SIMILAR PATTERNS OF AMINO ACIDS FOR 3WDM_B_ADNB301_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.
1cu1 PROTEIN
(PROTEASE/HELICASE
NS3)

(Hepacivirus C) 		PF02907
(Peptidase_S29)
PF07652
(Flavi_DEAD) 		5 ARG A 512
GLY A 304
LEU A 228
LEU A 307
ILE A 287
 None
 1.10A 3wdmB-1cu1A:
undetectable		 3wdmB-1cu1A:
18.79
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.
1fp9 4-ALPHA-GLUCANOTRANS
FERASE

(Thermus
thermophilus) 		PF02446
(Glyco_hydro_77) 		5 ALA A  29
GLY A  23
LEU A  49
LEU A  25
ASP A  73
 None
 1.04A 3wdmB-1fp9A:
1.2		 3wdmB-1fp9A:
21.62
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.
1k7y METHIONINE SYNTHASE

(Escherichia
coli) 		PF02310
(B12-binding)
PF02607
(B12-binding_2)
PF02965
(Met_synt_B12) 		5 ALA A1175
GLY A1066
LEU A 987
LEU A1095
ILE A 938
 B12  A1248 (-4.6A)
None
None
None
None
 1.11A 3wdmB-1k7yA:
4.5		 3wdmB-1k7yA:
19.82
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.
1o8c YHDH

(Escherichia
coli) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ALA A 141
ARG A 261
GLY A 235
LEU A 138
ILE A 150
 None
 1.17A 3wdmB-1o8cA:
2.2		 3wdmB-1o8cA:
22.16
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.
1qb4 PHOSPHOENOLPYRUVATE
CARBOXYLASE

(Escherichia
coli) 		PF00311
(PEPcase) 		5 ALA A  85
LEU A 178
LEU A  81
ASN A  83
ILE A 182
 None
 1.19A 3wdmB-1qb4A:
undetectable		 3wdmB-1qb4A:
16.15
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.
1qh1 PROTEIN (NITROGENASE
MOLYBDENUM IRON
PROTEIN)

(Klebsiella
pneumoniae) 		PF00148
(Oxidored_nitro)
PF11844
(DUF3364) 		5 ALA B 496
LEU B 465
LEU B 493
ASN B 488
ILE B 489
 None
 0.97A 3wdmB-1qh1B:
2.2		 3wdmB-1qh1B:
18.09
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.
1smk MALATE
DEHYDROGENASE,
GLYOXYSOMAL

(Citrullus
lanatus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ALA A 281
ARG A 284
GLY A 285
LEU A 187
ILE A 319
 None
 1.14A 3wdmB-1smkA:
3.7		 3wdmB-1smkA:
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.
1v5f PYRUVATE OXIDASE

(Aerococcus
viridans) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ALA A 200
LEU A 228
LEU A 276
ASN A 296
ILE A 212
 None
 1.01A 3wdmB-1v5fA:
9.6		 3wdmB-1v5fA:
19.14
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.
1wsv AMINOMETHYLTRANSFERA
SE

(Homo sapiens) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		5 ALA A 218
GLY A 166
LEU A 154
LEU A 215
ILE A 205
 ALA  A 218 ( 0.0A)
GLY  A 166 ( 0.0A)
LEU  A 154 ( 0.6A)
LEU  A 215 ( 0.6A)
ILE  A 205 ( 0.4A)
 1.10A 3wdmB-1wsvA:
undetectable		 3wdmB-1wsvA:
22.60
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.
1y2f CELL DIVISION
PROTEIN ZIPA

(Escherichia
coli) 		PF04354
(ZipA_C) 		5 GLY A  81
LEU A  29
LEU A  61
ASN A  14
ILE A  32
 None
 1.18A 3wdmB-1y2fA:
undetectable		 3wdmB-1y2fA:
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.
1zwm GAMMA CRYSTALLIN S

(Mus musculus) 		PF00030
(Crystall) 		5 GLY A  74
LEU A  61
LEU A  79
ASN A  76
ILE A  39
 None
 1.18A 3wdmB-1zwmA:
undetectable		 3wdmB-1zwmA:
19.10
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.
2d3y URACIL-DNA
GLYCOSYLASE

(Thermus
thermophilus) 		PF03167
(UDG) 		5 ALA A 112
GLY A  57
LEU A  54
LEU A 158
LEU A 150
 None
ACT  A 222 ( 4.7A)
None
None
None
 1.14A 3wdmB-2d3yA:
undetectable		 3wdmB-2d3yA:
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.
2efj 3,7-DIMETHYLXANTHINE
METHYLTRANSFERASE

