-CYTOCHROME C
REDUCTASE, RIESKE
IRON-SULFUR SUBUNIT


(Thermus
thermophilus)
PF00355
(Rieske)
5 VAL A 126
ALA A 121
GLY A  78
PHE A 108
GLY A 124
None
1.36A 4mmdA-3fouA:
undetectable
4mmdA-3fouA:
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.
3gg7 UNCHARACTERIZED
METALLOPROTEIN


(Deinococcus
radiodurans)
PF01026
(TatD_DNase)
5 ASP A   3
PRO A  14
VAL A  17
ALA A  18
GLY A 195
None
1.01A 4mmdA-3gg7A:
undetectable
4mmdA-3gg7A:
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.
3ic1 SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE


(Haemophilus
influenzae)
PF01546
(Peptidase_M20)
PF07687
(M20_dimer)
5 PRO A 293
GLY A 328
PHE A 294
SER A 290
GLY A 291
None
1.27A 4mmdA-3ic1A:
undetectable
4mmdA-3ic1A:
21.78
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.
3iec SERINE/THREONINE-PRO
TEIN KINASE MARK2


(Homo sapiens)
PF00069
(Pkinase)
PF00627
(UBA)
5 PRO A 214
VAL A 238
TYR A 241
PHE A 250
SER A 247
None
1.30A 4mmdA-3iecA:
undetectable
4mmdA-3iecA:
20.84
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.
3io0 ETUB PROTEIN

(Clostridium
kluyveri)
PF00936
(BMC)
5 PRO A 227
VAL A 230
ALA A 225
GLY A 293
GLY A 194
None
1.34A 4mmdA-3io0A:
undetectable
4mmdA-3io0A:
17.33
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.
3lhf SERINE RECOMBINASE

(Sulfolobus
solfataricus)
PF00239
(Resolvase)
5 ASP A  91
PRO A 123
VAL A 120
ALA A 121
GLY A  95
None
1.13A 4mmdA-3lhfA:
undetectable
4mmdA-3lhfA:
13.02
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.
3mc1 PREDICTED
PHOSPHATASE, HAD
FAMILY


(Clostridium
acetobutylicum)
PF13419
(HAD_2)
5 ASP A  10
VAL A 105
ALA A 106
SER A 108
GLY A 132
GOL  A 303 ( 3.8A)
None
None
None
None
1.12A 4mmdA-3mc1A:
undetectable
4mmdA-3mc1A:
17.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mpn TRANSPORTER

(Aquifex
aeolicus)
PF00209
(SNF)
6 PRO A 101
VAL A 104
ALA A 105
TYR A 108
PHE A 259
SER A 356
None
None
None
LEU  A 601 (-4.5A)
LEU  A 601 (-3.6A)
None
0.45A 4mmdA-3mpnA:
60.2
4mmdA-3mpnA:
98.62
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.
3r9s CARNITINYL-COA
DEHYDRATASE


(Mycobacterium
avium)
PF00378
(ECH_1)
5 ASP A  82
PRO A   5
ALA A  32
SER A  34
GLY A  36
None
1.21A 4mmdA-3r9sA:
undetectable
4mmdA-3r9sA:
20.61
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.
3sd7 PUTATIVE PHOSPHATASE

(Clostridioides
difficile)
PF13419
(HAD_2)
5 ASP A  13
VAL A 107
ALA A 108
SER A 110
GLY A 134
None
None
None
None
GOL  A 221 (-4.2A)
1.03A 4mmdA-3sd7A:
undetectable
4mmdA-3sd7A:
19.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t7b ACETYLGLUTAMATE
KINASE


(Yersinia pestis)
PF00696
(AA_kinase)
5 PRO A 230
VAL A 231
ALA A 224
GLY A 172
GLY A 228
None
1.24A 4mmdA-3t7bA:
undetectable
4mmdA-3t7bA:
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.
3tg9 PENICILLIN-BINDING
PROTEIN


(Bacillus
halodurans)
PF00144
(Beta-lactamase)
5 ASP A 234
ALA A 200
GLY A 188
PHE A 190
GLY A  50
None
1.07A 4mmdA-3tg9A:
undetectable
4mmdA-3tg9A:
20.86
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.
3tkk PREDICTED
ACETAMIDASE/FORMAMID
ASE


(Caldanaerobacter
subterraneus)
PF03069
(FmdA_AmdA)
5 ASP A 182
VAL A  84
ALA A  85
GLY A 196
GLY A  88
ZN  A 301 ( 2.4A)
None
None
None
None
1.32A 4mmdA-3tkkA:
undetectable
4mmdA-3tkkA:
19.89
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.
3u07 UNCHARACTERIZED
PROTEIN VPA0106


