SIMILAR PATTERNS OF AMINO ACIDS FOR 1MXD_A_ACRA733_1

List of similar pattern of amino acids derived from ASSAM search

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

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


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


(Homo sapiens)
PF00494
(SQS_PSY)
4 SER A 356
THR A 359
ASN A 260
LEU A 259
None
1.13A 1mxdA-1ezfA:
undetectable
1mxdA-1ezfA:
20.17
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.
1f59 IMPORTIN BETA-1

(Homo sapiens)
PF03810
(IBN_N)
PF13513
(HEAT_EZ)
4 SER A  67
THR A  66
ASN A  63
LEU A  59
None
1.09A 1mxdA-1f59A:
undetectable
1mxdA-1f59A:
21.98
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.
1gg3 ERYTHROID MEMBRANE
PROTEIN 4.1R


(Homo sapiens)
PF00373
(FERM_M)
PF09379
(FERM_N)
PF09380
(FERM_C)
4 SER A 121
THR A 123
LEU A 175
ASP A 174
None
1.34A 1mxdA-1gg3A:
undetectable
1mxdA-1gg3A:
19.60
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.
1ja9 1,3,6,8-TETRAHYDROXY
NAPHTHALENE
REDUCTASE


(Magnaporthe
grisea)
PF13561
(adh_short_C2)
4 SER A 163
THR A 162
ASN A 138
LEU A 137
None
NDP  A 402 (-4.2A)
None
NDP  A 402 (-4.4A)
1.37A 1mxdA-1ja9A:
undetectable
1mxdA-1ja9A:
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.
1k2p TYROSINE-PROTEIN
KINASE BTK


(Homo sapiens)
PF07714
(Pkinase_Tyr)
4 SER A 553
THR A 552
LEU A 547
ASP A 548
None
1.23A 1mxdA-1k2pA:
undetectable
1mxdA-1k2pA:
18.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ktw IOTA-CARRAGEENASE

(Alteromonas sp.
ATCC 43554)
PF12708
(Pectate_lyase_3)
4 SER A 294
THR A 384
ASN A 292
ASP A 382
None
1.12A 1mxdA-1ktwA:
undetectable
1mxdA-1ktwA:
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.
1lua METHYLENE
TETRAHYDROMETHANOPTE
RIN DEHYDROGENASE


(Methylobacterium
extorquens)
PF09176
(Mpt_N)
4 THR A 102
ASN A 100
LEU A  94
ASP A  95
NAP  A 456 (-3.7A)
None
None
None
1.31A 1mxdA-1luaA:
undetectable
1mxdA-1luaA:
22.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mwo ALPHA AMYLASE

(Pyrococcus
woesei)
PF00128
(Alpha-amylase)
PF09154
(DUF1939)
6 SER A 132
THR A 140
ASN A 142
LEU A 144
ASP A 145
TRP A 171
None
0.21A 1mxdA-1mwoA:
67.0
1mxdA-1mwoA:
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.
1od5 GLYCININ

(Glycine max)
PF00190
(Cupin_1)
4 SER A 150
ASN A 154
LEU A 156
ASP A 157
None
1.33A 1mxdA-1od5A:
3.7
1mxdA-1od5A:
22.93
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.
1qgr PROTEIN (IMPORTIN
BETA SUBUNIT)


(Homo sapiens)
PF03810
(IBN_N)
PF13513
(HEAT_EZ)
4 SER A  67
THR A  66
ASN A  63
LEU A  59
None
1.08A 1mxdA-1qgrA:
undetectable
1mxdA-1qgrA:
17.45
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.
1rmg RHAMNOGALACTURONASE
A


(Aspergillus
aculeatus)
PF00295
(Glyco_hydro_28)
4 THR A 243
ASN A 217
LEU A 391
ASP A 390
None
1.37A 1mxdA-1rmgA:
undetectable
1mxdA-1rmgA:
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.
1slc BOVINE GALECTIN-1

(Bos taurus)
PF00337
(Gal-bind_lectin)
4 SER A  90
THR A  97
ASN A  92
ASP A  95
None
1.30A 1mxdA-1slcA:
undetectable
1mxdA-1slcA:
16.22
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.
1tnr TUMOR NECROSIS
FACTOR BETA