(Coffea
canephora) 		PF03492
(Methyltransf_7) 		5 ARG A 118
LEU A 113
LEU A 120
ASN A 119
ILE A 133
 None
 1.15A 3wdmB-2efjA:
2.9		 3wdmB-2efjA:
19.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f9t PANTOTHENATE KINASE

(Pseudomonas
aeruginosa) 		PF03309
(Pan_kinase) 		5 GLY A  27
LEU A   5
LEU A  35
LEU A  28
ILE A  12
 None
 1.09A 3wdmB-2f9tA:
undetectable		 3wdmB-2f9tA:
21.72
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.
2fym ENOLASE

(Escherichia
coli) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 ALA A 247
GLY A 291
LEU A 259
ASP A 293
LEU A 292
 None
 0.96A 3wdmB-2fymA:
undetectable		 3wdmB-2fymA:
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.
2ghi TRANSPORT PROTEIN

(Plasmodium
yoelii) 		PF00005
(ABC_tran) 		5 GLY A 153
LEU A 141
LEU A 156
ASN A 151
ILE A 109
 None
 1.10A 3wdmB-2ghiA:
undetectable		 3wdmB-2ghiA:
25.42
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.
2j7n RNA-DEPENDENT RNA
POLYMERASE

(Neurospora
crassa) 		PF05183
(RdRP) 		5 ALA A 815
GLY A 817
LEU A 799
LEU A 820
ASN A 822
 None
 1.16A 3wdmB-2j7nA:
undetectable		 3wdmB-2j7nA:
13.32
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.
2j8k NP275-NP276

(Nostoc
punctiforme) 		PF00805
(Pentapeptide) 		5 ALA A 105
LEU A 112
LEU A 122
ASP A 121
ILE A 117
 None
 1.09A 3wdmB-2j8kA:
undetectable		 3wdmB-2j8kA:
24.05
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.
2j8k NP275-NP276

(Nostoc
punctiforme) 		PF00805
(Pentapeptide) 		5 ALA A 125
LEU A 112
LEU A 122
ASP A 121
ILE A 117
 None
 1.12A 3wdmB-2j8kA:
undetectable		 3wdmB-2j8kA:
24.05
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.
2j8k NP275-NP276

(Nostoc
punctiforme) 		PF00805
(Pentapeptide) 		5 ALA A 140
LEU A 127
LEU A 137
LEU A  97
ASN A  98
 None
None
None
None
MES  A1176 (-2.7A)
 1.05A 3wdmB-2j8kA:
undetectable		 3wdmB-2j8kA:
24.05
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.
2jjp CYTOCHROME P450
113A1

(Saccharopolyspora
erythraea) 		PF00067
(p450) 		5 ALA A 241
GLY A 355
LEU A 151
LEU A 238
LEU A 354
 HEM  A 412 ( 3.4A)
HEM  A 412 (-3.5A)
None
HEM  A 412 ( 4.5A)
HEM  A 412 ( 4.2A)
 1.20A 3wdmB-2jjpA:
undetectable		 3wdmB-2jjpA:
22.64
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.
2m6k FERRIENTEROBACTIN-BI
NDING PERIPLASMIC
PROTEIN

(Escherichia
coli) 		PF01497
(Peripla_BP_2) 		5 ALA A 251
GLY A 253
LEU A 259
ASN A 249
ILE A 194
 None
 1.15A 3wdmB-2m6kA:
2.2		 3wdmB-2m6kA:
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.
2pwz MALATE DEHYDROGENASE

(Escherichia
coli) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ALA A   9
GLY A  13
LEU A  46
LEU A  32
LEU A  16
 None
 1.17A 3wdmB-2pwzA:
3.4		 3wdmB-2pwzA:
23.69
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.
2vsa MOSQUITOCIDAL TOXIN

(Lysinibacillus
sphaericus) 		PF05588
(Botulinum_HA-17)
PF14200
(RicinB_lectin_2) 		5 ALA A 706
GLY A 693
LEU A 648
ASN A 695
ILE A 612
 None
 0.97A 3wdmB-2vsaA:
undetectable		 3wdmB-2vsaA:
13.43
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.
2w9m POLYMERASE X

(Deinococcus
radiodurans) 		PF14520
(HHH_5)
PF14716
(HHH_8) 		5 ALA A 238
GLY A 204
LEU A 224
LEU A 180
ILE A 235
 None
 1.08A 3wdmB-2w9mA:
undetectable		 3wdmB-2w9mA:
19.46
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.
2wwv N,N'-DIACETYLCHITOBI
OSE-SPECIFIC
PHOSPHOTRANSFERASE
ENZYME IIB COMPONENT