(Vibrio
parahaemolyticus)
PF06742
(DUF1214)
PF06863
(DUF1254)
5 VAL A 157
ALA A 140
GLY A 117
SER A 227
GLY A 226
None
1.20A 4mmdA-3u07A:
undetectable
4mmdA-3u07A:
21.36
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.
3vss BETA-FRUCTOFURANOSID
ASE


(Microbacterium
saccharophilum)
PF02435
(Glyco_hydro_68)
5 TYR A 418
ASP A 417
ALA A  55
TYR A  54
GLY A 411
None
None
FRU  A 603 ( 3.9A)
None
None
1.35A 4mmdA-3vssA:
undetectable
4mmdA-3vssA:
21.60
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.
3zuk ENDOPEPTIDASE,
PEPTIDASE FAMILY M13


(Mycobacterium
tuberculosis)
PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N)
5 VAL A 596
ALA A 482
TYR A 484
GLY A 567
GLY A 486
None
1.13A 4mmdA-3zukA:
undetectable
4mmdA-3zukA:
21.60
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.
3zyt ESTERASE A

(Paenarthrobacter
nitroguajacolicus)
PF00144
(Beta-lactamase)
5 VAL A 283
GLY A  63
PHE A 305
SER A 106
GLY A 302
None
1.23A 4mmdA-3zytA:
undetectable
4mmdA-3zytA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zyv AOX3

(Mus musculus)
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 ASP A1089
PRO A1015
ALA A1143
TYR A1141
PHE A1014
None
1.31A 4mmdA-3zyvA:
undetectable
4mmdA-3zyvA:
18.08
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.
4btp P1

(Pseudomonas
phage phi8)
no annotation 5 PRO A 650
ALA A 648
TYR A 638
GLY A 716
GLY A 725
None
0.76A 4mmdA-4btpA:
undetectable
4mmdA-4btpA:
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.
4btp P1

(Pseudomonas
phage phi8)
no annotation 5 PRO A 650
VAL A 636
ALA A 648
TYR A 638
GLY A 725
None
0.90A 4mmdA-4btpA:
undetectable
4mmdA-4btpA:
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.
4dz4 AGMATINASE

(Burkholderia
thailandensis)
PF00491
(Arginase)
5 ASP A 242
PRO A 289
ALA A 298
GLY A 255
GLY A  65
MN  A 401 ( 2.8A)
EDO  A 405 ( 4.7A)
None
None
None
1.32A 4mmdA-4dz4A:
undetectable
4mmdA-4dz4A:
20.97
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.
4e2o ALPHA-AMYLASE

(Geobacillus
thermoleovorans)
PF00128
(Alpha-amylase)
5 ASP A 113
VAL A  57
TYR A  65
GLY A 117
GLY A  68
None
1.35A 4mmdA-4e2oA:
undetectable
4mmdA-4e2oA:
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.
4hr6 LECTIN

(Trichosanthes
anguina)
PF00652
(Ricin_B_lectin)
5 ASP C  16
TYR C 176
GLY C 211
SER C 177
GLY C 179
None
1.15A 4mmdA-4hr6C:
undetectable
4mmdA-4hr6C:
19.39
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.
4l8k PUTATIVE PEPTIDASE

(Parabacteroides
merdae)
PF03572
(Peptidase_S41)
PF14684
(Tricorn_C1)
5 VAL A 172
TYR A 143
PHE A 246
SER A 145
GLY A 177
None
1.23A 4mmdA-4l8kA:
undetectable
4mmdA-4l8kA:
20.86
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.
4mq0 PARKIA BIGLOBOSA
LECTIN (PBL)


(Parkia
biglobosa)
PF01419
(Jacalin)
5 ASP A 355
ALA A 429
TYR A 432
GLY A 357
GLY A 349
None
None
MMA  A 502 (-3.8A)
None
None
1.32A 4mmdA-4mq0A:
undetectable
4mmdA-4mq0A:
21.06
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.
4mq0 PARKIA BIGLOBOSA
LECTIN (PBL)


(Parkia
biglobosa)
PF01419
(Jacalin)
5 VAL A 390
TYR A 378
GLY A 437
SER A 412
GLY A 376
None
1.10A 4mmdA-4mq0A:
undetectable
4mmdA-4mq0A:
21.06
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.
4psp ALPHA-FUCOSIDASE
GH29