(Homo sapiens)
PF00229
(TNF)
4 SER A 148
THR A 149
ASN A  63
LEU A  44
None
1.32A 1mxdA-1tnrA:
undetectable
1mxdA-1tnrA:
15.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2aeu HYPOTHETICAL PROTEIN
MJ0158


(Methanocaldococcus
jannaschii)
PF03841
(SelA)
4 SER A  86
THR A  85
ASN A  83
LEU A 243
SO4  A1002 ( 4.6A)
SO4  A1001 (-2.7A)
None
None
1.38A 1mxdA-2aeuA:
undetectable
1mxdA-2aeuA:
23.12
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.
2amc PHENYLALANYL-TRNA
SYNTHETASE ALPHA
CHAIN


(Thermus
thermophilus)
PF01409
(tRNA-synt_2d)
4 SER A 180
THR A 179
ASN A 133
LEU A 174
TYR  A 888 (-2.7A)
None
None
None
1.36A 1mxdA-2amcA:
undetectable
1mxdA-2amcA:
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.
2cvo PUTATIVE
SEMIALDEHYDE
DEHYDROGENASE


(Oryza sativa)
PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC)
4 THR A 353
ASN A 383
LEU A 384
ASP A 382
None
0.81A 1mxdA-2cvoA:
undetectable
1mxdA-2cvoA:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dy0 ADENINE
PHOSPHORIBOSYLTRANSF
ERASE


(Escherichia
coli)
PF00156
(Pribosyltran)
4 SER A  33
THR A  32
LEU A 128
ASP A 127
None
0.94A 1mxdA-2dy0A:
undetectable
1mxdA-2dy0A:
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.
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT


(Escherichia
coli)
PF00456
(Transketolase_N)
4 SER A 220
ASN A 252
LEU A 250
ASP A 251
None
1.33A 1mxdA-2g28A:
undetectable
1mxdA-2g28A:
19.60
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.
2i3a N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE
REDUCTASE


(Mycobacterium
tuberculosis)
PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC)
4 THR A 290
ASN A 320
LEU A 321
ASP A 319
None
0.83A 1mxdA-2i3aA:
undetectable
1mxdA-2i3aA:
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.
2j5a 30S RIBOSOMAL
PROTEIN S6


(Aquifex
aeolicus)
PF01250
(Ribosomal_S6)
4 ASN A  97
LEU A  82
ASP A  83
TRP A  95
None
1.35A 1mxdA-2j5aA:
undetectable
1mxdA-2j5aA:
12.29
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.
2kny LRP-1, LINKER, APO-E

(Homo sapiens)
PF00057
(Ldl_recept_a)
4 SER A   2
LEU A  26
ASP A  28
TRP A  25
None
None
CA  A  81 (-2.5A)
None
1.35A 1mxdA-2knyA:
undetectable
1mxdA-2knyA:
10.19
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.
2lio UNCHARACTERIZED
PROTEIN


(Bacteroides
fragilis)
no annotation 4 SER A  16
THR A  15
LEU A  11
ASP A  94
None
1.36A 1mxdA-2lioA:
undetectable
1mxdA-2lioA:
15.17
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.
2ou6 HYPOTHETICAL PROTEIN

(Deinococcus
radiodurans)
PF04978
(DUF664)
4 THR A   3
ASN A   5
LEU A   8
ASP A  26
None
1.32A 1mxdA-2ou6A:
undetectable
1mxdA-2ou6A:
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.
2p13 CBS DOMAIN

(Nitrosomonas
europaea)
PF03471
(CorC_HlyC)
4 SER A 450
THR A 471
ASP A 446
TRP A 448
None
1.20A 1mxdA-2p13A:
undetectable
1mxdA-2p13A:
11.26
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.
2p57 GTPASE-ACTIVATING
PROTEIN ZNF289


(Homo sapiens)
PF01412
(ArfGap)
4 SER A  35
THR A  66
ASP A  69
TRP A  72
UNX  A 204 (-3.2A)
None
None
None
1.17A 1mxdA-2p57A:
undetectable
1mxdA-2p57A:
15.40
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.
2p9j HYPOTHETICAL PROTEIN
AQ2171