(Escherichia
coli) 		PF02302
(PTS_IIB) 		5 GLY D  91
LEU D  55
LEU D  19
LEU D  83
ILE D  79
 None
 1.15A 3wdmB-2wwvD:
undetectable		 3wdmB-2wwvD:
18.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x0i MALATE DEHYDROGENASE

(Archaeoglobus
fulgidus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ALA A  29
GLY A  33
LEU A  66
LEU A  51
ILE A  49
 None
 1.14A 3wdmB-2x0iA:
3.2		 3wdmB-2x0iA:
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.
2xc7 PHOSPHORYLATED
ADAPTER RNA EXPORT
PROTEIN

(Homo sapiens) 		PF10258
(RNA_GG_bind) 		6 ARG A  64
GLY A  68
LEU A  19
LEU A  71
ASN A  72
ILE A  27
 None
U  P 601 ( 3.6A)
None
A  P 600 ( 3.2A)
None
None
 1.46A 3wdmB-2xc7A:
undetectable		 3wdmB-2xc7A:
20.35
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.
2xes PROTEIN PAT1 HOMOLOG
1

(Homo sapiens) 		PF09770
(PAT1) 		5 ARG A 618
LEU A 692
LEU A 613
LEU A 620
ASN A 619
 None
 1.14A 3wdmB-2xesA:
undetectable		 3wdmB-2xesA:
21.32
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.
2xym RNA-DIRECTED RNA
POLYMERASE

(Hepacivirus C) 		PF00998
(RdRP_3) 		5 ALA A 519
ARG A 523
GLY A 522
LEU A 439
LEU A 525
 None
 1.09A 3wdmB-2xymA:
undetectable		 3wdmB-2xymA:
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.
3bwx ALPHA/BETA HYDROLASE

(Novosphingobium
aromaticivorans) 		PF12697
(Abhydrolase_6) 		5 ALA A 276
ARG A 279
GLY A 278
LEU A  47
ILE A 101
 None
 1.08A 3wdmB-3bwxA:
1.6		 3wdmB-3bwxA:
25.00
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.
3bwx ALPHA/BETA HYDROLASE

(Novosphingobium
aromaticivorans) 		PF12697
(Abhydrolase_6) 		5 ALA A 276
ARG A 279
GLY A 278
LEU A 281
ILE A 101
 None
 0.96A 3wdmB-3bwxA:
1.6		 3wdmB-3bwxA:
25.00
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.
3cl6 PUUE ALLANTOINASE

(Pseudomonas
fluorescens) 		PF01522
(Polysacc_deac_1) 		5 ALA A 271
ARG A 274
LEU A 258
LEU A 236
ILE A 256
 None
 1.19A 3wdmB-3cl6A:
undetectable		 3wdmB-3cl6A:
23.71
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.
3cmu PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		5 GLY A  55
LEU A  45
LEU A 328
LEU A  51
ILE A  49
 None
 1.17A 3wdmB-3cmuA:
undetectable		 3wdmB-3cmuA:
9.08
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.
3cmu PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		5 GLY A1055
LEU A1045
LEU A1328
LEU A1051
ILE A1049
 None
 1.15A 3wdmB-3cmuA:
undetectable		 3wdmB-3cmuA:
9.08
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.
3cmu PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		5 GLY A2055
LEU A2045
LEU A2328
LEU A2051
ILE A2049
 None
 1.11A 3wdmB-3cmuA:
undetectable		 3wdmB-3cmuA:
9.08
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.
3cmu PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		5 GLY A3055
LEU A3045
LEU A3328
LEU A3051
ILE A3049
 None
 1.16A 3wdmB-3cmuA:
undetectable		 3wdmB-3cmuA:
9.08
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.
3cmu PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		5 GLY A4055
LEU A4045
LEU A4328
LEU A4051
ILE A4049
 None
 1.14A 3wdmB-3cmuA:
undetectable		 3wdmB-3cmuA:
9.08
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.
3cmu PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		5 GLY A5055
LEU A5045
LEU A5328
LEU A5051
ILE A5049
 None
 1.19A 3wdmB-3cmuA:
undetectable		 3wdmB-3cmuA:
9.08
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.
3du1 ALL3740 PROTEIN

