SIMILAR PATTERNS OF AMINO ACIDS FOR 4UBS_A_DIFA503

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.
1e4a L-FUCULOSE
1-PHOSPHATE ALDOLASE


(Escherichia
coli)
PF00596
(Aldolase_II)
4 ALA P 100
LEU P 182
LEU P 185
ILE P 103
None
0.72A 4ubsA-1e4aP:
undetectable
4ubsA-1e4aP:
17.78
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.
1g8p MAGNESIUM-CHELATASE
38 KDA SUBUNIT


(Rhodobacter
capsulatus)
PF01078
(Mg_chelatase)
4 ALA A  61
LEU A  36
LEU A  37
ILE A  26
None
0.65A 4ubsA-1g8pA:
undetectable
4ubsA-1g8pA:
25.18
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.
1iq6 (R)-SPECIFIC
ENOYL-COA HYDRATASE


(Aeromonas
caviae)
PF01575
(MaoC_dehydratas)
4 ALA A  95
LEU A  64
LEU A  65
ILE A 115
None
0.84A 4ubsA-1iq6A:
undetectable
4ubsA-1iq6A:
18.16
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.
1ka9 IMIDAZOLE GLYCEROL
PHOSPHATE SYNTHASE


(Thermus
thermophilus)
PF00117
(GATase)
4 LEU H  43
LEU H 173
LEU H 172
ILE H  81
None
0.81A 4ubsA-1ka9H:
0.0
4ubsA-1ka9H:
19.90
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.
1lv2 HEPATOCYTE NUCLEAR
FACTOR 4-GAMMA


(Homo sapiens)
PF00104
(Hormone_recep)
4 ALA A 133
LEU A 196
LEU A 195
ILE A 132
None
PLM  A 328 (-3.7A)
None
None
0.74A 4ubsA-1lv2A:
undetectable
4ubsA-1lv2A:
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.
1n97 CYP175A1

(Thermus
thermophilus)
PF00067
(p450)
4 THR A 225
ALA A 268
LEU A 271
ARG A 273
HEM  A 602 (-3.8A)
HEM  A 602 ( 4.0A)
HEM  A 602 ( 4.2A)
HEM  A 602 (-2.9A)
0.55A 4ubsA-1n97A:
33.2
4ubsA-1n97A:
28.67
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.
1nsl PROBABLE
ACETYLTRANSFERASE


(Bacillus
subtilis)
PF13302
(Acetyltransf_3)
4 ALA A 101
LEU A  26
LEU A  23
ILE A 100
None
0.80A 4ubsA-1nslA:
undetectable
4ubsA-1nslA:
19.26
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.
1ny5 TRANSCRIPTIONAL
REGULATOR (NTRC
FAMILY)


(Aquifex
aeolicus)
PF00072
(Response_reg)
PF00158
(Sigma54_activat)
4 ALA A  87
LEU A  52
LEU A  53
ILE A  84
None
0.85A 4ubsA-1ny5A:
0.0
4ubsA-1ny5A:
23.46
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.
1thm THERMITASE

(Thermoactinomyces
vulgaris)
PF00082
(Peptidase_S8)
4 ALA A  20
LEU A 237
LEU A 238
ILE A  18
None
0.68A 4ubsA-1thmA:
undetectable
4ubsA-1thmA:
19.49
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.
1tuo PUTATIVE
PHOSPHOMANNOMUTASE


(Thermus
thermophilus)
PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III)
4 LEU A  35
ALA A 133
LEU A 139
ILE A 128
None
0.86A 4ubsA-1tuoA:
undetectable
4ubsA-1tuoA:
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.
1wdw TRYPTOPHAN SYNTHASE
ALPHA CHAIN


(Pyrococcus
furiosus)
PF00290
(Trp_syntA)
5 LEU A 210
LEU A 246
LEU A 245
ARG A 203
ILE A   8
None
1.21A 4ubsA-1wdwA:
undetectable
4ubsA-1wdwA:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wle SERYL-TRNA
SYNTHETASE


