SIMILAR PATTERNS OF AMINO ACIDS FOR 3RUK_D_AERD601_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.
1a4i METHYLENETETRAHYDROF
OLATE DEHYDROGENASE
/
METHENYLTETRAHYDROFO
LATE CYCLOHYDROLASE


(Homo sapiens)
PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C)
5 ALA A 179
ARG A 137
ASP A 183
GLY A 133
ALA A 132
None
1.20A 3rukD-1a4iA:
undetectable
3rukD-1a4iA:
21.82
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.
1amo NADPH-CYTOCHROME
P450 REDUCTASE


(Rattus
norvegicus)
PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1)
5 ALA A 112
PHE A  83
ASN A  79
GLY A 109
THR A  76
None
0.96A 3rukD-1amoA:
undetectable
3rukD-1amoA:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1avm SUPEROXIDE DISMUTASE

(Propionibacterium
freudenreichii)
PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C)
5 ILE A 100
ASP A 108
ALA A 112
THR A 115
VAL A 179
None
1.18A 3rukD-1avmA:
undetectable
3rukD-1avmA:
19.05
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.
1b1c PROTEIN
(NADPH-CYTOCHROME
P450 REDUCTASE)


(Homo sapiens)
PF00258
(Flavodoxin_1)
5 ALA A  52
PHE A  23
ASN A  19
GLY A  49
THR A  16
None
0.96A 3rukD-1b1cA:
undetectable
3rukD-1b1cA:
17.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ef9 METHYLMALONYL COA
DECARBOXYLASE


(Escherichia
coli)
PF00378
(ECH_1)
5 PHE A  32
ILE A  88
GLY A 110
ALA A 111
VAL A 103
None
None
2CP  A 270 (-3.4A)
None
None
1.21A 3rukD-1ef9A:
undetectable
3rukD-1ef9A:
18.15
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.
1fcu HYALURONOGLUCOSAMINI
DASE


(Apis mellifera)
PF01630
(Glyco_hydro_56)
5 ALA A 248
TYR A  14
ILE A 299
GLY A 297
ALA A 295
None
1.20A 3rukD-1fcuA:
undetectable
3rukD-1fcuA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gz6 ESTRADIOL 17
BETA-DEHYDROGENASE 4


(Rattus
norvegicus)
PF00106
(adh_short)
5 TYR A 164
ILE A 119
GLY A 101
ALA A 100
VAL A 130
NAI  A1306 (-4.4A)
None
NAI  A1306 (-3.6A)
NAI  A1306 (-3.4A)
None
1.10A 3rukD-1gz6A:
undetectable
3rukD-1gz6A:
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.
1l5j ACONITATE HYDRATASE
2


(Escherichia
coli)
PF00330
(Aconitase)
PF06434
(Aconitase_2_N)
PF11791
(Aconitase_B_N)
5 TYR A 843
ASN A 713
ILE A 714
ALA A 808
THR A 788
None
1.12A 3rukD-1l5jA:
undetectable
3rukD-1l5jA:
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.
1lns X-PROLYL DIPEPTIDYL
AMINOPEPTIDASE


(Lactococcus
lactis)
PF02129
(Peptidase_S15)
PF08530
(PepX_C)
PF09168
(PepX_N)
5 ALA A 283
ASN A 318
ILE A 314
GLY A 340
ALA A 338
None
1.08A 3rukD-1lnsA:
undetectable
3rukD-1lnsA:
20.32
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.
1ne7 GLUCOSAMINE-6-PHOSPH
ATE ISOMERASE


(Homo sapiens)
PF01182
(Glucosamine_iso)
5 ALA A  12
ILE A 201
ALA A 243
THR A 244
VAL A 252
None
1.21A 3rukD-1ne7A:
undetectable
3rukD-1ne7A:
19.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nr6 CYTOCHROME P450 2C5

(Oryctolagus
cuniculus)
PF00067
(p450)
7 ALA A 113
PHE A 114
ASP A 290
GLY A 293
ALA A 294
THR A 298
VAL A 474
DIF  A 501 (-3.6A)
DIF  A 501 (-4.5A)
None
DIF  A 501 (-3.8A)
DIF  A 501 ( 3.3A)
HEM  A 500 ( 3.6A)
None
1.38A 3rukD-1nr6A:
43.4
3rukD-1nr6A:
32.81
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.
1o9j ALDEHYDE
DEHYDROGENASE,
CYTOSOLIC 1