(Nostoc sp. PCC
7120) 		PF00805
(Pentapeptide) 		5 ALA X 160
LEU X 147
LEU X 157
LEU X 112
ASN X 113
 None
 1.19A 3wdmB-3du1X:
undetectable		 3wdmB-3du1X:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gcf TERMINAL OXYGENASE
COMPONENT OF
CARBAZOLE
1,9A-DIOXYGENASE

(Nocardioides
aromaticivorans) 		PF00355
(Rieske)
PF11723
(Aromatic_hydrox) 		5 ALA A  64
LEU A  60
LEU A 105
ASP A 106
ILE A  71
 None
 1.16A 3wdmB-3gcfA:
undetectable		 3wdmB-3gcfA:
19.55
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.
3hut PUTATIVE
BRANCHED-CHAIN AMINO
ACID ABC TRANSPORTER

(Rhodospirillum
rubrum) 		PF13458
(Peripla_BP_6) 		5 ALA A 321
GLY A 323
LEU A 113
LEU A 326
ILE A  84
 None
 1.00A 3wdmB-3hutA:
undetectable		 3wdmB-3hutA:
20.51
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.
3hut PUTATIVE
BRANCHED-CHAIN AMINO
ACID ABC TRANSPORTER

(Rhodospirillum
rubrum) 		PF13458
(Peripla_BP_6) 		5 ALA A 328
ARG A 331
GLY A 330
LEU A  43
LEU A 341
 None
 1.08A 3wdmB-3hutA:
undetectable		 3wdmB-3hutA:
20.51
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.
3i4k MUCONATE LACTONIZING
ENZYME

(Corynebacterium
glutamicum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A 220
ARG A 189
LEU A 217
LEU A 187
ILE A 199
 ALA  A 220 ( 0.0A)
ARG  A 189 ( 0.6A)
LEU  A 217 ( 0.6A)
LEU  A 187 ( 0.6A)
ILE  A 199 ( 0.4A)
 1.19A 3wdmB-3i4kA:
undetectable		 3wdmB-3i4kA:
22.28
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.
3khf MICROTUBULE-ASSOCIAT
ED
SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo sapiens) 		PF00595
(PDZ) 		5 GLY A1027
LEU A1032
LEU A1023
ASN A1007
ILE A1006
 None
 1.20A 3wdmB-3khfA:
undetectable		 3wdmB-3khfA:
18.68
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.
3l0g NICOTINATE-NUCLEOTID
E PYROPHOSPHORYLASE

(Ehrlichia
chaffeensis) 		PF01729
(QRPTase_C)
PF02749
(QRPTase_N) 		5 ALA A  86
GLY A  84
LEU A  52
ASN A  35
ILE A  38
 None
 0.96A 3wdmB-3l0gA:
undetectable		 3wdmB-3l0gA:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mq3 PYRUVATE
DEHYDROGENASE
PHOSPHATASE 1

(Bos taurus) 		PF00481
(PP2C) 		5 ALA A 203
GLY A  70
LEU A 165
LEU A  88
ILE A  92
 None
 1.15A 3wdmB-3mq3A:
undetectable		 3wdmB-3mq3A:
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.
3n05 NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Streptomyces
avermitilis) 		PF00795
(CN_hydrolase)
PF02540
(NAD_synthase) 		5 ALA A   6
LEU A 181
LEU A  38
LEU A  86
ILE A 156
 None
 1.10A 3wdmB-3n05A:
undetectable		 3wdmB-3n05A:
18.68
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.
3nqn UNCHARACTERIZED
PROTEIN

(Deinococcus
radiodurans) 		PF12723
(DUF3809) 		5 ALA A 134
ARG A 137
GLY A 136
LEU A 114
LEU A 139
 None
 1.09A 3wdmB-3nqnA:
undetectable		 3wdmB-3nqnA:
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.
3psf TRANSCRIPTION
ELONGATION FACTOR
SPT6

(Saccharomyces
cerevisiae) 		PF14635
(HHH_7)
PF14639
(YqgF)
PF14641
(HTH_44)
PF14878
(DLD) 		5 ALA A1079
LEU A1028
LEU A1073
ASN A1074
ILE A1097
 None
 1.13A 3wdmB-3psfA:
undetectable		 3wdmB-3psfA:
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.
3psi TRANSCRIPTION
ELONGATION FACTOR
SPT6

(Saccharomyces
cerevisiae) 		PF14635
(HHH_7)
PF14639
(YqgF)
PF14641
(HTH_44)
PF14878
(DLD) 		5 ALA A1079
LEU A1028
LEU A1073
ASN A1074
ILE A1097
 None
 1.18A 3wdmB-3psiA:
undetectable		 3wdmB-3psiA:
13.87
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.
3qat MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE

(Bartonella
henselae) 		PF00698
(Acyl_transf_1) 		5 ALA A  67
LEU A  55
LEU A  43
ASP A  36
ILE A  46
 None
None
None
EDO  A 315 ( 4.7A)
None
 1.19A 3wdmB-3qatA:
undetectable		 3wdmB-3qatA:
22.91
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.
3qdl OXYGEN-INSENSITIVE
NADPH NITROREDUCTASE

(Helicobacter
pylori) 		PF00881
(Nitroreductase) 		5 ALA A  80
LEU A  33
LEU A 188
LEU A 156
ILE A  36
 None
 1.15A 3wdmB-3qdlA:
undetectable		 3wdmB-3qdlA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rd8 FUMARATE HYDRATASE
CLASS II

(Mycolicibacterium
smegmatis) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		5 ALA A 254
GLY A 252
LEU A 256
ASN A 249
ILE A 147
 None
 1.15A 3wdmB-3rd8A:
undetectable		 3wdmB-3rd8A:
19.92
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.
3rr5 DNA LIGASE

(Thermococcus
sp. 1519) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		5 GLY A 309
LEU A 353
LEU A 349
ASN A 348
ILE A 352
 None
 0.99A 3wdmB-3rr5A:
undetectable		 3wdmB-3rr5A:
18.67
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.
3ulk KETOL-ACID
REDUCTOISOMERASE

(Escherichia
coli) 		PF01450
(IlvC)
PF07991
(IlvN) 		5 ALA A 363
GLY A 368
LEU A 432
LEU A 371
ILE A 295
 ALA  A 363 ( 0.0A)
GLY  A 368 ( 0.0A)
LEU  A 432 ( 0.5A)
LEU  A 371 ( 0.5A)
ILE  A 295 ( 0.6A)
 1.20A 3wdmB-3ulkA:
undetectable		 3wdmB-3ulkA:
20.33
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.
3v65 LOW-DENSITY
LIPOPROTEIN
RECEPTOR-RELATED
PROTEIN 4

(Rattus
norvegicus) 		PF00058
(Ldl_recept_b)
PF14670
(FXa_inhibition) 		5 ALA B 558
GLY B 515
LEU B 561
ASP B 686
LEU B 516
 None
 1.20A 3wdmB-3v65B:
undetectable		 3wdmB-3v65B:
20.82
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.
3v9a ESTERASE/LIPASE

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 GLY A 148
LEU A 230
LEU A 247
ASP A 243
ILE A 232
 None
 0.92A 3wdmB-3v9aA:
undetectable		 3wdmB-3v9aA:
22.40
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.
3wnv GLYOXYLATE REDUCTASE

(Paecilomyces
sp.
'thermophila') 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 ALA A 252
ARG A 255
LEU A 230
LEU A 257
ILE A 239
 None
 0.98A 3wdmB-3wnvA:
undetectable		 3wdmB-3wnvA:
24.56
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.
3zg1 NICKEL AND COBALT
RESISTANCE PROTEIN
CNRR

(Cupriavidus
metallidurans) 		PF13801
(Metal_resist) 		5 ALA A 142
GLY A 146
LEU A 117
LEU A  41
ASP A  40
 None
 1.14A 3wdmB-3zg1A:
undetectable		 3wdmB-3zg1A:
22.35
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.
4aee ALPHA AMYLASE,
CATALYTIC REGION

(Staphylothermus
marinus) 		PF00128
(Alpha-amylase) 		5 ALA A 494
ARG A 512
LEU A 556
LEU A 491
ASN A 515
 None
 1.07A 3wdmB-4aeeA:
undetectable		 3wdmB-4aeeA:
18.60
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.
4asy GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Pseudomonas
aeruginosa) 		PF00483
(NTP_transferase) 		5 GLY A 174
LEU A  43
ASP A 110
LEU A 108
ILE A   7
 None
 1.19A 3wdmB-4asyA:
undetectable		 3wdmB-4asyA:
20.95
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.
4ayx ATP-BINDING CASSETTE
SUB-FAMILY B MEMBER
10

(Homo sapiens) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		5 ALA A 461
ARG A 464
GLY A 463
LEU A 160
LEU A 282
 None
 1.06A 3wdmB-4ayxA:
undetectable		 3wdmB-4ayxA:
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.
4cjx C-1-TETRAHYDROFOLATE
SYNTHASE,
CYTOPLASMIC,
PUTATIVE

