SIMILAR PATTERNS OF AMINO ACIDS FOR 3UJ7_B_SAMB302_0

List of similar pattern of amino acids derived from ASSAM search

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

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


(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism
Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1a6d THERMOSOME (BETA
SUBUNIT)


(Thermoplasma
acidophilum)
PF00118
(Cpn60_TCP1)
5 LEU B 105
GLY B 125
ILE B 511
ARG B 430
ALA B 434
None
1.11A 3uj7B-1a6dB:
undetectable
3uj7B-1a6dB:
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.
1dm3 BIOSYNTHETIC
THIOLASE ACETYLATED
AT CYS89


(Zoogloea
ramigera)
PF00108
(Thiolase_N)
PF02803
(Thiolase_C)
5 LEU A 258
ILE A 269
GLY A 273
ILE A 275
LEU A 358
None
1.04A 3uj7B-1dm3A:
undetectable
3uj7B-1dm3A:
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.
1e6v METHYL-COENZYME M
REDUCTASE I ALPHA
SUBUNIT


(Methanopyrus
kandleri)
PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N)
5 GLY A 429
GLY A 426
ILE A 494
ALA A 377
LEU A 436
None
1.13A 3uj7B-1e6vA:
undetectable
3uj7B-1e6vA:
16.36
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.
1e6y METHYL-COENZYME M
REDUCTASE SUBUNIT
ALPHA


(Methanosarcina
barkeri)
PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N)
5 GLY A1446
GLY A1443
ILE A1511
ALA A1394
LEU A1453
None
1.22A 3uj7B-1e6yA:
undetectable
3uj7B-1e6yA:
18.07
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.
1ebl BETA-KETOACYL-ACP
SYNTHASE III


(Escherichia
coli)
PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III)
5 LEU A  22
GLY A 158
GLY A 273
ILE A  39
ALA A 143
None
1.11A 3uj7B-1eblA:
undetectable
3uj7B-1eblA:
22.02
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.
1mf1 ADENYLOSUCCINATE
SYNTHETASE


(Mus musculus)
PF00709
(Adenylsucc_synt)
5 LEU A 128
ILE A  59
GLY A  99
ILE A 130
LEU A  84
None
0.90A 3uj7B-1mf1A:
undetectable
3uj7B-1mf1A:
21.03
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.
1mro METHYL-COENZYME M
REDUCTASE


(Methanothermobacter
marburgensis)
PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N)
5 GLY A 426
GLY A 423
ILE A 491
ALA A 374
LEU A 433
None
1.15A 3uj7B-1mroA:
undetectable
3uj7B-1mroA:
17.82
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.
1nt4 GLUCOSE-1-PHOSPHATAS
E


(Escherichia
coli)
PF00328
(His_Phos_2)
5 LEU A 366
ILE A 337
ILE A 371
ASP A 380
LEU A 273
None
1.07A 3uj7B-1nt4A:
undetectable
3uj7B-1nt4A:
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.
1q1r PUTIDAREDOXIN
REDUCTASE


(Pseudomonas
putida)
PF07992
(Pyr_redox_2)
PF14759
(Reductase_C)
5 LEU A 152
ILE A 155
GLY A 161
GLY A 156
LEU A  53
None
1.19A 3uj7B-1q1rA:
2.6
3uj7B-1q1rA:
19.52
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.
1sq7 TRIOSEPHOSPHATE
ISOMERASE


(Gallus gallus)
PF00121
(TIM)
5 ILE A  83
ILE A  46
ILE A  78
ALA A  43
LEU A  21
None
1.14A 3uj7B-1sq7A:
undetectable
3uj7B-1sq7A:
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.
1tdt TETRAHYDRODIPICOLINA
TE-N-SUCCINYLTRANSFE
RASE


(Mycobacterium
bovis)
PF00132
(Hexapep)
PF14602
(Hexapep_2)
PF14805
(THDPS_N_2)
5 LEU A  59
ILE A 130
GLY A  36
GLY A 114
LEU A   4
None
1.16A 3uj7B-1tdtA:
undetectable
3uj7B-1tdtA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vlu GAMMA-GLUTAMYL
PHOSPHATE REDUCTASE


(Saccharomyces
cerevisiae)
PF00171
(Aldedh)
5 ILE A 246
ILE A 266
ILE A 232
ASP A 239
ALA A 238
None
1.18A 3uj7B-1vluA:
4.1
3uj7B-1vluA:
19.31
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.
1xq1 PUTATIVE TROPINONE
REDUCATSE


(Arabidopsis
thaliana)
PF13561
(adh_short_C2)
5 GLY A  22
GLY A  27
ILE A  41
ILE A  30
LEU A  55
None
1.20A 3uj7B-1xq1A:
7.0
3uj7B-1xq1A:
21.71
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.
1yr2 PROLYL
OLIGOPEPTIDASE