(Aquifex
aeolicus)
PF08282
(Hydrolase_3)
4 THR A  21
ASN A  38
LEU A  40
ASP A  41
None
1.16A 1mxdA-2p9jA:
undetectable
1mxdA-2p9jA:
17.07
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.
2q49 PROBABLE
N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE
REDUCTASE


(Arabidopsis
thaliana)
PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC)
4 THR A 297
ASN A 327
LEU A 328
ASP A 326
None
0.86A 1mxdA-2q49A:
undetectable
1mxdA-2q49A:
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.
2rhq PHENYLALANYL-TRNA
SYNTHETASE ALPHA
CHAIN


(Staphylococcus
haemolyticus)
PF01409
(tRNA-synt_2d)
4 SER A 174
THR A 173
ASN A 142
LEU A 168
GAX  A 352 (-2.8A)
None
None
None
1.34A 1mxdA-2rhqA:
undetectable
1mxdA-2rhqA:
20.28
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.
2whl BETA-MANNANASE

(Salipaludibacillus
agaradhaerens)
PF00150
(Cellulase)
4 SER A 259
THR A 258
ASN A 256
ASP A 264
None
None
MAN  A1301 (-3.6A)
None
1.24A 1mxdA-2whlA:
9.2
1mxdA-2whlA:
22.52
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.
2xym RNA-DIRECTED RNA
POLYMERASE


(Hepacivirus C)
PF00998
(RdRP_3)
4 SER A 453
ASN A 455
LEU A 457
ASP A 458
None
1.30A 1mxdA-2xymA:
undetectable
1mxdA-2xymA:
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.
2yg1 CELLULOSE
1,4-BETA-CELLOBIOSID
ASE


(Heterobasidion
annosum)
PF00840
(Glyco_hydro_7)
4 SER A 167
THR A 171
LEU A  34
ASP A  35
None
PCA  A   1 ( 4.9A)
None
None
1.28A 1mxdA-2yg1A:
undetectable
1mxdA-2yg1A:
19.75
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.
2z7x TOLL-LIKE RECEPTOR
2, VARIABLE
LYMPHOCYTE RECEPTOR
B


(Eptatretus
burgeri;
Homo sapiens)
PF11921
(DUF3439)
PF13855
(LRR_8)
4 SER A  85
THR A  84
ASN A  62
LEU A  43
None
1.36A 1mxdA-2z7xA:
undetectable
1mxdA-2z7xA:
20.90
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.
2zzj GLUCURONAN LYASE A

(Trichoderma
reesei)
PF14099
(Polysacc_lyase)
4 SER A  28
THR A  35
LEU A  38
ASP A 222
None
None
None
CA  A 239 (-2.2A)
1.38A 1mxdA-2zzjA:
undetectable
1mxdA-2zzjA:
20.05
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.
3a9s D-ARABINOSE
ISOMERASE


(Aeribacillus
pallidus)
PF02952
(Fucose_iso_C)
PF07881
(Fucose_iso_N1)
PF07882
(Fucose_iso_N2)
4 SER A 184
ASN A 345
LEU A 346
ASP A 344
None
1.30A 1mxdA-3a9sA:
undetectable
1mxdA-3a9sA:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3au0 CLUMPING FACTOR B

(Staphylococcus
aureus)
PF10425
(SdrG_C_C)
4 SER A 276
ASN A 278
LEU A 301
ASP A 299
None
1.33A 1mxdA-3au0A:
undetectable
1mxdA-3au0A:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dip ENOLASE

(unidentified)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
4 SER A  64
THR A  63
ASP A  90
TRP A  94
None
0.99A 1mxdA-3dipA:
7.6
1mxdA-3dipA:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eo7 PUTATIVE
NITROREDUCTASE


(Trichormus
variabilis)
PF00881
(Nitroreductase)
4 SER A 158
THR A 159
LEU A 239
ASP A 238
None
1.33A 1mxdA-3eo7A:
undetectable
1mxdA-3eo7A:
22.46
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.
3fs1 HEPATOCYTE NUCLEAR
FACTOR 4-ALPHA