(Trypanosoma
brucei) 		PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C) 		5 ALA A  93
ARG A  66
GLY A  37
LEU A  38
ILE A  97
 None
 1.12A 3wdmB-4cjxA:
undetectable		 3wdmB-4cjxA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e0b MALATE DEHYDROGENASE

(Vibrio
vulnificus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ALA A   9
GLY A  13
LEU A  46
LEU A  32
LEU A  16
 None
 1.19A 3wdmB-4e0bA:
undetectable		 3wdmB-4e0bA:
23.99
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.
4ex5 LYSINE--TRNA LIGASE

(Burkholderia
thailandensis) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		5 ALA A  69
ARG A 124
GLY A 125
LEU A  49
ILE A  95
 None
 1.06A 3wdmB-4ex5A:
undetectable		 3wdmB-4ex5A:
18.68
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.
4fgm AMINOPEPTIDASE N
FAMILY PROTEIN

(Idiomarina
loihiensis) 		PF05299
(Peptidase_M61)
PF13180
(PDZ_2) 		5 ALA A 489
LEU A 561
LEU A 514
LEU A 498
ILE A 548
 None
 1.16A 3wdmB-4fgmA:
undetectable		 3wdmB-4fgmA:
21.10
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.
4hz8 BETA-GLUCOSIDASE

(uncultured
bacterium) 		PF00232
(Glyco_hydro_1) 		5 ALA A 417
ARG A 420
LEU A 371
LEU A 422
ILE A 383
 None
 1.14A 3wdmB-4hz8A:
undetectable		 3wdmB-4hz8A:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iyk UNCHARACTERIZED
PROTEIN

(Bacteroides
uniformis) 		PF12866
(DUF3823) 		5 ALA A 201
LEU A 197
LEU A 170
ASN A 171
ILE A 134
 None
 1.14A 3wdmB-4iykA:
undetectable		 3wdmB-4iykA:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jqo ORNITHINE
CARBAMOYLTRANSFERASE

(Vibrio
vulnificus) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 GLY A 104
LEU A 118
LEU A  98
ASN A  48
ILE A  52
 None
 1.19A 3wdmB-4jqoA:
undetectable		 3wdmB-4jqoA:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jrm 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Vibrio cholerae) 		no annotation 5 ALA D 183
ARG D 100
GLY D 155
ASN D 157
ILE D 158
 None
 1.16A 3wdmB-4jrmD:
undetectable		 3wdmB-4jrmD:
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.
4kyz DESIGNED PROTEIN
OR327

(synthetic
construct) 		no annotation 5 GLY A 160
LEU A  36
LEU A  74
ASN A  77
ILE A  40
 None
 1.20A 3wdmB-4kyzA:
undetectable		 3wdmB-4kyzA:
23.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mb2 PHOSPHOPANTOTHENATE
SYNTHETASE

(Thermococcus
onnurineus) 		PF02006
(PPS_PS) 		10 ALA A  36
ARG A  39
GLY A  40
LEU A  83
LEU A 161
ASP A 181
LEU A 182
ASN A 183
ASN A 199
ILE A 200
 ATP  A 301 (-3.3A)
ATP  A 301 (-3.2A)
ATP  A 301 (-3.4A)
None
ATP  A 301 (-3.9A)
ATP  A 301 (-2.7A)
ATP  A 301 (-3.8A)
None
ATP  A 301 (-3.0A)
ATP  A 301 (-4.3A)
 0.49A 3wdmB-4mb2A:
41.7		 3wdmB-4mb2A:
90.80
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.
4r6l BACTERIOPHYTOCHROME
(LIGHT-REGULATED
SIGNAL TRANSDUCTION
HISTIDINE KINASE),
PHYB1

(Rhodopseudomonas
palustris) 		PF00360
(PHY)
PF01590
(GAF)
PF08446
(PAS_2) 		5 ALA A 328
ARG A 331
LEU A 357
LEU A 333
ASN A 335
 None
 1.05A 3wdmB-4r6lA:
undetectable		 3wdmB-4r6lA:
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.
4u2m ZINC FINGER AND BTB
DOMAIN-CONTAINING
PROTEIN 17,B-CELL
LYMPHOMA 6 PROTEIN

(Homo sapiens) 		PF00651
(BTB) 		5 ALA A 232
GLY A 205
LEU A 220
ASN A 224
ILE A 225
 None
 1.12A 3wdmB-4u2mA:
undetectable		 3wdmB-4u2mA:
23.59
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.
4u9c LACTOFERRIN-BINDING
PROTEIN B