(Novosphingobium
capsulatum)
PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N)
5 LEU A 522
ILE A 406
GLY A 407
ASP A 383
ALA A 384
None
1.20A 3uj7B-1yr2A:
undetectable
3uj7B-1yr2A:
15.11
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.
1z9a NAD(P)H-DEPENDENT
D-XYLOSE REDUCTASE


([Candida]
tenuis)
PF00248
(Aldo_ket_red)
5 ILE A 147
ILE A 166
ILE A 113
ARG A 181
ALA A 183
None
0.96A 3uj7B-1z9aA:
undetectable
3uj7B-1z9aA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ae0 MEMBRANE-BOUND LYTIC
MUREIN
TRANSGLYCOSYLASE A


(Escherichia
coli)
PF03562
(MltA)
PF06725
(3D)
5 GLY X  37
ILE X  43
ARG X 255
ALA X 256
LEU X 296
None
1.20A 3uj7B-2ae0X:
undetectable
3uj7B-2ae0X:
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.
2d7m FILAMIN-C

(Homo sapiens)
PF00630
(Filamin)
5 LEU A  46
GLY A  90
ILE A  86
ASP A  10
ALA A  11
None
1.20A 3uj7B-2d7mA:
undetectable
3uj7B-2d7mA:
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.
2hm2 PYRIN-ONLY PROTEIN 1

(Homo sapiens)
PF02758
(PYRIN)
5 LEU Q  27
GLY Q  45
GLY Q  42
ASP Q  51
LEU Q  20
None
1.10A 3uj7B-2hm2Q:
undetectable
3uj7B-2hm2Q:
16.73
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.
2o57 PUTATIVE SARCOSINE
DIMETHYLGLYCINE
METHYLTRANSFERASE


(Galdieria
sulphuraria)
PF08241
(Methyltransf_11)
5 GLY A  90
GLY A  92
ASP A 158
ALA A 159
HIS A 162
None
0.63A 3uj7B-2o57A:
27.3
3uj7B-2o57A:
28.30
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.
2o57 PUTATIVE SARCOSINE
DIMETHYLGLYCINE
METHYLTRANSFERASE


(Galdieria
sulphuraria)
PF08241
(Methyltransf_11)
5 GLY A  90
GLY A  92
ILE A 113
ASP A 158
ALA A 159
None
0.41A 3uj7B-2o57A:
27.3
3uj7B-2o57A:
28.30
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.
2px5 GENOME POLYPROTEIN
[CONTAINS: CAPSID
PROTEIN C (CORE
PROTEIN)
ENVELOPE PROTEIN M
(MATRIX PROTEIN)
MAJOR ENVELOPE
PROTEIN E
NON-STRUCTURAL
PROTEIN 1 (NS1)
NON-STRUCTURAL
PROTEIN 2A (NS2A)
FLAVIVIRIN PROTEASE
NS2B REGULATORY
SUBUNIT
FLAVIVIRIN PROTEASE
NS3 CATALYTIC
SUBUNIT
NON-STRUCTURAL
PROTEIN 4A (NS4A)
NON-STRUCTURAL
PROTEIN 4B (NS4B)
RNA-DIRECTED RNA
POLYMERASE (EC
2.7.7.48) (NS5)]


(Murray Valley
encephalitis
virus)
PF01728
(FtsJ)
5 GLY A 148
ILE A 181
CYH A 145
ILE A 147
LEU A 195
None
None
None
SAH  A 500 ( 4.3A)
None
0.93A 3uj7B-2px5A:
8.8
3uj7B-2px5A:
23.68
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.
2v40 ADENYLOSUCCINATE
SYNTHETASE ISOZYME 2


(Homo sapiens)
PF00709
(Adenylsucc_synt)
5 LEU A 127
ILE A  56
GLY A  96
ILE A 129
LEU A  81
None
0.85A 3uj7B-2v40A:
undetectable
3uj7B-2v40A:
19.74
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.
2var FRUCTOKINASE

(Sulfolobus
solfataricus)
PF00294
(PfkB)
5 LEU A  11
ILE A  79
GLY A  57
ILE A  65
ALA A 112
KDG  A1313 ( 4.7A)
None
None
None
None
1.00A 3uj7B-2varA:
3.7
3uj7B-2varA:
25.91
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.
2wnr PROBABLE EXOSOME
COMPLEX EXONUCLEASE
1


(Methanothermobacter
thermautotrophicus)
PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
5 ILE B 127
ILE B  31
ILE B  52
ALA B 147
LEU B 234
None
1.09A 3uj7B-2wnrB:
undetectable
3uj7B-2wnrB:
22.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zau SELENIDE, WATER
DIKINASE