(Elephantulus
edwardii)
PF00171
(Aldedh)
5 ALA A 117
ASN A  41
GLY A 111
ALA A 110
THR A 197
None
1.14A 3rukD-1o9jA:
undetectable
3rukD-1o9jA:
21.48
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.
1sb3 4-HYDROXYBENZOYL-COA
REDUCTASE ALPHA
SUBUNIT


(Thauera
aromatica)
PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2)
5 ALA A 356
TYR A 217
ASN A 518
THR A 448
VAL A 445
PCD  A1920 ( 4.2A)
None
None
None
None
1.04A 3rukD-1sb3A:
undetectable
3rukD-1sb3A:
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.
1sqj OLIGOXYLOGLUCAN
REDUCING-END-SPECIFI
C CELLOBIOHYDROLASE


(Geotrichum sp.
M128)
PF15899
(BNR_6)
5 ALA A 294
ASN A 216
GLY A 220
ALA A 221
VAL A 279
None
0.93A 3rukD-1sqjA:
undetectable
3rukD-1sqjA:
19.88
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.
1tuu ACETATE KINASE

(Methanosarcina
thermophila)
PF00871
(Acetate_kinase)
5 ASN A 335
GLY A 331
ALA A 330
THR A 382
VAL A 187
ADP  A 401 (-3.7A)
ADP  A 401 (-3.2A)
ADP  A 401 ( 3.9A)
None
None
1.17A 3rukD-1tuuA:
undetectable
3rukD-1tuuA:
23.22
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.
1tuu ACETATE KINASE

(Methanosarcina
thermophila)
PF00871
(Acetate_kinase)
6 PHE A 305
ASN A 335
GLY A 331
ALA A 330
THR A 329
VAL A 327
None
ADP  A 401 (-3.7A)
ADP  A 401 (-3.2A)
ADP  A 401 ( 3.9A)
None
None
1.22A 3rukD-1tuuA:
undetectable
3rukD-1tuuA:
23.22
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.
1wa4 PCZA361.16

(Amycolatopsis
orientalis)
PF00908
(dTDP_sugar_isom)
5 ALA A 153
TYR A  64
ILE A  89
ASP A 151
ALA A 177
None
1.20A 3rukD-1wa4A:
undetectable
3rukD-1wa4A:
17.75
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.
1xf1 C5A PEPTIDASE

(Streptococcus
pyogenes)
PF00082
(Peptidase_S8)
PF02225
(PA)
PF06280
(fn3_5)
PF13585
(CHU_C)
5 ALA A 760
PHE A 758
ARG A 811
GLY A 796
ALA A 795
None
1.05A 3rukD-1xf1A:
undetectable
3rukD-1xf1A:
18.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yqe HYPOTHETICAL UPF0204
PROTEIN AF0625


(Archaeoglobus
fulgidus)
PF04414
(tRNA_deacylase)
5 ALA A 236
ILE A 202
GLY A 189
THR A 137
VAL A  89
None
1.21A 3rukD-1yqeA:
undetectable
3rukD-1yqeA:
23.82
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.
1ytm PHOSPHOENOLPYRUVATE
CARBOXYKINASE [ATP]


(Anaerobiospirillum
succiniciproducens)
PF01293
(PEPCK_ATP)
5 ALA A 425
ILE A 221
GLY A 271
ALA A 347
VAL A 351
None
1.08A 3rukD-1ytmA:
undetectable
3rukD-1ytmA:
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.
1zwt MAJOR STRUCTURAL
SUBUNIT OF
BUNDLE-FORMING PILUS


(Escherichia
coli)
PF05307
(Bundlin)
5 ALA A 130
PHE A 122
ASN A 117
GLY A 115
THR A  62
None
1.19A 3rukD-1zwtA:
undetectable
3rukD-1zwtA:
14.31
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.
2ay9 AROMATIC AMINO ACID
AMINOTRANSFERASE


(Paracoccus
denitrificans)
PF00155
(Aminotran_1_2)
5 ASN A 393
ILE A 397
GLY A 391
ALA A 390
VAL A 326
None
1.16A 3rukD-2ay9A:
undetectable
3rukD-2ay9A:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bxy MALTOOLIGOSYLTREHALO
SE TREHALOHYDROLASE