(Bos taurus)
PF00587
(tRNA-synt_2b)
4 THR A 403
ALA A 405
LEU A 351
LEU A 350
None
0.85A 4ubsA-1wleA:
2.1
4ubsA-1wleA:
25.94
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.
1yle ARGININE
N-SUCCINYLTRANSFERAS
E, ALPHA CHAIN


(Pseudomonas
aeruginosa)
PF04958
(AstA)
4 THR A 236
LEU A 146
LEU A 147
ILE A 239
FMT  A 601 (-4.3A)
None
None
None
0.77A 4ubsA-1yleA:
undetectable
4ubsA-1yleA:
23.30
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.
1zu4 FTSY

(Mycoplasma
mycoides)
PF00448
(SRP54)
PF02881
(SRP54_N)
4 LEU A 196
ALA A 230
LEU A 228
ILE A 288
None
0.85A 4ubsA-1zu4A:
undetectable
4ubsA-1zu4A:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b9l PROPHENOLOXIDASE
ACTIVATING FACTOR


(Holotrichia
diomphalia)
PF00089
(Trypsin)
5 LEU A 209
ALA A 254
LEU A 256
LEU A 257
ILE A 240
None
1.04A 4ubsA-2b9lA:
undetectable
4ubsA-2b9lA:
23.02
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.
2cfm THERMOSTABLE DNA
LIGASE


(Pyrococcus
furiosus)
PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C)
4 LEU A  46
ALA A 174
LEU A 170
ILE A 175
None
0.80A 4ubsA-2cfmA:
undetectable
4ubsA-2cfmA:
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.
2ftw DIHYDROPYRIMIDINE
AMIDOHYDROLASE


(Dictyostelium
discoideum)
PF01979
(Amidohydro_1)
5 THR A 229
ALA A 254
LEU A 310
LEU A 314
ILE A 257
None
1.33A 4ubsA-2ftwA:
undetectable
4ubsA-2ftwA:
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.
2iqi HYPOTHETICAL PROTEIN
XCC0632


(Xanthomonas
campestris)
PF03886
(ABC_trans_aux)
4 LEU A  54
ALA A 150
LEU A 153
ILE A 127
None
0.79A 4ubsA-2iqiA:
undetectable
4ubsA-2iqiA:
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.
2j6h GLUCOSAMINE-FRUCTOSE
-6-PHOSPHATE
AMINOTRANSFERASE


(Escherichia
coli)
PF01380
(SIS)
PF13522
(GATase_6)
4 LEU A 448
THR A 406
ALA A 262
ILE A 263
None
0.76A 4ubsA-2j6hA:
undetectable
4ubsA-2j6hA:
23.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2jjp CYTOCHROME P450
113A1


(Saccharopolyspora
erythraea)
PF00067
(p450)
4 LEU A 238
THR A 110
LEU A 354
ILE A 111
HEM  A 412 ( 4.5A)
None
HEM  A 412 ( 4.2A)
None
0.86A 4ubsA-2jjpA:
40.6
4ubsA-2jjpA:
33.57
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.
2kic NITROGENASE GAMMA
SUBUNIT


(Azotobacter
vinelandii)
PF16844
(DIMCO_N)
4 ALA A  79
LEU A  30
LEU A  31
ILE A  82
None
0.79A 4ubsA-2kicA:
undetectable
4ubsA-2kicA:
14.58
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.
2lxx ACTIN-DEPOLYMERIZING
FACTOR 2, ISOFORM C


(Caenorhabditis
elegans)
PF00241
(Cofilin_ADF)
4 LEU A  18
ALA A  70
LEU A 121
ILE A  28
None
0.76A 4ubsA-2lxxA:
undetectable
4ubsA-2lxxA:
16.67
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.
2mzv CYSTATIN

(Sesamum indicum)
PF16845
(SQAPI)
4 THR A 131
LEU A 165
LEU A 164
ILE A 132
None
0.86A 4ubsA-2mzvA:
undetectable
4ubsA-2mzvA:
18.27
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.
2nq5 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE


(Streptococcus
mutans)
PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1)
4 LEU A 240
ALA A 215
LEU A 249
ILE A 158
None
0.78A 4ubsA-2nq5A:
undetectable
4ubsA-2nq5A:
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.
2nyx PROBABLE
TRANSCRIPTIONAL
REGULATORY PROTEIN,
RV1404