(Aquifex
aeolicus)
PF00586
(AIRS)
PF02769
(AIRS_C)
5 LEU A  81
GLY A  73
ARG A 115
ASP A 119
ALA A 117
None
1.12A 3uj7B-2zauA:
undetectable
3uj7B-2zauA:
24.33
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.
3ckb SUSD

(Bacteroides
thetaiotaomicron)
PF07980
(SusD_RagB)
5 LEU A 435
GLY A 216
ILE A 286
ILE A 282
LEU A 158
None
1.22A 3uj7B-3ckbA:
undetectable
3uj7B-3ckbA:
18.18
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.
3d7r ESTERASE

(Staphylococcus
aureus)
PF07859
(Abhydrolase_3)
5 LEU A 176
ILE A 130
GLY A 154
ALA A 156
LEU A 183
None
1.20A 3uj7B-3d7rA:
2.8
3uj7B-3d7rA:
19.77
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.
3dni DEOXYRIBONUCLEASE I

(Bos taurus)
PF03372
(Exo_endo_phos)
5 LEU A  81
ILE A  25
GLY A  12
ILE A   8
ALA A  47
None
0.85A 3uj7B-3dniA:
undetectable
3uj7B-3dniA:
19.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eeh PUTATIVE LIGHT AND
REDOX SENSING
HISTIDINE KINASE


(Haloarcula
marismortui)
PF08447
(PAS_3)
5 ILE A  37
GLY A 119
ILE A 102
ILE A  23
LEU A  78
None
None
PG5  A 126 ( 4.4A)
None
None
0.89A 3uj7B-3eehA:
undetectable
3uj7B-3eehA:
18.80
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.
3fk5 3-OXOACYL-SYNTHASE
III


(Xanthomonas
oryzae)
PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III)
5 LEU A 108
ILE A  78
ILE A  83
ASP A  75
ALA A  72
None
1.14A 3uj7B-3fk5A:
undetectable
3uj7B-3fk5A:
24.36
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.
3ga2 ENDONUCLEASE V

(Bacillus
subtilis)
PF04493
(Endonuclease_5)
5 ILE A 143
GLY A  44
ILE A  65
ASP A 223
ALA A 222
None
1.18A 3uj7B-3ga2A:
undetectable
3uj7B-3ga2A:
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.
3gcz POLYPROTEIN

(Yokose virus)
PF01728
(FtsJ)
5 GLY A 148
ILE A 182
CYH A 145
ILE A 147
LEU A 196
None
None
None
SAM  A4633 ( 4.2A)
None
1.03A 3uj7B-3gczA:
8.9
3uj7B-3gczA:
25.77
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.
3h7l ENDOGLUCANASE

(Vibrio
parahaemolyticus)
PF00759
(Glyco_hydro_9)
PF02927
(CelD_N)
5 GLY A 250
GLY A 252
ILE A 255
ARG A 248
ALA A 245
None
1.04A 3uj7B-3h7lA:
undetectable
3uj7B-3h7lA:
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.
3hnr PROBABLE
METHYLTRANSFERASE
BT9727_4108


(Bacillus
thuringiensis)
PF08241
(Methyltransf_11)
5 GLY A  53
GLY A  55
ALA A 115
HIS A 118
LEU A 119
None
0.40A 3uj7B-3hnrA:
15.8
3uj7B-3hnrA:
22.85
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.
3iau THREONINE DEAMINASE

(Solanum
lycopersicum)
PF00291
(PALP)
5 LEU A  69
GLY A 324
ILE A 322
ILE A 339
ALA A 327
None
1.22A 3uj7B-3iauA:
undetectable
3uj7B-3iauA:
20.11
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.
3ilw DNA GYRASE SUBUNIT A

(Mycobacterium
tuberculosis)
PF00521
(DNA_topoisoIV)
5 GLY A 342
ILE A 189
ASP A 242
ALA A 243
LEU A 358
None
0.72A 3uj7B-3ilwA:
undetectable
3uj7B-3ilwA:
19.15
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.
3o4c DE NOVO DESIGNED
BETA-TREFOIL
ARCHITECTURE WITH
SYMMETRIC PRIMARY
STRUCTURE


(synthetic
construct)
PF00167
(FGF)
5 LEU A  65
ILE A 111
GLY A  33
ILE A  25
ASP A 118
None
1.16A 3uj7B-3o4cA:
undetectable
3uj7B-3o4cA:
18.22
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.
3pgb PUTATIVE
UNCHARACTERIZED
PROTEIN


(Aspergillus
nidulans)
PF01179
(Cu_amine_oxid)
PF09248
(DUF1965)
5 ILE A 501
GLY A 429
GLY A 427
ALA A 432
LEU A 465
TPQ  A 504 ( 4.8A)
None
None
None
None
0.80A 3uj7B-3pgbA:
undetectable
3uj7B-3pgbA:
15.22
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.
3q41 GLUTAMATE [NMDA]
RECEPTOR SUBUNIT
ZETA-1