(Homo sapiens)
PF00104
(Hormone_recep)
4 SER A 158
THR A 157
ASN A 238
LEU A 236
None
None
None
MYR  A 500 (-3.7A)
1.35A 1mxdA-3fs1A:
undetectable
1mxdA-3fs1A:
18.57
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.
3gsz RNA-DIRECTED RNA
POLYMERASE


(Hepacivirus C)
PF00998
(RdRP_3)
4 SER A 453
ASN A 455
LEU A 457
ASP A 458
None
1.27A 1mxdA-3gszA:
undetectable
1mxdA-3gszA:
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.
3h41 NLP/P60 FAMILY
PROTEIN


(Bacillus cereus)
PF00877
(NLPC_P60)
4 SER A 165
THR A 148
LEU A 192
ASP A 196
None
1.33A 1mxdA-3h41A:
undetectable
1mxdA-3h41A:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i44 ALDEHYDE
DEHYDROGENASE


(Bartonella
henselae)
PF00171
(Aldedh)
4 SER A  62
THR A  61
LEU A 166
TRP A  58
None
1.26A 1mxdA-3i44A:
undetectable
1mxdA-3i44A:
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.
3iru PHOSHONOACETALDEHYDE
HYDROLASE LIKE
PROTEIN


(Oleispira
antarctica)
PF13419
(HAD_2)
4 SER A 155
THR A 156
LEU A  17
TRP A  19
None
NA  A 301 (-4.7A)
None
None
1.34A 1mxdA-3iruA:
undetectable
1mxdA-3iruA:
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.
3jxf RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE ZETA


(Homo sapiens)
PF00194
(Carb_anhydrase)
4 SER A 237
THR A 236
LEU A 176
TRP A 246
None
1.08A 1mxdA-3jxfA:
undetectable
1mxdA-3jxfA:
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.
3kfo NUCLEOPORIN NUP133

(Saccharomyces
cerevisiae)
no annotation 4 SER A1051
ASN A1049
LEU A1058
ASP A1055
None
1.10A 1mxdA-3kfoA:
undetectable
1mxdA-3kfoA:
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.
3kkj AMINE OXIDASE,
FLAVIN-CONTAINING


(Pseudomonas
syringae group
genomosp. 3)
PF01593
(Amino_oxidase)
PF13450
(NAD_binding_8)
4 SER A 218
ASN A 216
LEU A  51
ASP A  52
None
1.28A 1mxdA-3kkjA:
undetectable
1mxdA-3kkjA:
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.
3l0i DRRA

(Legionella
pneumophila)
PF14860
(DrrA_P4M)
4 SER A 358
ASN A 355
LEU A 352
TRP A 353
None
1.17A 1mxdA-3l0iA:
undetectable
1mxdA-3l0iA:
19.91
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.
3lqk DIPICOLINATE
SYNTHASE SUBUNIT B


(Bacillus
halodurans)
PF02441
(Flavoprotein)
4 SER A 129
THR A  94
ASN A 131
ASP A 132
None
PO4  A 200 (-3.3A)
None
None
1.34A 1mxdA-3lqkA:
undetectable
1mxdA-3lqkA:
18.33
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.
3n2z LYSOSOMAL PRO-X
CARBOXYPEPTIDASE


(Homo sapiens)
PF05577
(Peptidase_S28)
4 THR B 461
ASN B 463
LEU B 465
ASP B 466
None
1.35A 1mxdA-3n2zB:
undetectable
1mxdA-3n2zB:
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.
3og4 INTERLEUKIN-29

(Homo sapiens)
PF15177
(IL28A)
4 SER A 149
THR A 151
ASN A 153
LEU A 157
None
1.34A 1mxdA-3og4A:
undetectable
1mxdA-3og4A:
16.20
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.
3pco PHENYLALANYL-TRNA
SYNTHETASE, ALPHA
SUBUNIT


(Escherichia
coli)
PF01409
(tRNA-synt_2d)
PF02912
(Phe_tRNA-synt_N)
4 SER A 171
THR A 170
ASN A 139
LEU A 165
PHE  A 980 (-3.5A)
None
None
None
1.34A 1mxdA-3pcoA:
undetectable
1mxdA-3pcoA:
19.86
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.
3pn1 DNA LIGASE