(Neisseria
meningitidis) 		PF01298
(TbpB_B_D)
PF17484
(TbpB_A) 		5 ARG A 327
GLY A 326
LEU A 245
LEU A 312
ILE A 273
 None
 1.05A 3wdmB-4u9cA:
undetectable		 3wdmB-4u9cA:
21.45
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.
4w7g DYNEIN LIGHT
INTERMEDIATE CHAIN

(Chaetomium
thermophilum) 		PF05783
(DLIC) 		5 GLY A 288
LEU A 282
LEU A 139
ASN A 137
ILE A 283
 None
 1.16A 3wdmB-4w7gA:
undetectable		 3wdmB-4w7gA:
20.55
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.
4z1a 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE

(Helicobacter
pylori) 		PF00793
(DAHP_synth_1) 		5 ALA A  30
GLY A  16
LEU A  73
LEU A  26
ILE A  20
 None
 0.96A 3wdmB-4z1aA:
undetectable		 3wdmB-4z1aA:
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.
4z61 PHYTOSULFOKINE
RECEPTOR 1

(Daucus carota) 		PF00560
(LRR_1)
PF13855
(LRR_8) 		5 ALA A 236
LEU A 226
LEU A 213
ASN A 239
ILE A 198
 None
 1.08A 3wdmB-4z61A:
undetectable		 3wdmB-4z61A:
15.77
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.
4z61 PHYTOSULFOKINE
RECEPTOR 1

(Daucus carota) 		PF00560
(LRR_1)
PF13855
(LRR_8) 		5 GLY A 212
LEU A 218
LEU A 237
LEU A 211
ILE A 198
 None
 1.10A 3wdmB-4z61A:
undetectable		 3wdmB-4z61A:
15.77
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.
5e3c DIPEPTIDYL PEPTIDASE
3

(Homo sapiens) 		PF03571
(Peptidase_M49) 		5 GLY A 515
LEU A 520
LEU A 516
ASN A 542
ILE A 539
 None
 1.18A 3wdmB-5e3cA:
undetectable		 3wdmB-5e3cA:
17.15
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.
5gai TAIL FIBER PROTEIN

(Salmonella
virus P22) 		no annotation 5 ALA Y 399
GLY Y 368
LEU Y 420
ASP Y 412
ILE Y 415
 None
 0.99A 3wdmB-5gaiY:
undetectable		 3wdmB-5gaiY:
17.55
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.
5gj3 PERIPLASMIC BINDING
PROTEIN

(Roseiflexus sp.
RS-1) 		PF01497
(Peripla_BP_2) 		5 ALA A 162
ARG A 142
GLY A 164
ASP A 122
LEU A 144
 ZN  A 403 ( 4.8A)
HEM  A 401 (-3.2A)
None
None
None
 1.17A 3wdmB-5gj3A:
undetectable		 3wdmB-5gj3A:
25.43
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.
5hfi UNCHARACTERIZED
PROTEIN, CYTOSOLIC
DISULFIDE REDUCTASE
DSBM

(Pseudomonas
aeruginosa) 		PF01323
(DSBA) 		5 ALA A  93
LEU A 133
ASP A  11
LEU A  13
ILE A 116
 ALA  A  93 ( 0.0A)
LEU  A 133 ( 0.6A)
ASP  A  11 ( 0.5A)
LEU  A  13 ( 0.6A)
ILE  A 116 ( 0.7A)
 1.19A 3wdmB-5hfiA:
undetectable		 3wdmB-5hfiA:
23.72
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.
5k8b 8-AMINO-3,8-DIDEOXY-
ALPHA-D-MANNO-OCTULO
SONATE TRANSAMINASE

(Shewanella
oneidensis) 		PF01041
(DegT_DnrJ_EryC1) 		5 ALA A 127
LEU A 112
LEU A 154
ASN A 151
ILE A 143
 None
 1.16A 3wdmB-5k8bA:
undetectable		 3wdmB-5k8bA:
20.82
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.
5l9w ACETOPHENONE
CARBOXYLASE ALPHA
SUBUNIT

(Aromatoleum
aromaticum) 		PF01968
(Hydantoinase_A)
PF05378
(Hydant_A_N) 		5 ARG b 191
GLY b 179
LEU b 145
LEU b 178
ILE b 158
 None
 1.10A 3wdmB-5l9wb:
undetectable		 3wdmB-5l9wb:
17.95
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.
5lu4 PYRUVATE, PHOSPHATE
DIKINASE,
CHLOROPLASTIC