(Rattus
norvegicus)
PF01094
(ANF_receptor)
5 ILE A  83
GLY A  30
ILE A 116
ASP A  81
LEU A  33
None
0.98A 3uj7B-3q41A:
undetectable
3uj7B-3q41A:
21.55
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.
3r2g INOSINE
5'-MONOPHOSPHATE
DEHYDROGENASE


(Legionella
pneumophila)
PF00478
(IMPDH)
5 LEU A 218
GLY A 298
GLY A 302
ILE A 214
LEU A  43
None
1.20A 3uj7B-3r2gA:
undetectable
3uj7B-3r2gA:
19.78
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.
3r2h BACTERIOFERRITIN

(Pseudomonas
aeruginosa)
PF00210
(Ferritin)
5 LEU A  44
ILE A  76
GLY A  79
ILE A  27
ALA A  88
None
0.85A 3uj7B-3r2hA:
undetectable
3uj7B-3r2hA:
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.
3vtx MAMA

(Candidatus
Magnetobacterium
bavaricum)
PF00515
(TPR_1)
PF13174
(TPR_6)
PF13181
(TPR_8)
PF13414
(TPR_11)
5 GLY A 119
ILE A 117
ILE A  98
ASP A 133
ALA A 134
None
1.22A 3uj7B-3vtxA:
undetectable
3uj7B-3vtxA:
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.
4crs SERINE/THREONINE-PRO
TEIN KINASE N2


(Homo sapiens)
PF00069
(Pkinase)
PF00433
(Pkinase_C)
5 LEU A 673
ILE A 937
GLY A 743
ASP A 791
ALA A 740
None
None
None
None
AGS  A1985 (-3.9A)
1.21A 3uj7B-4crsA:
undetectable
3uj7B-4crsA:
19.56
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.
4dad PUTATIVE PILUS
ASSEMBLY-RELATED
PROTEIN


(Burkholderia
pseudomallei)
PF00072
(Response_reg)
5 LEU A  70
GLY A  34
ASP A  55
ALA A   7
LEU A   5
None
1.03A 3uj7B-4dadA:
4.3
3uj7B-4dadA:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dq1 THYMIDYLATE SYNTHASE

(Staphylococcus
aureus)
PF00303
(Thymidylat_synt)
5 LEU A  12
ILE A  19
GLY A  20
ILE A 225
HIS A  37
None
1.23A 3uj7B-4dq1A:
undetectable
3uj7B-4dq1A:
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.
4e6y CITRATE SYNTHASE

(Vibrio
vulnificus)
PF00285
(Citrate_synt)
5 LEU A 165
ILE A 118
GLY A 140
ILE A 253
ALA A 143
None
1.00A 3uj7B-4e6yA:
undetectable
3uj7B-4e6yA:
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.
4egw MAGNESIUM TRANSPORT
PROTEIN CORA


(Methanocaldococcus
jannaschii)
PF01544
(CorA)
5 ILE A  77
GLY A  58
ILE A  50
ILE A  57
LEU A 100
None
0.79A 3uj7B-4egwA:
undetectable
3uj7B-4egwA:
22.45
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.
4f5x RNA-DIRECTED RNA
POLYMERASE


(Rotavirus A)
PF02123
(RdRP_4)
PF12289
(Rotavirus_VP1)
5 LEU W 465
GLY W 450
ILE W 447
ARG W 460
ALA W 590
None
0.67A 3uj7B-4f5xW:
undetectable
3uj7B-4f5xW:
13.63
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.
4fno PEPTIDYL-TRNA
HYDROLASE


(Pseudomonas
aeruginosa)
PF01195
(Pept_tRNA_hydro)
5 LEU A 118
GLY A   9
GLY A  11
ALA A  93
HIS A  94
None
1.13A 3uj7B-4fnoA:
undetectable
3uj7B-4fnoA:
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.
4ine PROTEIN PMT-2

(Caenorhabditis
elegans)
PF08241
(Methyltransf_11)
5 LEU A 182
GLY A 232
GLY A 234
ARG A 298
HIS A 303
SAH  A 501 (-4.0A)
SAH  A 501 (-3.6A)
SAH  A 501 (-3.6A)
None
SAH  A 501 (-4.0A)
0.57A 3uj7B-4ineA:
38.6
3uj7B-4ineA:
23.63
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.
4ine PROTEIN PMT-2