(Fusarium
graminearum)
PF01120
(Alpha_L_fucos)
PF16757
(Fucosidase_C)
5 ASP A 303
VAL A 167
ALA A 120
TYR A  32
GLY A  30
GOL  A 622 (-2.6A)
None
None
None
None
0.98A 4mmdA-4pspA:
undetectable
4mmdA-4pspA:
23.29
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.
4q1v PUTATIVE DIPEPTIDYL
AMINOPEPTIDASE IV


(Bacteroides
ovatus)
PF00326
(Peptidase_S9)
PF00930
(DPPIV_N)
5 VAL A 517
TYR A 518
GLY A 572
SER A 603
GLY A 606
None
PEG  A 801 ( 4.0A)
None
None
None
1.01A 4mmdA-4q1vA:
undetectable
4mmdA-4q1vA:
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.
4qav 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2


(Neisseria
meningitidis)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
5 VAL A 351
ALA A 350
TYR A 352
GLY A 236
GLY A 346
None
1.24A 4mmdA-4qavA:
undetectable
4mmdA-4qavA:
23.80
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.
4qax 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE


(Staphylococcus
aureus)
PF01676
(Metalloenzyme)
PF06415
(iPGM_N)
5 ASP A 230
ALA A 222
TYR A 224
GLY A 184
GLY A 219
None
1.27A 4mmdA-4qaxA:
undetectable
4mmdA-4qaxA:
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.
4r1d UNCHARACTERIZED
PROTEIN


(Pseudomonas
aeruginosa)
no annotation 5 VAL B 261
ALA B 262
GLY A  89
SER B 264
GLY B 270
None
1.29A 4mmdA-4r1dB:
undetectable
4mmdA-4r1dB:
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.
4rkk LAFORIN

(Homo sapiens)
PF00686
(CBM_20)
PF00782
(DSPc)
5 PRO A 246
VAL A 249
ALA A 248
GLY A 322
PHE A 317
None
1.25A 4mmdA-4rkkA:
undetectable
4mmdA-4rkkA:
20.49
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.
4u9u NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT F


(Vibrio cholerae)
PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6)
5 PRO A 161
GLY A 166
PHE A 162
SER A 261
GLY A 262
None
1.23A 4mmdA-4u9uA:
undetectable
4mmdA-4u9uA:
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.
4xn3 TAIL SPIKE PROTEIN

(Salmonella
virus HK620)
no annotation 5 ASP A 561
VAL A 615
ALA A 614
GLY A 556
PHE A 584
None
1.18A 4mmdA-4xn3A:
undetectable
4mmdA-4xn3A:
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.
4xnu INTEGRAL MEMBRANE
PROTEIN-DOPAMINE
TRANSPORTER


(Drosophila
melanogaster)
PF00209
(SNF)
5 ASP A  46
GLY A 322
PHE A 325
SER A 422
GLY A 425
41U  A 605 ( 3.3A)
41U  A 605 ( 4.1A)
41U  A 605 ( 4.7A)
None
41U  A 605 ( 3.7A)
0.94A 4mmdA-4xnuA:
41.0
4mmdA-4xnuA:
29.56
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.
4xnu INTEGRAL MEMBRANE
PROTEIN-DOPAMINE
TRANSPORTER


(Drosophila
melanogaster)
PF00209
(SNF)
6 ASP A  46
VAL A 120
TYR A 124
GLY A 322
SER A 422
GLY A 425
41U  A 605 ( 3.3A)
41U  A 605 (-4.2A)
41U  A 605 ( 3.8A)
41U  A 605 ( 4.1A)
None
41U  A 605 ( 3.7A)
0.82A 4mmdA-4xnuA:
41.0
4mmdA-4xnuA:
29.56
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.
4y9v PARTICLE-ASSOCIATED
LYASE


(Acinetobacter
virus AP22)
no annotation 5 VAL A 404
ALA A 405
GLY A 420
SER A 385
GLY A 407
None
None
None
None
49S  A 814 (-3.5A)
1.22A 4mmdA-4y9vA:
undetectable
4mmdA-4y9vA:
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.
4yu4 HEMOGLOBIN

(Helogale
parvula)
PF00042
(Globin)
5 PRO B 124
VAL B 126
ALA B 128
TYR B 130
GLY B 119
None
1.36A 4mmdA-4yu4B:
undetectable
4mmdA-4yu4B:
14.71
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.
4z26 PUTATIVE GMC-TYPE
OXIDOREDUCTASE R135


(Acanthamoeba
polyphaga
mimivirus)
PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C)
5 PRO A 612
ALA A 609
GLY A 440
SER A 607
GLY A 580
None
1.02A 4mmdA-4z26A:
undetectable
4mmdA-4z26A:
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.
4zz7 METHYLMALONATE-SEMIA
LDEHYDE
DEHYDROGENASE