(Mycobacterium
tuberculosis)
PF01047
(MarR)
4 LEU A  69
ALA A 103
LEU A  54
LEU A  51
None
0.87A 4ubsA-2nyxA:
undetectable
4ubsA-2nyxA:
22.67
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.
2o8i HYPOTHETICAL PROTEIN
ATU2327


(Agrobacterium
fabrum)
PF09349
(OHCU_decarbox)
4 LEU A 158
ALA A  22
LEU A  33
ILE A  21
None
0.86A 4ubsA-2o8iA:
undetectable
4ubsA-2o8iA:
20.92
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.
2og7 ASPARAGINE OXYGENASE

(Streptomyces
coelicolor)
PF02668
(TauD)
4 LEU A 272
ALA A  75
LEU A  78
ARG A  79
None
0.73A 4ubsA-2og7A:
undetectable
4ubsA-2og7A:
25.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pq6 UDP-GLUCURONOSYL/UDP
-GLUCOSYLTRANSFERASE


(Medicago
truncatula)
PF00201
(UDPGT)
4 LEU A 289
ALA A 358
LEU A 356
ILE A 330
None
0.82A 4ubsA-2pq6A:
undetectable
4ubsA-2pq6A:
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.
2pu3 ENDONUCLEASE I

(Aliivibrio
salmonicida)
PF04231
(Endonuclease_1)
4 LEU A 185
ALA A 171
LEU A 175
ILE A 170
None
0.80A 4ubsA-2pu3A:
undetectable
4ubsA-2pu3A:
17.59
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.
2vr2 DIHYDROPYRIMIDINASE

(Homo sapiens)
PF01979
(Amidohydro_1)
5 THR A 230
ALA A 255
LEU A 311
LEU A 315
ILE A 258
None
1.31A 4ubsA-2vr2A:
undetectable
4ubsA-2vr2A:
23.42
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.
2wc7 ALPHA AMYLASE,
CATALYTIC REGION


(Nostoc
punctiforme)
PF00128
(Alpha-amylase)
PF11941
(DUF3459)
4 LEU A 454
ALA A 430
LEU A 474
ILE A 429
None
0.86A 4ubsA-2wc7A:
undetectable
4ubsA-2wc7A:
24.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2z36 CYTOCHROME P450 TYPE
COMPACTIN
3'',4''-HYDROXYLASE


(Nonomuraea
recticatena)
PF00067
(p450)
5 LEU A  96
THR A 249
ALA A 292
ARG A 298
ILE A 397
HEM  A 450 ( 4.2A)
HEM  A 450 ( 3.7A)
HEM  A 450 ( 4.0A)
HEM  A 450 ( 3.3A)
None
0.57A 4ubsA-2z36A:
48.7
4ubsA-2z36A:
50.97
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.
2zu8 MANNOSYL-3-PHOSPHOGL
YCERATE SYNTHASE


(Pyrococcus
horikoshii)
PF09488
(Osmo_MPGsynth)
4 ALA A 186
LEU A   3
LEU A   2
ILE A  46
None
0.84A 4ubsA-2zu8A:
undetectable
4ubsA-2zu8A:
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.
3d4o DIPICOLINATE
SYNTHASE SUBUNIT A


(Bacillus
halodurans)
PF01262
(AlaDh_PNT_C)
PF16924
(DpaA_N)
4 LEU A 122
ALA A  60
LEU A  62
LEU A  63
EDO  A 293 (-4.9A)
None
EDO  A 293 (-3.9A)
None
0.85A 4ubsA-3d4oA:
undetectable
4ubsA-3d4oA:
22.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3efs BIOTIN
[ACETYL-COA-CARBOXYL
ASE] LIGASE


(Aquifex
aeolicus)
PF02237
(BPL_C)
PF03099
(BPL_LplA_LipB)
5 LEU A  52
THR A  14
ALA A  28
LEU A 158
LEU A 155
None
BTN  A2001 (-4.0A)
None
None
None
1.12A 4ubsA-3efsA:
undetectable
4ubsA-3efsA:
21.57
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.
3fcr PUTATIVE
AMINOTRANSFERASE