(Caenorhabditis
elegans)
PF08241
(Methyltransf_11)
6 LEU A 182
ILE A 204
GLY A 232
GLY A 234
ASP A 299
HIS A 303
SAH  A 501 (-4.0A)
SAH  A 501 (-4.5A)
SAH  A 501 (-3.6A)
SAH  A 501 (-3.6A)
None
SAH  A 501 (-4.0A)
0.79A 3uj7B-4ineA:
38.6
3uj7B-4ineA:
23.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4iv8 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE


(Plasmodium
knowlesi)
PF08241
(Methyltransf_11)
5 GLY A  61
GLY A  63
CYH A  85
ARG A 125
ASP A 126
SAM  A 301 (-3.5A)
SAM  A 301 ( 3.9A)
BME  A 302 (-1.9A)
None
None
0.80A 3uj7B-4iv8A:
35.5
3uj7B-4iv8A:
59.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4iv8 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE


(Plasmodium
knowlesi)
PF08241
(Methyltransf_11)
8 GLY A  61
GLY A  63
ILE A  84
ARG A 125
ASP A 126
ALA A 127
HIS A 130
LEU A 131
SAM  A 301 (-3.5A)
SAM  A 301 ( 3.9A)
SAM  A 301 (-3.8A)
None
None
SAM  A 301 (-3.4A)
SAM  A 301 (-3.9A)
None
0.36A 3uj7B-4iv8A:
35.5
3uj7B-4iv8A:
59.01
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.
4jga 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2


(Rickettsia
rickettsii)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
5 LEU A 336
ILE A 307
ILE A 312
ASP A 304
ALA A 301
None
1.03A 3uj7B-4jgaA:
undetectable
3uj7B-4jgaA:
19.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2


(Haemonchus
contortus)
PF08241
(Methyltransf_11)
5 LEU A 178
GLY A 228
GLY A 230
ARG A 294
HIS A 299
SAH  A 701 ( 4.2A)
SAH  A 701 (-3.5A)
SAH  A 701 (-3.5A)
None
SAH  A 701 (-4.2A)
0.54A 3uj7B-4kriA:
38.7
3uj7B-4kriA:
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.
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2


(Haemonchus
contortus)
PF08241
(Methyltransf_11)
6 LEU A 178
ILE A 200
GLY A 228
GLY A 230
ASP A 295
HIS A 299
SAH  A 701 ( 4.2A)
SAH  A 701 ( 4.5A)
SAH  A 701 (-3.5A)
SAH  A 701 (-3.5A)
None
SAH  A 701 (-4.2A)
0.66A 3uj7B-4kriA:
38.7
3uj7B-4kriA:
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.
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2


(Haemonchus
contortus)
PF08241
(Methyltransf_11)
5 LEU A 314
GLY A 361
ILE A 310
ASP A 364
ALA A 427
None
0.86A 3uj7B-4kriA:
38.7
3uj7B-4kriA:
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.
4kws D-MANNONATE
DEHYDRATASE


(Chromohalobacter
salexigens)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
5 LEU A   3
ILE A  24
GLY A  32
ILE A  98
ASP A   7
None
1.08A 3uj7B-4kwsA:
undetectable
3uj7B-4kwsA:
19.80
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.
4lmp ALANINE
DEHYDROGENASE


(Mycobacterium
tuberculosis)
PF01262
(AlaDh_PNT_C)
PF05222
(AlaDh_PNT_N)
5 GLY A 180
GLY A 138
ILE A 267
ARG A 185
ALA A 184
None
1.22A 3uj7B-4lmpA:
5.3
3uj7B-4lmpA:
19.42
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.
4lz6 BH2163 PROTEIN

(Bacillus
halodurans)
PF01554
(MatE)
5 LEU A 101
ILE A  81
GLY A  74
GLY A  77
ILE A 104
None
1.07A 3uj7B-4lz6A:
undetectable
3uj7B-4lz6A:
17.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mwz PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE


(Plasmodium
vivax)
PF13649
(Methyltransf_25)
6 ILE A  33
GLY A  60
GLY A  62
CYH A  84
ARG A 124
ASP A 125
SAM  A 301 (-4.3A)
SAM  A 301 (-3.7A)
SAM  A 301 ( 3.8A)
BME  A 303 (-1.9A)
None
None
0.74A 3uj7B-4mwzA:
41.5
3uj7B-4mwzA:
63.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mwz PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE


(Plasmodium
vivax)
PF13649
(Methyltransf_25)
8 ILE A  33
GLY A  60
GLY A  62
ILE A  83
ARG A 124
ASP A 125
HIS A 129
LEU A 130
SAM  A 301 (-4.3A)
SAM  A 301 (-3.7A)
SAM  A 301 ( 3.8A)
SAM  A 301 (-3.7A)
None
None
SAM  A 301 (-3.9A)
None
0.18A 3uj7B-4mwzA:
41.5
3uj7B-4mwzA:
63.53
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.
4oyd APOPTOSIS REGULATOR
BHRF1