(Flaveria
trinervia) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C) 		5 GLY A 113
LEU A  72
LEU A 112
ASN A 111
ILE A 240
 None
 1.13A 3wdmB-5lu4A:
undetectable		 3wdmB-5lu4A:
16.77
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.
5mg5 HYDROXYMETHYLGLUTARY
L-COA SYNTHASE

(Pseudomonas
protegens) 		no annotation 6 ALA A 175
GLY A   7
LEU A 122
LEU A 313
ASP A 178
ILE A 311
 None
 1.29A 3wdmB-5mg5A:
undetectable		 3wdmB-5mg5A:
19.68
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.
5n1x B-CELL LYMPHOMA 6
PROTEIN

(Homo sapiens) 		PF00651
(BTB) 		5 ALA D 109
GLY D  82
LEU D  97
ASN D 101
ILE D 102
 None
 1.03A 3wdmB-5n1xD:
undetectable		 3wdmB-5n1xD:
18.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5td8 KINETOCHORE PROTEIN
SPC24
KINETOCHORE PROTEIN
SPC25

(Saccharomyces
cerevisiae) 		PF08286
(Spc24)
no annotation 		5 ALA D 207
GLY C 169
LEU D 145
LEU C 211
ILE C 207
 None
 1.14A 3wdmB-5td8D:
undetectable		 3wdmB-5td8D:
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.
5tx7 D-ISOMER SPECIFIC
2-HYDROXYACID
DEHYDROGENASE FAMILY
PROTEIN

(Desulfovibrio
vulgaris) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 GLY A   8
LEU A  27
LEU A  49
LEU A  11
ILE A  21
 None
 1.21A 3wdmB-5tx7A:
undetectable		 3wdmB-5tx7A:
24.93
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.
5uyr BACTERIOPHYTOCHROME

(Xanthomonas
campestris) 		no annotation 5 ALA A 586
ARG A 591
GLY A 590
LEU A 613
ILE A 533
 None
 1.09A 3wdmB-5uyrA:
undetectable		 3wdmB-5uyrA:
14.96
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.
5ve8 KAP123

(Kluyveromyces
lactis) 		no annotation 5 ALA A 848
LEU A 800
LEU A 780
LEU A 853
ILE A 788
 None
 1.09A 3wdmB-5ve8A:
undetectable		 3wdmB-5ve8A:
13.29
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.
5wdx JFH-1 NS3

(Hepacivirus C) 		no annotation 5 ARG A 512
GLY A 304
LEU A 228
LEU A 307
ILE A 287
 None
 1.09A 3wdmB-5wdxA:
undetectable		 3wdmB-5wdxA:
18.99
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.
5x9o B-CELL LYMPHOMA 6
PROTEIN

(Homo sapiens) 		PF00651
(BTB) 		5 ALA A 109
GLY A  82
LEU A  97
ASN A 101
ILE A 102
 None
 1.16A 3wdmB-5x9oA:
undetectable		 3wdmB-5x9oA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xa5 ALPHA-CATENIN-LIKE
PROTEIN HMP-1

(Caenorhabditis
elegans) 		PF01044
(Vinculin) 		5 ALA A 119
GLY A 123
LEU A 126
ASN A 125
ILE A 100
 None
 1.18A 3wdmB-5xa5A:
undetectable		 3wdmB-5xa5A:
25.33
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.
5y6t ENDO-1,4-BETA-MANNAN
ASE

(Eisenia fetida) 		no annotation 5 ALA A 170
GLY A 172
LEU A 376
LEU A  20
ILE A 374
 None
 1.11A 3wdmB-5y6tA:
undetectable		 3wdmB-5y6tA:
16.98
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.
5z06 BDI_3064 PROTEIN

(Parabacteroides
distasonis) 		no annotation 5 ALA A 116
ARG A 138
LEU A 137
ASN A 136
ILE A 189
 None
 1.17A 3wdmB-5z06A:
undetectable		 3wdmB-5z06A:
11.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b5e GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Mycobacterium
tuberculosis) 		no annotation 5 GLY A 171
LEU A  41
ASP A 108
LEU A 106
ILE A   5
 DAU  A 301 ( 4.3A)
None
MG  A 302 ( 2.5A)
DAU  A 301 (-3.9A)
None
 1.16A 3wdmB-6b5eA:
undetectable		 3wdmB-6b5eA:
11.49
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.
6f85 CYTOCHROME P450
CYP260A1

(Sorangium
cellulosum) 		no annotation 5 ALA A 177
ARG A 176
GLY A 179
LEU A 224
ILE A 185
 None
 1.10A 3wdmB-6f85A:
undetectable		 3wdmB-6f85A:
13.16