(Ruegeria sp.
TM1040)
PF00202
(Aminotran_3)
4 ALA A 258
LEU A 256
LEU A 255
ILE A 284
None
0.87A 4ubsA-3fcrA:
undetectable
4ubsA-3fcrA:
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.
3fs1 HEPATOCYTE NUCLEAR
FACTOR 4-ALPHA


(Homo sapiens)
PF00104
(Hormone_recep)
4 ALA A 173
LEU A 236
LEU A 235
ILE A 172
None
MYR  A 500 (-3.7A)
None
None
0.74A 4ubsA-3fs1A:
undetectable
4ubsA-3fs1A:
20.76
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.
3iwf TRANSCRIPTION
REGULATOR RPIR
FAMILY


(Staphylococcus
epidermidis)
PF01418
(HTH_6)
4 LEU A  71
ALA A  23
LEU A  27
ILE A  22
None
0.82A 4ubsA-3iwfA:
undetectable
4ubsA-3iwfA:
12.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3j4s FTSZ/TUBULIN-RELATED
PROTEIN


(Bacillus
thuringiensis)
PF00091
(Tubulin)
4 LEU A 148
THR A 100
ALA A 104
LEU A 108
None
0.79A 4ubsA-3j4sA:
undetectable
4ubsA-3j4sA:
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.
3jua TRANSCRIPTIONAL
ENHANCER FACTOR
TEF-3


(Mus musculus)
no annotation 4 ALA A 405
LEU A 274
LEU A 277
ILE A 404
None
0.84A 4ubsA-3juaA:
undetectable
4ubsA-3juaA:
18.36
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.
3juj UDP-GLUCOSE
PYROPHOSPHORYLASE
(GALU)


(Helicobacter
pylori)
PF00483
(NTP_transferase)
4 THR A 146
ALA A 125
LEU A 128
ILE A 208
None
0.84A 4ubsA-3jujA:
undetectable
4ubsA-3jujA:
19.71
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.
3kw3 ALANINE RACEMASE

(Bartonella
henselae)
PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N)
4 THR A  69
ALA A  92
LEU A 113
LEU A 114
None
0.73A 4ubsA-3kw3A:
undetectable
4ubsA-3kw3A:
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.
3o4z TELOMERE LENGTH
REGULATION PROTEIN
TEL2


(Saccharomyces
cerevisiae)
PF10193
(Telomere_reg-2)
4 ALA A 480
LEU A 514
LEU A 511
ILE A 483
None
0.86A 4ubsA-3o4zA:
2.2
4ubsA-3o4zA:
20.67
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.
3olz GLUTAMATE RECEPTOR,
IONOTROPIC KAINATE 3


(Rattus
norvegicus)
PF01094
(ANF_receptor)
4 LEU A 248
ALA A 207
LEU A 236
ILE A 210
None
0.72A 4ubsA-3olzA:
undetectable
4ubsA-3olzA:
24.18
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.
3oop LIN2960 PROTEIN

(Listeria
innocua)
PF01047
(MarR)
4 THR A  58
LEU A  72
LEU A  73
ILE A  54
None
0.85A 4ubsA-3oopA:
undetectable
4ubsA-3oopA:
15.72
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.
3poa PUTATIVE
UNCHARACTERIZED
PROTEIN TB39.8


(Mycobacterium
tuberculosis)
PF00498
(FHA)
4 LEU A  87
ALA A  33
LEU A   8
ILE A  26
None
0.85A 4ubsA-3poaA:
undetectable
4ubsA-3poaA:
14.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pwz SHIKIMATE
DEHYDROGENASE 3


(Pseudomonas
putida)
PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N)
4 LEU A 214
LEU A 125
LEU A 126
ILE A 184
None
0.80A 4ubsA-3pwzA:
undetectable
4ubsA-3pwzA:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sgg HYPOTHETICAL
HYDROLASE


(Bacteroides
thetaiotaomicron)
PF14323
(GxGYxYP_C)
PF16216
(GxGYxYP_N)
4 ALA A 236
LEU A  55
ARG A  57
ILE A 231
None
0.61A 4ubsA-3sggA:
undetectable
4ubsA-3sggA:
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.
3u5z DNA POLYMERASE
PROCESSIVITY
COMPONENT