(Human
gammaherpesvirus
4)
PF00452
(Bcl-2)
5 LEU A  54
ILE A 154
GLY A  99
ILE A  57
ALA A 101
None
1.18A 3uj7B-4oydA:
undetectable
3uj7B-4oydA:
18.25
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.
4p9n CARBOXYLESTERASE

(Sulfolobus
shibatae)
PF07859
(Abhydrolase_3)
5 LEU A 198
ILE A  84
ILE A 203
ILE A  19
ALA A 152
None
1.00A 3uj7B-4p9nA:
4.0
3uj7B-4p9nA:
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.
4peq RIBONUCLEASE/ANGIOGE
NIN INHIBITOR 1


(Bos taurus)
PF13516
(LRR_6)
5 LEU B 271
GLY B 238
CYH B 243
ARG B 233
ASP B 262
None
1.21A 3uj7B-4peqB:
undetectable
3uj7B-4peqB:
20.52
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.
4pvv ADENOSINE KINASE

(Mycobacterium
tuberculosis)
PF00294
(PfkB)
5 ILE A 127
GLY A   7
GLY A  68
ILE A 143
ASP A 148
None
1.22A 3uj7B-4pvvA:
2.8
3uj7B-4pvvA:
20.81
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.
4qtu PUTATIVE
METHYLTRANSFERASE
BUD23


(Saccharomyces
cerevisiae)
PF08241
(Methyltransf_11)
5 GLY B  55
GLY B  57
ILE B  78
ALA B 119
LEU B 123
SAM  B 301 (-3.7A)
SAM  B 301 (-3.3A)
SAM  B 301 (-3.7A)
SAM  B 301 (-3.5A)
CSO  B 124 ( 4.4A)
0.53A 3uj7B-4qtuB:
19.1
3uj7B-4qtuB:
22.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r6w PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE


(Plasmodium
falciparum)
PF13649
(Methyltransf_25)
10 LEU A  14
ILE A  36
GLY A  63
GLY A  65
ILE A  86
CYH A  87
ARG A 127
ALA A 129
HIS A 132
LEU A 133
None
SAH  A 302 ( 3.9A)
SAH  A 302 (-3.7A)
SAH  A 302 (-3.6A)
SAH  A 302 (-3.7A)
SAH  A 302 (-3.4A)
None
SAH  A 302 (-3.3A)
SAH  A 302 (-4.3A)
None
0.28A 3uj7B-4r6wA:
46.2
3uj7B-4r6wA:
99.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r6w PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE


(Plasmodium
falciparum)
PF13649
(Methyltransf_25)
8 LEU A  14
ILE A  36
GLY A  65
ILE A  86
CYH A  87
ILE A  90
ARG A 127
HIS A 132
None
SAH  A 302 ( 3.9A)
SAH  A 302 (-3.6A)
SAH  A 302 (-3.7A)
SAH  A 302 (-3.4A)
None
None
SAH  A 302 (-4.3A)
0.49A 3uj7B-4r6wA:
46.2
3uj7B-4r6wA:
99.61
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.
4r7u UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE


(Vibrio cholerae)
PF00275
(EPSP_synthase)
5 LEU A 199
GLY A 223
GLY A 225
ALA A  36
LEU A 176
None
1.20A 3uj7B-4r7uA:
undetectable
3uj7B-4r7uA:
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.
4rsl FRUCTOSYL PEPTIDE
OXIDASE


(Penicillium
terrenum)
PF01266
(DAO)
5 GLY A 266
GLY A 263
CYH A  97
ALA A 328
LEU A 333
None
1.11A 3uj7B-4rslA:
2.5
3uj7B-4rslA:
19.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4woq N-ACETYLNEURAMINATE
LYASE


(Clostridioides
difficile)
PF00701
(DHDPS)
5 LEU A  22
ILE A  32
GLY A  36
ILE A  76
LEU A 269
None
1.22A 3uj7B-4woqA:
undetectable
3uj7B-4woqA:
23.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xhp PARM HYBRID FUSION
PROTEIN


(Bacillus
thuringiensis)
no annotation 5 LEU A 384
GLY A 377
GLY A 373
ASP A 350
ALA A 348
None
None
ADP  A 901 (-4.2A)
None
None
0.98A 3uj7B-4xhpA:
undetectable
3uj7B-4xhpA:
16.07
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.
4yxm DNA INTEGRITY
SCANNING PROTEIN
DISA


(Thermotoga
maritima)
PF00633
(HHH)
PF02457
(DisA_N)
PF10635
(DisA-linker)
5 LEU A  80
ILE A  18
ILE A  78
ILE A 124
ALA A  27
None
0.95A 3uj7B-4yxmA:
undetectable
3uj7B-4yxmA:
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.
4zlv ORNITHINE
AMINOTRANSFERASE,
MITOCHONDRIAL,
PUTATIVE