(Haemophilus
influenzae)
PF01653
(DNA_ligase_aden)
4 SER A 217
THR A 216
ASN A 214
ASP A 212
None
1.31A 1mxdA-3pn1A:
undetectable
1mxdA-3pn1A:
20.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3qgv ALPHA AMYLASE

(Pyrococcus
woesei)
PF00128
(Alpha-amylase)
PF09154
(DUF1939)
6 SER A 132
THR A 140
ASN A 142
LEU A 144
ASP A 145
TRP A 171
None
0.20A 1mxdA-3qgvA:
65.1
1mxdA-3qgvA:
86.67
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.
3r7t ADENYLOSUCCINATE
SYNTHETASE


(Campylobacter
jejuni)
PF00709
(Adenylsucc_synt)
4 SER A 405
THR A 406
LEU A 331
ASP A 332
None
1.37A 1mxdA-3r7tA:
undetectable
1mxdA-3r7tA:
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.
3slk POLYKETIDE SYNTHASE
EXTENDER MODULE 2


(Saccharopolyspora
spinosa)
PF08240
(ADH_N)
PF08659
(KR)
PF13602
(ADH_zinc_N_2)
4 SER A 645
ASN A 660
LEU A 663
ASP A 664
None
NDP  A 802 ( 4.3A)
None
None
0.94A 1mxdA-3slkA:
2.4
1mxdA-3slkA:
18.66
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.
3so4 METHIONINE-ADENOSYLT
RANSFERASE


(Entamoeba
histolytica)
PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C)
4 SER A 101
THR A  59
ASN A  61
ASP A  36
None
1.24A 1mxdA-3so4A:
undetectable
1mxdA-3so4A:
19.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vsm OCCLUSION-DERIVED
VIRUS ENVELOPE
PROTEIN E66


(Autographa
californica
multiple
nucleopolyhedrovirus)
PF04850
(Baculo_E66)
4 SER A 115
THR A 109
ASN A 113
ASP A 112
None
1.38A 1mxdA-3vsmA:
undetectable
1mxdA-3vsmA:
21.22
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.
3w6m 458AA LONG
HYPOTHETICAL
ENDO-1,4-BETA-GLUCAN
ASE


(Pyrococcus
horikoshii)
PF00150
(Cellulase)
4 THR A 257
ASN A 230
LEU A 231
ASP A 228
None
1.25A 1mxdA-3w6mA:
10.8
1mxdA-3w6mA:
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.
3zdh ACETYLCHOLINE
BINDING PROTEIN


(Lymnaea
stagnalis)
PF02931
(Neur_chan_LBD)
4 SER A 198
THR A 177
ASN A 200
LEU A 174
None
1.17A 1mxdA-3zdhA:
undetectable
1mxdA-3zdhA:
17.76
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.
4az3 LYSOSOMAL PROTECTIVE
PROTEIN 32 KDA CHAIN


(Homo sapiens)
PF00450
(Peptidase_S10)
4 SER A 181
ASN A 186
LEU A 190
ASP A 187
None
CD  B1454 (-3.6A)
None
None
1.14A 1mxdA-4az3A:
undetectable
1mxdA-4az3A:
23.15
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.
4c9m CYTOCHROME P450

(Novosphingobium
aromaticivorans)
PF00067
(p450)
4 SER A 157
THR A 158
ASN A 263
ASP A 259
None
1.16A 1mxdA-4c9mA:
undetectable
1mxdA-4c9mA:
22.79
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.
4dg5 PHOSPHOGLYCERATE
KINASE


(Staphylococcus
aureus)
PF00162
(PGK)
4 SER A  58
THR A 118
LEU A  17
TRP A 139
None
1.38A 1mxdA-4dg5A:
undetectable
1mxdA-4dg5A:
23.97
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.
4ecm GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E


(Bacillus
anthracis)
PF00483
(NTP_transferase)
4 THR A 218
ASN A 109
LEU A 106
ASP A 108
None
DAU  A 301 (-3.3A)
DAU  A 301 (-3.8A)
DAU  A 301 (-3.5A)
1.28A 1mxdA-4ecmA:
undetectable
1mxdA-4ecmA:
21.56
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.
4hi4 AEROTAXIS TRANSDUCER
AER2