(Escherichia
virus T4)
no annotation 4 LEU G5169
LEU G5126
LEU G5123
ILE G5182
None
0.82A 4ubsA-3u5zG:
undetectable
4ubsA-3u5zG:
18.23
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.
3viu PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE 2


(Thermus
thermophilus)
PF00586
(AIRS)
PF02769
(AIRS_C)
4 LEU A 398
ALA A 389
LEU A 650
LEU A 653
None
0.79A 4ubsA-3viuA:
undetectable
4ubsA-3viuA:
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.
3vx4 PUTATIVE ABC
TRANSPORTER,
ATP-BINDING PROTEIN
COMA


(Streptococcus
mutans)
PF00005
(ABC_tran)
4 ALA A 642
LEU A 679
LEU A 680
ILE A 644
None
0.80A 4ubsA-3vx4A:
undetectable
4ubsA-3vx4A:
22.06
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.
3w3a V-TYPE ATP SYNTHASE
ALPHA CHAIN


(Thermus
thermophilus)
PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N)
PF16886
(ATP-synt_ab_Xtn)
4 LEU A 435
THR A 379
ALA A 224
LEU A 430
None
0.86A 4ubsA-3w3aA:
undetectable
4ubsA-3w3aA:
23.35
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.
3wdo MFS TRANSPORTER

(Escherichia
coli)
PF07690
(MFS_1)
4 ALA A  53
LEU A  35
LEU A  32
ILE A  56
None
0.85A 4ubsA-3wdoA:
undetectable
4ubsA-3wdoA:
23.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zog FMN-BINDING PROTEIN

(Pyrococcus
horikoshii)
PF01613
(Flavin_Reduct)
4 ALA A 107
LEU A 153
ARG A  11
ILE A 104
None
0.86A 4ubsA-3zogA:
undetectable
4ubsA-3zogA:
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.
4bzi SEC23P

(Saccharomyces
cerevisiae)
PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS)
4 THR A 487
ALA A 485
LEU A 511
LEU A 512
None
0.83A 4ubsA-4bziA:
undetectable
4ubsA-4bziA:
19.87
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.
4cvc ALCOHOL
DEHYDROGENASE


(Pseudogluconobacter
saccharoketogenes)
PF13360
(PQQ_2)
4 LEU A 499
ALA A 443
LEU A 446
ILE A 454
None
0.69A 4ubsA-4cvcA:
undetectable
4ubsA-4cvcA:
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.
4e1j GLYCEROL KINASE

(Sinorhizobium
meliloti)
PF00370
(FGGY_N)
PF02782
(FGGY_C)
4 LEU A 195
THR A  38
ALA A  40
LEU A  29
None
0.79A 4ubsA-4e1jA:
undetectable
4ubsA-4e1jA:
21.87
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.
4emi TODA

(Pseudomonas
putida)
PF07992
(Pyr_redox_2)
PF14759
(Reductase_C)
4 LEU A 179
ALA A 159
LEU A 195
ILE A 148
None
0.84A 4ubsA-4emiA:
undetectable
4ubsA-4emiA:
24.51
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.
4eud SUCCINYL-COA:ACETATE
COENZYME A
TRANSFERASE


(Acetobacter
aceti)
PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C)
4 LEU A 133
THR A 223
ALA A  17
LEU A  23
None
0.71A 4ubsA-4eudA:
undetectable
4ubsA-4eudA:
23.00
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.
4iqr HEPATOCYTE NUCLEAR
FACTOR 4-ALPHA


(Homo sapiens)
PF00104
(Hormone_recep)
PF00105
(zf-C4)
4 ALA A 173
LEU A 236
LEU A 235
ILE A 172
None
MYR  A 401 (-3.8A)
None
None
0.71A 4ubsA-4iqrA:
undetectable
4ubsA-4iqrA:
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.
4kjr CATION EXCHANGER
YFKE


(Bacillus
subtilis)
PF01699
(Na_Ca_ex)
4 ALA A 340
LEU A 101
LEU A 102
ILE A 343
None
0.86A 4ubsA-4kjrA:
2.8
4ubsA-4kjrA:
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.
4lun NONSENSE-MEDIATED
MRNA DECAY PROTEIN 2