(Deinococcus
radiodurans)
PF00128
(Alpha-amylase)
PF02922
(CBM_48)
PF11941
(DUF3459)
5 ALA A 104
GLY A  26
ALA A  27
THR A  36
VAL A  73
None
1.13A 3rukD-2bxyA:
undetectable
3rukD-2bxyA:
20.23
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.
2c7z 3-KETOACYL-COA
THIOLASE 2


(Arabidopsis
thaliana)
PF00108
(Thiolase_N)
PF02803
(Thiolase_C)
5 ALA A 119
GLY A 299
ALA A 298
THR A  60
VAL A 241
None
0.99A 3rukD-2c7zA:
undetectable
3rukD-2c7zA:
22.09
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.
2cwl MANGANESE-FREE
PSEUDOCATALASE


(Thermus
thermophilus)
PF05067
(Mn_catalase)
5 ALA A 121
TYR A 291
ASP A 277
GLY A 275
ALA A 274
None
1.17A 3rukD-2cwlA:
undetectable
3rukD-2cwlA:
19.88
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.
2f6b FAMILY 11 XYLANASE

(Bacillus)
PF00457
(Glyco_hydro_11)
5 ALA A 192
ASN A  45
GLY A 185
ALA A  80
VAL A  98
None
1.18A 3rukD-2f6bA:
undetectable
3rukD-2f6bA:
17.34
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.
2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)


(Severe acute
respiratory
syndrome-related
coronavirus)
PF01661
(Macro)
5 PHE A 133
ILE A  42
GLY A  79
ALA A 113
VAL A  37
None
0.84A 3rukD-2favA:
undetectable
3rukD-2favA:
17.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hi4 CYTOCHROME P450 1A2

(Homo sapiens)
PF00067
(p450)
5 PHE A 125
ASP A 313
GLY A 316
ALA A 317
THR A 321
None
BHF  A 800 (-3.9A)
BHF  A 800 (-3.8A)
HEM  A 900 ( 3.5A)
HEM  A 900 ( 3.1A)
0.72A 3rukD-2hi4A:
40.9
3rukD-2hi4A:
32.31
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.
2iir ACETATE KINASE

(Thermotoga
maritima)
PF00871
(Acetate_kinase)
6 ALA A 212
ASN A 335
GLY A 331
ALA A 330
THR A 384
VAL A 186
None
1.27A 3rukD-2iirA:
undetectable
3rukD-2iirA:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iir ACETATE KINASE

(Thermotoga
maritima)
PF00871
(Acetate_kinase)
5 ALA A 212
ASN A 335
GLY A 331
ALA A 330
VAL A 327
None
1.02A 3rukD-2iirA:
undetectable
3rukD-2iirA:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iir ACETATE KINASE

(Thermotoga
maritima)
PF00871
(Acetate_kinase)
5 ASN A 335
GLY A 331
ALA A 330
THR A 329
VAL A 327
None
1.21A 3rukD-2iirA:
undetectable
3rukD-2iirA:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ldx APO-LACTATE
DEHYDROGENASE


(Mus musculus)
PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C)
5 ALA A  52
ASN A 112
GLY A  96
ALA A  95
VAL A 123
None
1.21A 3rukD-2ldxA:
undetectable
3rukD-2ldxA:
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.
2n4x CYTOCHROME C-TYPE
BIOGENESIS PROTEIN
(CCDA)


(Archaeoglobus
fulgidus)
no annotation 5 ALA A 118
GLY A 173
ALA A 174
THR A 149
VAL A 153
None
1.15A 3rukD-2n4xA:
undetectable
3rukD-2n4xA:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p4o HYPOTHETICAL PROTEIN

(Nostoc
punctiforme)
no annotation 5 ALA A 115
ARG A 160
ASP A 133
GLY A 137
ALA A 138
None
1.18A 3rukD-2p4oA:
undetectable
3rukD-2p4oA:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qjj MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME


(Novosphingobium
aromaticivorans)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
5 ILE A   9
ASP A  33
GLY A  32
ALA A  88
VAL A  51
None
1.18A 3rukD-2qjjA:
undetectable
3rukD-2qjjA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r3b YJEF-RELATED PROTEIN