(Pseudomonas
aeruginosa)
PF13188
(PAS_8)
4 SER A 183
THR A 201
ASN A 181
ASP A 180
None
1.12A 1mxdA-4hi4A:
undetectable
1mxdA-4hi4A:
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.
4k8l PROLINE RACEMASE

(Ochrobactrum
anthropi)
PF05544
(Pro_racemase)
4 SER A 154
THR A 164
LEU A 151
ASP A 166
None
1.31A 1mxdA-4k8lA:
undetectable
1mxdA-4k8lA:
21.91
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.
4l7t NANU SIALIC ACID
BINDING PROTEIN


(Bacteroides
fragilis)
PF07980
(SusD_RagB)
PF14322
(SusD-like_3)
4 THR A 156
ASN A 107
LEU A 153
ASP A 154
None
1.34A 1mxdA-4l7tA:
undetectable
1mxdA-4l7tA:
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.
4l95 GAMMA-GLUTAMYL
HYDROLASE


(Danio rerio)
no annotation 4 THR E 204
ASN E 194
LEU E 134
TRP E 217
None
1.26A 1mxdA-4l95E:
undetectable
1mxdA-4l95E:
19.37
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.
4mt4 CMEC

(Campylobacter
jejuni)
PF02321
(OEP)
4 SER A 389
ASN A 385
LEU A 381
ASP A 384
None
1.30A 1mxdA-4mt4A:
undetectable
1mxdA-4mt4A:
22.77
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.
4mwt LYSOSOMAL PROTECTIVE
PROTEIN


(Homo sapiens)
PF00450
(Peptidase_S10)
4 SER A 181
ASN A 186
LEU A 190
ASP A 187
SER  A 181 ( 0.0A)
ASN  A 186 ( 0.6A)
LEU  A 190 ( 0.6A)
ASP  A 187 ( 0.6A)
1.16A 1mxdA-4mwtA:
undetectable
1mxdA-4mwtA:
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.
4n81 INOSITOL
MONOPHOSPHATASE


(Zymomonas
mobilis)
PF00459
(Inositol_P)
4 SER A 194
THR A 144
LEU A 200
ASP A 199
None
1.25A 1mxdA-4n81A:
undetectable
1mxdA-4n81A:
19.86
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.
4npc SORBITOL
DEHYDROGENASE


(Brucella suis)
PF13561
(adh_short_C2)
4 THR A 117
ASN A 119
ASP A 115
TRP A 114
None
1.30A 1mxdA-4npcA:
2.2
1mxdA-4npcA:
18.66
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.
4r7a HISTONE-BINDING
PROTEIN RBBP4


(Homo sapiens)
PF00400
(WD40)
PF12265
(CAF1C_H4-bd)
4 SER B  62
THR B  54
LEU B  50
ASP B  52
None
1.36A 1mxdA-4r7aB:
undetectable
1mxdA-4r7aB:
23.78
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.
4r8l UNCHARACTERIZED
PROTEIN


(Cavia porcellus)
PF00710
(Asparaginase)
4 SER A 325
THR A 324
LEU A 321
ASP A 322
None
1.23A 1mxdA-4r8lA:
undetectable
1mxdA-4r8lA:
22.72
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.
4wd9 NISIN BIOSYNTHESIS
PROTEIN NISB


(Lactococcus
lactis)
PF04738
(Lant_dehydr_N)
PF14028
(Lant_dehydr_C)
4 SER A 525
THR A 524
ASN A 146
LEU A 533
None
1.21A 1mxdA-4wd9A:
undetectable
1mxdA-4wd9A:
18.35
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.
4wk4 INTEGRIN ALPHA-5

(Homo sapiens)
PF01839
(FG-GAP)
4 THR A 245
ASN A 266
LEU A 273
ASP A 247
None
NAG  A 519 (-1.6A)
NAG  A 519 (-4.4A)
CA  A 501 (-2.1A)
1.33A 1mxdA-4wk4A:
undetectable
1mxdA-4wk4A:
20.93
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.
4xmm NUCLEOPORIN NUP145