(Saccharomyces
cerevisiae)
PF02854
(MIF4G)
4 LEU U 112
ALA U  93
LEU U 150
ILE U  96
None
0.86A 4ubsA-4lunU:
undetectable
4ubsA-4lunU:
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.
4mnm CHITINASE A

(Cycas revoluta)
PF00704
(Glyco_hydro_18)
4 LEU A 137
ALA A 106
LEU A 153
ILE A  72
None
0.81A 4ubsA-4mnmA:
undetectable
4ubsA-4mnmA:
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.
4n3n EUKARYOTIC
TRANSLATION
INITIATION FACTOR
5B-LIKE PROTEIN,
EIF5B(517-C)


(Chaetomium
thermophilum)
PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF11987
(IF-2)
4 ALA A 615
LEU A 636
LEU A 633
ILE A 616
None
0.66A 4ubsA-4n3nA:
undetectable
4ubsA-4n3nA:
21.93
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.
4pdx PUTATIVE
ALKYL/ARYL-SULFATASE
YJCS


(Escherichia
coli)
PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C)
4 LEU A  76
LEU A  70
LEU A  71
ILE A 136
None
0.78A 4ubsA-4pdxA:
undetectable
4ubsA-4pdxA:
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.
4ppr PENICILLIN-BINDING
PROTEIN DACB1


(Mycobacterium
tuberculosis)
PF00768
(Peptidase_S11)
4 LEU A  74
ALA A 100
LEU A 341
ILE A 108
None
0.85A 4ubsA-4pprA:
undetectable
4ubsA-4pprA:
22.41
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.
4qmg STAPHYLOCOCCAL
NUCLEASE
DOMAIN-CONTAINING
PROTEIN 1


(Homo sapiens)
PF00565
(SNase)
4 ALA A 210
LEU A 212
LEU A 213
ILE A 199
None
0.64A 4ubsA-4qmgA:
undetectable
4ubsA-4qmgA:
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.
4rkm MCCA

(Wolinella
succinogenes)
no annotation 4 ALA A 682
LEU A 623
LEU A 626
ILE A 685
None
0.86A 4ubsA-4rkmA:
undetectable
4ubsA-4rkmA:
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.
4tnw AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA


(Caenorhabditis
elegans)
PF02931
(Neur_chan_LBD)
PF02932
(Neur_chan_memb)
4 ALA A  51
LEU A  53
LEU A  35
ILE A  39
None
0.79A 4ubsA-4tnwA:
undetectable
4ubsA-4tnwA:
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.
4uzz INTRAFLAGELLAR
TRANSPORT COMPLEX B
PROTEIN 46
CARBOXY-TERMINAL
PROTEIN


(Tetrahymena
thermophila)
PF12317
(IFT46_B_C)
4 ALA A 303
LEU A 327
LEU A 330
ILE A 306
None
0.75A 4ubsA-4uzzA:
undetectable
4ubsA-4uzzA:
13.51
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.
4xd9 RIBOSOME BIOGENESIS
PROTEIN, PUTATIVE
(AFU_ORTHOLOGUE
AFUA_8G04790)


(Aspergillus
nidulans)
PF04427
(Brix)
4 ALA A 115
LEU A 117
LEU A 118
ILE A 239
None
0.81A 4ubsA-4xd9A:
undetectable
4ubsA-4xd9A:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y5f BACTERIOPHYTOCHROME

(Deinococcus
radiodurans)
PF01590
(GAF)
PF08446
(PAS_2)
4 LEU A 113
ALA A  44
LEU A  42
LEU A  41
None
0.68A 4ubsA-4y5fA:
undetectable
4ubsA-4y5fA:
22.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z3y BENZOYL-COA
REDUCTASE, PUTATIVE


(Geobacter
metallireducens)
PF01314
(AFOR_C)
PF02730
(AFOR_N)
4 LEU A  43
ALA A  63
LEU A  60
ILE A  79
None
0.68A 4ubsA-4z3yA:
undetectable
4ubsA-4z3yA:
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.
5b2o CRISPR-ASSOCIATED
ENDONUCLEASE CAS9