(Enterococcus
faecalis)
PF01256
(Carb_kinase)
5 ILE A 262
ASP A 216
GLY A 220
ALA A 219
VAL A 185
None
EDO  A 294 (-3.4A)
None
None
None
1.19A 3rukD-2r3bA:
undetectable
3rukD-2r3bA:
19.53
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.
2rgh ALPHA-GLYCEROPHOSPHA
TE OXIDASE


(Streptococcus
sp.)
PF01266
(DAO)
PF16901
(DAO_C)
5 ALA A 131
TYR A 274
GLY A  66
THR A 431
VAL A  89
None
None
None
FAD  A 609 (-4.3A)
None
1.11A 3rukD-2rghA:
undetectable
3rukD-2rghA:
21.48
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.
2ri8 MANNOSYL-OLIGOSACCHA
RIDE
ALPHA-1,2-MANNOSIDAS
E


(Penicillium
citrinum)
PF01532
(Glyco_hydro_47)
5 ASN A1194
ILE A1248
ASP A1266
ALA A1197
THR A1201
None
None
None
GOL  A1900 (-3.3A)
None
1.20A 3rukD-2ri8A:
undetectable
3rukD-2ri8A:
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.
2rld UNCHARACTERIZED
PROTEIN


(Bacteroides
thetaiotaomicron)
PF05635
(23S_rRNA_IVP)
5 TYR A  96
ASN A 100
ILE A  99
ALA A  75
VAL A  10
None
1.10A 3rukD-2rldA:
undetectable
3rukD-2rldA:
12.65
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.
2y9e MYOSIN-2

(Dictyostelium
discoideum)
PF00063
(Myosin_head)
PF02736
(Myosin_N)
5 ALA X 183
ASN X 475
ILE X 455
GLY X 457
VAL X 681
None
1.21A 3rukD-2y9eX:
undetectable
3rukD-2y9eX:
21.94
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.
2ztu D(-)-3-HYDROXYBUTYRA
TE DEHYDROGENASE


(Pseudomonas
fragi)
PF13561
(adh_short_C2)
5 TYR A 155
ILE A 110
GLY A  92
ALA A  91
VAL A  70
NAD  A 300 (-4.3A)
None
NAD  A 300 (-3.6A)
NAD  A 300 ( 4.0A)
None
1.18A 3rukD-2ztuA:
undetectable
3rukD-2ztuA:
19.84
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.
3ajx 3-HEXULOSE-6-PHOSPHA
TE SYNTHASE


(Mycobacterium
gastri)
PF00215
(OMPdecase)
5 ALA A1199
ILE A1007
GLY A1186
ALA A1185
VAL A1182
None
None
SO4  A6001 (-3.2A)
None
None
1.17A 3rukD-3ajxA:
undetectable
3rukD-3ajxA:
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.
3b9y AMMONIUM TRANSPORTER
FAMILY RH-LIKE
PROTEIN


(Nitrosomonas
europaea)
PF00909
(Ammonium_transp)
5 ALA A 273
GLY A 241
ALA A 242
THR A 246
VAL A 298
None
0.71A 3rukD-3b9yA:
undetectable
3rukD-3b9yA:
22.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3be7 ZN-DEPENDENT
ARGININE
CARBOXYPEPTIDASE


(unidentified)
PF01979
(Amidohydro_1)
5 ALA A 325
PHE A 328
ILE A  55
ALA A  97
VAL A 102
None
1.15A 3rukD-3be7A:
undetectable
3rukD-3be7A:
23.55
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.
3c5c RAS-LIKE PROTEIN 12

(Homo sapiens)
PF00071
(Ras)
5 ALA A  76
ASN A 134
GLY A  32
THR A  37
VAL A  72
None
GDP  A 201 (-3.3A)
GDP  A 201 (-3.2A)
None
None
1.21A 3rukD-3c5cA:
undetectable
3rukD-3c5cA:
17.21
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.
3frk QDTB

(Thermoanaerobacterium
thermosaccharolyticum)
PF01041
(DegT_DnrJ_EryC1)
5 PHE A 285
ASN A 362
ILE A 361
GLY A 263
ALA A 262
None
1.19A 3rukD-3frkA:
undetectable
3rukD-3frkA:
25.88
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.
3h5o TRANSCRIPTIONAL
REGULATOR GNTR