(Saccharomyces
cerevisiae)
PF12110
(Nup96)
4 SER B 522
THR B 523
LEU B 191
ASP B 192
None
1.35A 1mxdA-4xmmB:
undetectable
1mxdA-4xmmB:
20.15
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.
4z5y COENZYME PQQ
SYNTHESIS PROTEIN B


(Pseudomonas
putida)
PF12706
(Lactamase_B_2)
4 SER A  57
ASN A  55
LEU A  87
ASP A  88
None
1.06A 1mxdA-4z5yA:
undetectable
1mxdA-4z5yA:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aw4 NA, K-ATPASE ALPHA
SUBUNIT


(Squalus
acanthias)
PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF13246
(Cation_ATPase)
4 SER A 775
ASN A 771
LEU A 767
ASP A 770
None
1.30A 1mxdA-5aw4A:
undetectable
1mxdA-5aw4A:
17.46
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.
5bn4 NEQ263
V-TYPE ATP SYNTHASE
ALPHA CHAIN


(Nanoarchaeum
equitans)
PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N)
PF16886
(ATP-synt_ab_Xtn)
4 SER A  96
THR A  94
ASN B 100
LEU A  87
None
0.99A 1mxdA-5bn4A:
undetectable
1mxdA-5bn4A:
22.36
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.
5d0f UNCHARACTERIZED
PROTEIN


([Candida]
glabrata)
PF06202
(GDE_C)
PF14699
(hGDE_N)
PF14701
(hDGE_amylase)
PF14702
(hGDE_central)
4 THR A 236
LEU A 199
ASP A 197
TRP A 242
None
1.31A 1mxdA-5d0fA:
11.9
1mxdA-5d0fA:
13.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dne L-ASPARAGINASE

(Cavia porcellus)
PF00710
(Asparaginase)
4 SER A 325
THR A 324
LEU A 321
ASP A 322
None
1.18A 1mxdA-5dneA:
undetectable
1mxdA-5dneA:
21.98
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.
5e9c HEPARANASE

(Homo sapiens)
PF03662
(Glyco_hydro_79n)
4 SER A 490
THR A 358
LEU A 406
ASP A 403
None
0.95A 1mxdA-5e9cA:
4.3
1mxdA-5e9cA:
22.08
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.
5fhx INTERLEUKIN-4

(Homo sapiens)
PF00727
(IL4)
4 THR A  50
LEU A  86
ASP A  87
TRP A  91
None
1.26A 1mxdA-5fhxA:
undetectable
1mxdA-5fhxA:
14.00
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.
5gkq ALYGC MUTANT - R241A

(Paraglaciecola
chathamensis)
PF14592
(Chondroitinas_B)
4 THR A 150
ASN A 146
ASP A 124
TRP A 126
None
1.23A 1mxdA-5gkqA:
undetectable
1mxdA-5gkqA:
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.
5h3h ABHYDROLASE
DOMAIN-CONTAINING
PROTEIN


(Exiguobacterium
antarcticum)
PF00561
(Abhydrolase_1)
PF08386
(Abhydrolase_4)
4 SER A  62
ASN A  33
LEU A 180
ASP A 183
None
0.89A 1mxdA-5h3hA:
undetectable
1mxdA-5h3hA:
22.22
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.
5j84 DIHYDROXY-ACID
DEHYDRATASE


(Rhizobium
leguminosarum)
PF00920
(ILVD_EDD)
4 SER A 133
ASN A 103
LEU A 563
ASP A 562
KCX  A 129 ( 2.8A)
None
None
None
1.14A 1mxdA-5j84A:
undetectable
1mxdA-5j84A:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j9h ENVELOPMENT
POLYPROTEIN


(Puumala
orthohantavirus)
PF01561
(Hanta_G2)
4 SER A 838
THR A 836
LEU A 974
ASP A 973
None
1.30A 1mxdA-5j9hA:
undetectable
1mxdA-5j9hA:
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.
5kxi NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4


(Homo sapiens)
PF02931
(Neur_chan_LBD)
PF02932
(Neur_chan_memb)
4 SER A 294
THR A 298
LEU A 362
ASP A 358
None
1.36A 1mxdA-5kxiA:
undetectable
1mxdA-5kxiA:
22.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5la7 HEPARANASE