(Oceanimonas
doudoroffii)
PF00171
(Aldedh)
5 TYR A 110
VAL A 164
ALA A  65
GLY A 464
GLY A 113
None
1.11A 4mmdA-4zz7A:
undetectable
4mmdA-4zz7A:
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.
5bug PHOSPHATIDYLINOSITOL
3,4,5-TRISPHOSPHATE
3-PHOSPHATASE AND
DUAL-SPECIFICITY
PROTEIN PHOSPHATASE
PTEN


(Homo sapiens)
PF00782
(DSPc)
PF10409
(PTEN_C2)
5 PRO A 190
VAL A 191
ALA A 192
PHE A 278
GLY A 251
None
1.15A 4mmdA-5bugA:
undetectable
4mmdA-5bugA:
20.43
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.
5bv9 CELLULOSE
1,4-BETA-CELLOBIOSID
ASE


(Bacillus
pumilus)
PF02011
(Glyco_hydro_48)
5 TYR A 160
ASP A 153
ALA A 187
GLY A 614
PHE A 613
None
1.34A 4mmdA-5bv9A:
1.4
4mmdA-5bv9A:
21.06
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.
5e6s INTEGRIN ALPHA-L
INTEGRIN BETA-2


(Homo sapiens)
PF00092
(VWA)
PF00362
(Integrin_beta)
PF01839
(FG-GAP)
PF08441
(Integrin_alpha2)
PF17205
(PSI_integrin)
5 TYR A  69
VAL A 343
ALA A 342
GLY B 254
SER A 101
None
1.27A 4mmdA-5e6sA:
undetectable
4mmdA-5e6sA:
20.86
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.
5ho9 EXTRACELLULAR
ARABINANASE


(Geobacillus
stearothermophilus)
PF04616
(Glyco_hydro_43)
PF16369
(GH43_C)
5 TYR A 149
VAL A 180
ALA A 160
SER A 151
GLY A 162
None
1.15A 4mmdA-5ho9A:
undetectable
4mmdA-5ho9A:
21.23
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.
5hp6 EXTRACELLULAR
ARABINANASE


(Geobacillus
stearothermophilus)
PF04616
(Glyco_hydro_43)
PF13385
(Laminin_G_3)
PF16369
(GH43_C)
5 TYR A 149
VAL A 180
ALA A 160
SER A 151
GLY A 162
None
1.26A 4mmdA-5hp6A:
undetectable
4mmdA-5hp6A:
21.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5i6z SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER


(Homo sapiens)
PF00209
(SNF)
7 TYR A  95
ASP A  98
ALA A 173
TYR A 176
GLY A 338
SER A 439
GLY A 442
None
0.87A 4mmdA-5i6zA:
42.1
4mmdA-5i6zA:
31.21
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.
5m3x ANGIOTENSINOGEN

(Homo sapiens)
no annotation 5 VAL A  95
TYR A 357
GLY A 443
SER A 394
GLY A 355
None
1.26A 4mmdA-5m3xA:
1.2
4mmdA-5m3xA:
9.50
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.
5mac RIBULOSE-1,5-BISPHOS
PHATE
CARBOXYLASE-OXYGENAS
E TYPE III


(Methanococcoides
burtonii)
PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N)
5 TYR A 206
VAL A 213
ALA A 178
PHE A 232
SER A 174
None
1.36A 4mmdA-5macA:
undetectable
4mmdA-5macA:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mc5 XAA-PRO DIPEPTIDASE

(Homo sapiens)
no annotation 5 TYR A 382
ASP A 153
PRO A 327
GLY A 381
SER A 396
GOL  A 506 ( 4.5A)
None
None
None
None
1.24A 4mmdA-5mc5A:
undetectable
4mmdA-5mc5A:
9.44
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.
5olj DIPEPTIDYL PEPTIDASE
IV


(Porphyromonas
gingivalis)
PF00326
(Peptidase_S9)
PF00930
(DPPIV_N)
5 TYR A 597
TYR A 511
GLY A 562
SER A 593
GLY A 596
None
GOL  A 801 (-4.4A)
None
GOL  A 801 (-2.5A)
None
1.17A 4mmdA-5oljA:
undetectable
4mmdA-5oljA:
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.
5t6o POLY-BETA-HYDROXYBUT
ERATE POLYMERASE