(Chromobacterium
violaceum)
PF13377
(Peripla_BP_3)
5 ALA A 288
ILE A 177
ASP A 256
ALA A 259
VAL A 273
None
1.12A 3rukD-3h5oA:
undetectable
3rukD-3h5oA:
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.
3l2n PEPTIDASE M14,
CARBOXYPEPTIDASE A


(Shewanella
denitrificans)
PF00246
(Peptidase_M14)
5 ALA A 366
PHE A 289
ILE A 161
GLY A 360
VAL A 267
None
1.19A 3rukD-3l2nA:
undetectable
3rukD-3l2nA:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mmt FRUCTOSE-BISPHOSPHAT
E ALDOLASE


(Bartonella
henselae)
PF00274
(Glycolytic)
5 ILE A   8
ARG A   4
GLY A 172
ALA A 171
VAL A  98
None
1.14A 3rukD-3mmtA:
undetectable
3rukD-3mmtA:
20.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nzm DNA POLYMERASE III
SUBUNIT ALPHA


(Synechocystis
sp. PCC 6803)
no annotation 5 ALA A 119
ASN A 148
ILE A 156
THR A  41
VAL A  11
None
1.13A 3rukD-3nzmA:
undetectable
3rukD-3nzmA:
16.53
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.
3oss TYPE 2 SECRETION
SYSTEM, GSPC
TYPE 2 SECRETION
SYSTEM, SECRETIN
GSPD


(Escherichia
coli)
PF03958
(Secretin_N)
PF11356
(T2SSC)
5 ALA C 133
PHE D   9
ILE D  18
GLY D  22
ALA D  23
None
1.20A 3rukD-3ossC:
undetectable
3rukD-3ossC:
10.35
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.
3pm0 CYTOCHROME P450 1B1

(Homo sapiens)
PF00067
(p450)
6 ALA A 133
ASP A 326
GLY A 329
ALA A 330
THR A 334
VAL A 395
HEM  A 900 (-3.3A)
BHF  A 800 (-3.4A)
BHF  A 800 ( 4.0A)
HEM  A 900 ( 3.4A)
HEM  A 900 ( 3.2A)
HEM  A 900 (-4.6A)
0.69A 3rukD-3pm0A:
41.1
3rukD-3pm0A:
29.69
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.
3pm0 CYTOCHROME P450 1B1

(Homo sapiens)
PF00067
(p450)
6 ALA A 133
PHE A 134
ASP A 326
GLY A 329
ALA A 330
THR A 334
HEM  A 900 (-3.3A)
BHF  A 800 (-4.8A)
BHF  A 800 (-3.4A)
BHF  A 800 ( 4.0A)
HEM  A 900 ( 3.4A)
HEM  A 900 ( 3.2A)
0.56A 3rukD-3pm0A:
41.1
3rukD-3pm0A:
29.69
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.
3r9p ACKA

(Mycobacterium
avium)
PF00871
(Acetate_kinase)
5 ASN A 323
GLY A 319
ALA A 318
THR A 371
VAL A 176
None
1.21A 3rukD-3r9pA:
undetectable
3rukD-3r9pA:
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.
3ruy ORNITHINE
AMINOTRANSFERASE


(Bacillus
anthracis)
PF00202
(Aminotran_3)
5 ALA A 374
ASN A 202
ILE A 203
GLY A 197
THR A 366
None
1.19A 3rukD-3ruyA:
undetectable
3rukD-3ruyA:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tbk RIG-I HELICASE
DOMAIN


(Mus musculus)
PF00271
(Helicase_C)
PF04851
(ResIII)
5 ALA A 265
ILE A 428
ALA A 441
THR A 261
VAL A 407
None
1.07A 3rukD-3tbkA:
undetectable
3rukD-3tbkA:
24.79
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.
3thu MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME FAMILY
PROTEIN


(Sphingomonas
sp. SKA58)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
5 ILE A  10
ASP A  34
GLY A  33
ALA A  89
VAL A  52
None
1.18A 3rukD-3thuA:
undetectable
3rukD-3thuA:
20.53
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.
3tpf ORNITHINE
CARBAMOYLTRANSFERASE