(Toxoplasma
gondii)
PF00202
(Aminotran_3)
5 LEU A 132
GLY A 285
GLY A 136
ILE A 295
LEU A 331
None
None
PLP  A 501 (-3.1A)
None
None
0.93A 3uj7B-4zlvA:
undetectable
3uj7B-4zlvA:
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.
4zm4 AMINOTRANSFERASE

(Streptomyces
pactum)
PF00202
(Aminotran_3)
5 GLY A 289
GLY A 110
ARG A 291
ALA A 293
LEU A 130
None
1.24A 3uj7B-4zm4A:
2.3
3uj7B-4zm4A:
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.
5b3j NMDA GLUTAMATE
RECEPTOR SUBUNIT


(Xenopus laevis)
PF01094
(ANF_receptor)
5 ILE A  83
GLY A  30
ILE A 116
ASP A  81
LEU A  33
None
1.07A 3uj7B-5b3jA:
undetectable
3uj7B-5b3jA:
22.34
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.
5b3j NMDA GLUTAMATE
RECEPTOR SUBUNIT


(Xenopus laevis)
PF01094
(ANF_receptor)
5 ILE A 374
GLY A 271
GLY A 289
ILE A 241
ILE A 288
None
0.95A 3uj7B-5b3jA:
undetectable
3uj7B-5b3jA:
22.34
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.
5dgq PUTATIVE
ENDOGLUCANASE-RELATE
D PROTEIN


(Photobacterium
profundum)
PF00759
(Glyco_hydro_9)
5 GLY A 249
GLY A 251
ILE A 254
ARG A 247
ALA A 244
None
0.96A 3uj7B-5dgqA:
undetectable
3uj7B-5dgqA:
18.76
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.
5e1b N-TERMINAL
XAA-PRO-LYS
N-METHYLTRANSFERASE
1


(Homo sapiens)
PF05891
(Methyltransf_PK)
5 GLY A  69
GLY A  71
ILE A  92
HIS A 140
LEU A 141
SAH  A 301 (-3.9A)
SAH  A 301 (-3.1A)
SAH  A 301 (-3.9A)
SAH  A 301 (-3.8A)
None
0.61A 3uj7B-5e1bA:
18.4
3uj7B-5e1bA:
20.81
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.
5e9q GENOME POLYPROTEIN

(Dengue virus)
PF01728
(FtsJ)
5 GLY A 148
ILE A 179
CYH A 145
ILE A 147
LEU A 193
None
None
None
SAM  A 301 ( 4.2A)
None
1.00A 3uj7B-5e9qA:
8.3
3uj7B-5e9qA:
22.90
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.
5gt5 PECTATE LYASE

(Paenibacillus
sp. 0602)
no annotation 5 ILE A 273
GLY A 175
GLY A 246
ILE A 154
ALA A 172
None
0.92A 3uj7B-5gt5A:
undetectable
3uj7B-5gt5A:
20.48
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.
5hdt SISTER CHROMATID
COHESION PROTEIN
PDS5 HOMOLOG B


(Homo sapiens)
no annotation 5 LEU A 604
ILE A 449
ILE A 532
ASP A 538
ALA A 542
None
1.22A 3uj7B-5hdtA:
undetectable
3uj7B-5hdtA:
12.12
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.
5hei NFRA2

(Bacillus
megaterium)
PF00881
(Nitroreductase)
5 LEU A  60
GLY A 135
ILE A  78
ILE A 134
LEU A 150
None
FMN  A 301 (-3.5A)
None
FMN  A 301 ( 4.1A)
None
1.02A 3uj7B-5heiA:
undetectable
3uj7B-5heiA:
21.25
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.
5ikm NS5 METHYL
TRANSFERASE


(Dengue virus)
PF01728
(FtsJ)
5 GLY A 148
ILE A 179
CYH A 145
ILE A 147
LEU A 193
None
None
None
SAM  A 311 ( 4.3A)
None
0.98A 3uj7B-5ikmA:
8.5
3uj7B-5ikmA:
21.12
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.
5jjr GENOME POLYPROTEIN

(Dengue virus)
PF00972
(Flavi_NS5)
PF01728
(FtsJ)
5 GLY A 148
ILE A 179
CYH A 145
ILE A 147
LEU A 193
None
None
None
SAH  A1003 ( 4.3A)
None
0.96A 3uj7B-5jjrA:
8.4
3uj7B-5jjrA:
15.82
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.
5ltm PHENYLALANINE
AMMONIA LYASE


(Anabaena)
no annotation 5 LEU B 181
ILE B 139
ILE B 177
ALA B 129
LEU B 151
None
1.17A 3uj7B-5ltmB:
undetectable
3uj7B-5ltmB:
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.
5n28 METHYL-COENZYME M
REDUCTASE SUBUNIT
ALPHA