(Francisella
tularensis)
no annotation 4 LEU A 683
ALA A 803
LEU A 668
ILE A 799
None
0.82A 4ubsA-5b2oA:
undetectable
4ubsA-5b2oA:
12.25
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.
5cml OSMC FAMILY PROTEIN

(Rhodothermus
marinus)
PF12146
(Hydrolase_4)
4 LEU A 104
LEU A 193
LEU A 192
ILE A 131
None
0.75A 4ubsA-5cmlA:
undetectable
4ubsA-5cmlA:
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.
5dmn HOMOCYSTEINE
S-METHYLTRANSFERASE


(Escherichia
coli)
PF02574
(S-methyl_trans)
4 LEU A  17
ALA A 119
LEU A 116
ILE A  67
None
0.76A 4ubsA-5dmnA:
undetectable
4ubsA-5dmnA:
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.
5e4q CONTACTIN-3

(Mus musculus)
PF00041
(fn3)
4 THR A 695
ALA A 614
LEU A 616
ILE A 609
None
0.74A 4ubsA-5e4qA:
undetectable
4ubsA-5e4qA:
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.
5e4s CONTACTIN-4

(Mus musculus)
PF00041
(fn3)
4 THR A 694
ALA A 613
LEU A 615
ILE A 608
None
0.84A 4ubsA-5e4sA:
undetectable
4ubsA-5e4sA:
21.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5foi MYCINAMICIN VIII C21
METHYL HYDROXYLASE


(Micromonospora
griseorubida)
PF00067
(p450)
6 LEU A  80
THR A 231
ALA A 274
LEU A 277
ARG A 279
ILE A 378
HEM  A 413 ( 3.7A)
HEM  A 413 (-3.6A)
HEM  A 413 (-3.6A)
HEM  A 413 ( 3.9A)
HEM  A 413 (-2.9A)
None
0.48A 4ubsA-5foiA:
53.6
4ubsA-5foiA:
42.96
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.
5fpw PRO CATHEPSIN B S9

(Trypanosoma
congolense)
PF00112
(Peptidase_C1)
4 THR A 310
ALA A 308
LEU A 213
LEU A 214
None
0.51A 4ubsA-5fpwA:
undetectable
4ubsA-5fpwA:
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.
5ftt ADHESION G
PROTEIN-COUPLED
RECEPTOR L3


(Mus musculus)
PF02140
(Gal_Lectin)
PF02191
(OLF)
4 LEU C 111
ALA C 124
LEU C 185
LEU C 102
None
0.86A 4ubsA-5fttC:
undetectable
4ubsA-5fttC:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gka GENOME POLYPROTEIN

(Aichivirus A)
PF00073
(Rhv)
4 ALA C 103
LEU C 105
LEU C 106
ILE C 205
None
0.71A 4ubsA-5gkaC:
undetectable
4ubsA-5gkaC:
19.35
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.
5gp4 GLUTAMATE
DECARBOXYLASE


(Lactobacillus
brevis)
no annotation 4 LEU C 298
ALA C 317
LEU C 132
LEU C 135
None
0.84A 4ubsA-5gp4C:
undetectable
4ubsA-5gp4C:
20.77
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.
5i99 CONTACTIN-3

(Mus musculus)
PF00041
(fn3)
PF07679
(I-set)
PF13927
(Ig_3)
4 THR A 695
ALA A 614
LEU A 616
ILE A 609
None
0.78A 4ubsA-5i99A:
undetectable
4ubsA-5i99A:
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.
5kf7 BIFUNCTIONAL PROTEIN
PUTA


(Sinorhizobium
meliloti)
PF00171
(Aldedh)
PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg)
4 LEU A 266
ALA A 293
LEU A 323
LEU A 320
None
0.85A 4ubsA-5kf7A:
undetectable
4ubsA-5kf7A:
17.54
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.
5ufh LACI-TYPE
TRANSCRIPTIONAL
REGULATOR