(Cupriavidus
necator)
PF07167
(PhaC_N)
5 ASP A 254
PRO A 579
ALA A 215
TYR A 228
GLY A 206
None
1.31A 4mmdA-5t6oA:
undetectable
4mmdA-5t6oA:
22.74
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.
5t8t S-ADENOSYLMETHIONINE
SYNTHASE


(Neisseria
gonorrhoeae)
PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C)
5 ASP A 243
VAL A  11
ALA A 167
GLY A 245
GLY A  14
None
1.32A 4mmdA-5t8tA:
undetectable
4mmdA-5t8tA:
21.31
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.
5ukp DH522.1 FAB FRAGMENT
HEAVY CHAIN


(Macaca mulatta)
no annotation 5 ASP H  32
TYR H  97
GLY H  52
SER H  96
GLY H  95
None
1.07A 4mmdA-5ukpH:
undetectable
4mmdA-5ukpH:
11.84
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.
5van BETA-KLOTHO

(Homo sapiens)
no annotation 5 PRO A 242
VAL A 245
ALA A 246
TYR A 250
GLY A 270
None
1.25A 4mmdA-5vanA:
undetectable
4mmdA-5vanA:
9.62
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.
5vrb TRANSKETOLASE

(Neisseria
gonorrhoeae)
PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
5 TYR A 404
PRO A 426
VAL A 373
TYR A 401
GLY A 428
None
1.35A 4mmdA-5vrbA:
undetectable
4mmdA-5vrbA:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w0x TIP41-LIKE PROTEIN

(Mus musculus)
no annotation 5 ASP A 115
VAL A 248
ALA A 247
TYR A 214
SER A 216
None
1.22A 4mmdA-5w0xA:
undetectable
4mmdA-5w0xA:
9.21
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.
5wan PYRIMIDINE
MONOOXYGENASE RUTA


(Escherichia
coli)
PF00296
(Bac_luciferase)
5 VAL A   6
ALA A  46
GLY A  14
PHE A 335
SER A  48
None
None
None
GOL  A 406 (-4.9A)
None
1.31A 4mmdA-5wanA:
undetectable
4mmdA-5wanA:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wi9 -

(-)
no annotation 5 PRO A 242
VAL A 245
ALA A 246
TYR A 250
GLY A 270
None
1.24A 4mmdA-5wi9A:
undetectable
4mmdA-5wi9A:
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.
5x2o TASTE RECEPTOR, TYPE
1, MEMBER 3


(Oryzias latipes)
PF01094
(ANF_receptor)
5 VAL B 386
ALA B 389
GLY B  72
SER B 169
GLY B 146
None
1.33A 4mmdA-5x2oB:
0.9
4mmdA-5x2oB:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xuk HOLO-[ACYL-CARRIER-P
ROTEIN] SYNTHASE


(Helicobacter
pylori)
no annotation 5 VAL A   7
ALA A 108
PHE A  47
SER A  41
GLY A  45
None
1.16A 4mmdA-5xukA:
undetectable
4mmdA-5xukA:
9.46
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.
5y8p PROBABLE
3-HYDROXYISOBUTYRATE
DEHYDROGENASE


(Mycobacterium
tuberculosis)
no annotation 5 VAL A  45
ALA A  41
GLY A  13
SER A  38
GLY A  39
GOL  A 301 ( 4.9A)
None
None
None
None
1.24A 4mmdA-5y8pA:
undetectable
4mmdA-5y8pA:
11.88
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.
5zby HYDROGENASE
MATURATION PROTEASE
HYCI


(Thermococcus
kodakarensis)
no annotation 5 VAL A  33
ALA A  34
GLY A 124
PHE A  29
GLY A  18
None
1.03A 4mmdA-5zbyA:
undetectable
4mmdA-5zbyA:
11.36
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.
6ehn CARBOHYDRATE
ESTERASE MZ0003


(unidentified
prokaryotic
organism)
no annotation 5 PRO A  20
VAL A 350
ALA A 349
TYR A 351
GLY A 346
None
1.23A 4mmdA-6ehnA:
undetectable
4mmdA-6ehnA:
9.29
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.
6eot DIPEPTIDYL PEPTIDASE
8


(Homo sapiens)
no annotation 5 TYR A 759
TYR A 669
GLY A 723
SER A 755
GLY A 758
None
1.29A 4mmdA-6eotA:
undetectable
4mmdA-6eotA:
8.30
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.
6eu6 AMMONIUM TRANSPORTER

(Candidatus
Kuenenia
stuttgartiensis)
no annotation 5 PRO A 319
ALA A 322
GLY A  33
PHE A  34
GLY A 113
None
1.06A 4mmdA-6eu6A:
undetectable
4mmdA-6eu6A:
10.48