(Methanotorris
formicicus)
PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N)
5 GLY A 428
GLY A 425
ILE A 493
ALA A 376
LEU A 435
TRX  A 429 ( 2.4A)
None
None
None
None
1.15A 3uj7B-5n28A:
undetectable
3uj7B-5n28A:
18.44
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.
5nit GLUCOSE OXIDASE

(Aspergillus
niger)
no annotation 5 GLY A 304
GLY A 302
ILE A 308
ILE A 314
LEU A 324
None
0.96A 3uj7B-5nitA:
undetectable
3uj7B-5nitA:
17.63
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.
5nju GENOME POLYPROTEIN

(Zika virus)
no annotation 5 GLY A 148
ILE A 181
CYH A 145
ILE A 147
LEU A 195
None
None
None
SAH  A1001 (-4.2A)
None
1.06A 3uj7B-5njuA:
8.8
3uj7B-5njuA:
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.
5nrm DOCCEL5: TYPE I
DOCKERIN REPEAT
DOMAIN FROM A.
CELLULOLYTICUS
FAMILY 5
ENDOGLUCANASE
WP_010249057 S51I,
L52N MUTANT


(Acetivibrio
cellulolyticus)
no annotation 5 GLY B  10
ILE B  14
ASP B  37
ALA B  41
LEU B  44
None
0.81A 3uj7B-5nrmB:
undetectable
3uj7B-5nrmB:
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.
5tw7 GMP SYNTHASE
[GLUTAMINE-HYDROLYZI
NG]


(Neisseria
gonorrhoeae)
PF00117
(GATase)
PF00958
(GMP_synt_C)
PF02540
(NAD_synthase)
5 LEU A 183
ILE A  51
GLY A 167
GLY A  79
ILE A  80
None
1.24A 3uj7B-5tw7A:
2.3
3uj7B-5tw7A:
20.48
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.
5u2p SUGAR ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN


(Treponema
pallidum)
PF01547
(SBP_bac_1)
5 LEU A 352
GLY A 310
CYH A 143
ILE A 127
LEU A 279
None
EDO  A 504 ( 3.9A)
None
None
None
1.05A 3uj7B-5u2pA:
undetectable
3uj7B-5u2pA:
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.
5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1


(Arabidopsis
thaliana)
no annotation 6 LEU A 241
GLY A 290
GLY A 292
ARG A 355
ASP A 356
HIS A 360
SAH  A 703 (-4.0A)
SAH  A 703 (-4.0A)
SAH  A 703 ( 3.7A)
None
PC  A 702 ( 4.6A)
SAH  A 703 (-4.0A)
0.36A 3uj7B-5wp4A:
40.5
3uj7B-5wp4A:
23.28
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.
5wp5 PHOSPHOMETHYLETHANOL
AMINE
N-METHYLTRANSFERASE
2


(Arabidopsis
thaliana)
no annotation 5 GLY A 290
GLY A 292
ARG A 355
ASP A 356
HIS A 360
SAH  A 501 (-3.8A)
SAH  A 501 (-3.6A)
None
None
SAH  A 501 (-4.0A)
0.18A 3uj7B-5wp5A:
33.4
3uj7B-5wp5A:
23.89
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.
5wug BETA-GLUCOSIDASE

(Paenibacillus
barengoltzii)
no annotation 5 LEU A 524
GLY A 553
GLY A 555
ILE A 532
LEU A 507
None
1.02A 3uj7B-5wugA:
undetectable
3uj7B-5wugA:
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.
5x3j GLYCOSIDE HYDROLASE
FAMILY 31


(Kribbella
flavida)
no annotation 5 LEU A 718
GLY A 689
CYH A 710
ILE A 684
LEU A 612
None
1.07A 3uj7B-5x3jA:
undetectable
3uj7B-5x3jA:
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.
5ykd D-HYDANTOINASE/DIHYD
ROPYRIMIDINASE


(Pseudomonas
aeruginosa)
no annotation 5 LEU A  51
ILE A   5
ILE A  31
ASP A 390
ALA A 391
None
0.89A 3uj7B-5ykdA:
undetectable
3uj7B-5ykdA:
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.
6bj9 ACETYL-COA
ACETYLTRANSFERASE A


(Ascaris suum)
no annotation 5 LEU A 300
GLY A 384
GLY A 279
ILE A 386
ALA A 374
None
1.17A 3uj7B-6bj9A:
undetectable
3uj7B-6bj9A:
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.
6gdt -

(-)
no annotation 5 GLY A 250
GLY A 252
ILE A 255
ARG A 248
ALA A 245
None
0.95A 3uj7B-6gdtA:
undetectable
3uj7B-6gdtA:
undetectable