(Bifidobacterium
animalis)
PF13377
(Peripla_BP_3)
4 LEU A 257
THR A 170
LEU A 226
ILE A 181
None
0.84A 4ubsA-5ufhA:
undetectable
4ubsA-5ufhA:
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.
5uj1 DNA TOPOISOMERASE 1

(Mycobacterium
tuberculosis)
no annotation 4 LEU A 106
THR A 110
LEU A  96
LEU A  99
None
0.84A 4ubsA-5uj1A:
undetectable
4ubsA-5uj1A:
12.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vrq ANKYRIN
REPEAT-CONTAINING
PROTEIN


(Legionella
pneumophila)
no annotation 4 THR A 271
ALA A 234
LEU A 242
ILE A 231
None
0.79A 4ubsA-5vrqA:
undetectable
4ubsA-5vrqA:
7.63
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.
5w4c THIOREDOXIN
REDUCTASE


(Cryptococcus
neoformans)
no annotation 4 LEU A 251
ALA A 241
LEU A 156
ILE A 256
None
0.67A 4ubsA-5w4cA:
undetectable
4ubsA-5w4cA:
12.63
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.
5w6m HISTIDINE--TRNA
LIGASE, CYTOPLASMIC


(Homo sapiens)
no annotation 4 LEU A 441
THR A 409
ALA A 458
ILE A 460
None
0.79A 4ubsA-5w6mA:
undetectable
4ubsA-5w6mA:
10.94
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.
5weo GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT
CHIMERA


(Mus musculus;
Rattus
norvegicus)
PF00060
(Lig_chan)
PF00822
(PMP22_Claudin)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd)
4 ALA A 223
LEU A 121
LEU A 124
ILE A 222
None
0.76A 4ubsA-5weoA:
undetectable
4ubsA-5weoA:
17.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x1e ICMS

(Legionella
pneumophila)
PF12608
(T4bSS_IcmS)
4 LEU A  22
ALA A  41
LEU A  70
ILE A  42
None
0.77A 4ubsA-5x1eA:
undetectable
4ubsA-5x1eA:
13.78
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.
5xjg VACUOLAR PROTEIN 8

(Saccharomyces
cerevisiae)
PF00514
(Arm)
4 LEU A 256
ALA A 231
LEU A 273
ILE A 235
None
0.76A 4ubsA-5xjgA:
undetectable
4ubsA-5xjgA:
23.45
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.
6cfw MBH SUBUNIT
MONOVALENT CATION/H+
ANTIPORTER SUBUNIT D


(Pyrococcus
furiosus)
no annotation 4 LEU H 217
ALA E  20
LEU H 186
LEU H 187
None
0.81A 4ubsA-6cfwH:
1.4
4ubsA-6cfwH:
11.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6en4 SPLICING FACTOR 3B
SUBUNIT 3


(Homo sapiens)
no annotation 4 LEU A 633
ALA A 606
LEU A 609
ILE A 616
None
0.70A 4ubsA-6en4A:
undetectable
4ubsA-6en4A:
13.65
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.
6f72 MTVAO615

(Thermothelomyces
thermophila)
no annotation 4 LEU A 374
THR A 305
ALA A 351
LEU A 349
None
0.75A 4ubsA-6f72A:
undetectable
4ubsA-6f72A:
12.08
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.
6fa5 PUTATIVE MRNA
SPLICING FACTOR


(Chaetomium
thermophilum)
no annotation 4 LEU A 446
ALA A 420
LEU A 431
LEU A 430
None
0.82A 4ubsA-6fa5A:
undetectable
4ubsA-6fa5A:
12.53
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.
6gbg OUTER MEMBRANE
PROTEIN


(Helicobacter
pylori)
no annotation 4 LEU A 182
ALA A 287
LEU A 224
ILE A 290
None
0.69A 4ubsA-6gbgA:
1.9
4ubsA-6gbgA:
12.02
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.
6gk6 -

(-)
no annotation 5 LEU A  92
THR A 247
ALA A 290
ARG A 296
ILE A 395
HEM  A 501 ( 3.8A)
HEM  A 501 ( 3.4A)
HEM  A 501 (-3.6A)
HEM  A 501 (-3.0A)
None
0.72A 4ubsA-6gk6A:
48.4
4ubsA-6gk6A:
undetectable