(Homo sapiens)
PF03662
(Glyco_hydro_79n)
4 SER A 490
THR A 358
LEU A 406
ASP A 403
None
0.99A 1mxdA-5la7A:
5.2
1mxdA-5la7A:
21.11
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.
5mc9 LAMININ SUBUNIT
ALPHA-1
LAMININ SUBUNIT
BETA-1


(Mus musculus)
PF00054
(Laminin_G_1)
PF06009
(Laminin_II)
no annotation
4 SER B1783
THR B1784
LEU A2478
ASP A2477
None
1.38A 1mxdA-5mc9B:
undetectable
1mxdA-5mc9B:
9.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mjs MICROTUBULE
INTEGRITY PROTEIN
MAL3


(Schizosaccharomyces
pombe)
no annotation 4 SER D  17
THR D  16
ASN D  13
LEU D   9
None
1.28A 1mxdA-5mjsD:
undetectable
1mxdA-5mjsD:
12.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5omn NANOBODY (VHH)
NANO-27


(Vicugna pacos)
PF07686
(V-set)
4 SER C  30
ASN C  32
LEU C 100
ASP C  97
None
1.34A 1mxdA-5omnC:
undetectable
1mxdA-5omnC:
13.79
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.
5szq PROTOCADHERIN
GAMMA-A4


(Mus musculus)
PF00028
(Cadherin)
4 SER A 348
ASN A 313
LEU A 404
ASP A 398
None
CA  A 712 (-3.2A)
None
CA  A 712 (-2.9A)
1.33A 1mxdA-5szqA:
undetectable
1mxdA-5szqA:
19.81
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.
5t3j INOSITOL
MONOPHOSPHATASE


(Medicago
truncatula)
PF00459
(Inositol_P)
4 SER A 254
THR A 204
LEU A 260
ASP A 259
None
1.13A 1mxdA-5t3jA:
undetectable
1mxdA-5t3jA:
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.
5thm ESTERASE-6

(Drosophila
melanogaster)
PF00135
(COesterase)
4 SER A 314
ASN A 216
LEU A 218
ASP A 219
None
1.29A 1mxdA-5thmA:
undetectable
1mxdA-5thmA:
22.15
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.
5txr 5-AMINOLEVULINATE
SYNTHASE,
MITOCHONDRIAL


(Saccharomyces
cerevisiae)
no annotation 4 SER B 393
THR B 392
LEU B 288
TRP B 516
None
1.30A 1mxdA-5txrB:
undetectable
1mxdA-5txrB:
10.79
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.
5ujv ABSCISIC ACID
RECEPTOR


(Escherichia
coli)
no annotation 4 SER A 200
THR A 199
ASN A 197
LEU A 193
None
1.37A 1mxdA-5ujvA:
undetectable
1mxdA-5ujvA:
16.78
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.
5v8f ORIGIN RECOGNITION
COMPLEX SUBUNIT 1
ORIGIN RECOGNITION
COMPLEX SUBUNIT 5


(Saccharomyces
cerevisiae)
PF00004
(AAA)
PF13401
(AAA_22)
PF14630
(ORC5_C)
4 SER E 180
ASN A 871
LEU A 874
ASP A 875
None
1.10A 1mxdA-5v8fE:
undetectable
1mxdA-5v8fE:
20.89
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.
5wsz LPMO10A

(Bacillus
thuringiensis)
PF03067
(LPMO_10)
4 SER A  11
LEU A 144
ASP A 163
TRP A  65
None
1.19A 1mxdA-5wszA:
undetectable
1mxdA-5wszA:
17.58
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.
6cip PYRUVATE-FERREDOXIN
OXIDOREDUCTASE


(Moorella
thermoacetica)
no annotation 4 SER A 143
THR A 174
LEU A   6
ASP A   7
None
1.26A 1mxdA-6cipA:
undetectable
1mxdA-6cipA:
9.43
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.
6f91 PUTATIVE
ALPHA-1,2-MANNOSIDAS
E


(Bacteroides
thetaiotaomicron)
no annotation 4 SER A  67
THR A  69
ASP A 344
TRP A 383
None
EDO  A 804 (-4.1A)
None
EDO  A 804 ( 4.3A)
1.29A 1mxdA-6f91A:
undetectable
1mxdA-6f91A:
10.57