(Campylobacter
jejuni)
PF00185
(OTCace)
PF02729
(OTCace_N)
5 ALA A 190
PHE A 189
GLY A 169
ALA A 165
VAL A 128
None
1.19A 3rukD-3tpfA:
undetectable
3rukD-3tpfA:
22.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u4g NAMN:DMB
PHOSPHORIBOSYLTRANSF
ERASE


(Pyrococcus
horikoshii)
no annotation 5 ILE A  80
GLY A 302
ALA A 303
THR A 307
VAL A 320
None
1.08A 3rukD-3u4gA:
undetectable
3rukD-3u4gA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3umm PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE


(Salmonella
enterica)
PF02769
(AIRS_C)
PF13507
(GATase_5)
5 ASN A 722
ILE A 723
GLY A 698
ALA A 715
VAL A 857
ADP  A2005 ( 2.7A)
None
None
None
None
1.10A 3rukD-3ummA:
undetectable
3rukD-3ummA:
16.65
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.
4c1t SUGAR TRANSPORTER
SOLUTE-BINDING
PROTEIN


(Bifidobacterium
animalis)
PF01547
(SBP_bac_1)
5 ASN A 245
ILE A 187
GLY A 190
ALA A 253
VAL A 281
None
1.16A 3rukD-4c1tA:
undetectable
3rukD-4c1tA:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c5n PHOSPHOMETHYLPYRIMID
INE KINASE


(Staphylococcus
aureus)
PF08543
(Phos_pyr_kin)
5 ALA A  40
ILE A  87
GLY A  79
ALA A  10
THR A   8
None
1.19A 3rukD-4c5nA:
undetectable
3rukD-4c5nA:
22.61
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.
4dq8 ACETATE KINASE

(Mycobacterium
marinum)
PF00871
(Acetate_kinase)
5 ALA A 202
GLY A 319
ALA A 318
THR A 371
VAL A 176
None
1.21A 3rukD-4dq8A:
undetectable
3rukD-4dq8A:
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.
4fdg MINICHROMOSOME
MAINTENANCE PROTEIN
MCM


(Sulfolobus
solfataricus)
no annotation 5 ALA B 401
ILE B 126
GLY B 391
ALA B 392
VAL B 426
None
1.09A 3rukD-4fdgB:
undetectable
3rukD-4fdgB:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i1i MALATE DEHYDROGENASE

(Leishmania
major)
PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C)
5 PHE A 218
TYR A 261
ASN A 180
ALA A 205
VAL A 173
EDO  A 405 ( 4.4A)
None
None
None
None
1.20A 3rukD-4i1iA:
undetectable
3rukD-4i1iA:
18.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4i8v CYTOCHROME P450 1A1

(Homo sapiens)
PF00067
(p450)
5 ASP A 313
GLY A 316
ALA A 317
THR A 321
VAL A 382
BHF  A 602 (-3.7A)
BHF  A 602 (-3.5A)
BHF  A 602 ( 3.4A)
HEM  A 601 (-3.4A)
HEM  A 601 (-4.9A)
0.73A 3rukD-4i8vA:
42.1
3rukD-4i8vA:
33.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4i8v CYTOCHROME P450 1A1

(Homo sapiens)
PF00067
(p450)
5 PHE A 123
ASP A 313
GLY A 316
ALA A 317
THR A 321
None
BHF  A 602 (-3.7A)
BHF  A 602 (-3.5A)
BHF  A 602 ( 3.4A)
HEM  A 601 (-3.4A)
0.66A 3rukD-4i8vA:
42.1
3rukD-4i8vA:
33.85
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.
4ip4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING
ENZYME-LIKE PROTEIN


(Ruegeria sp.
TM1040)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
5 ALA A  64
ASN A 116
GLY A 112
ALA A 111
VAL A  72
None
1.19A 3rukD-4ip4A:
undetectable
3rukD-4ip4A:
22.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kcd GLUTAMATE RECEPTOR
IONOTROPIC, NMDA 3A


(Rattus
norvegicus)
PF10613
(Lig_chan-Glu_bd)
5 ILE A 266
GLY A 255
ALA A 120
THR A 122
VAL A  18
None
1.21A 3rukD-4kcdA:
undetectable
3rukD-4kcdA:
19.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE


(Homo sapiens)
PF00067
(p450)
11 ALA A 113
PHE A 114
TYR A 201
ASN A 202
ILE A 205
ARG A 239
ASP A 298
GLY A 301
ALA A 302
THR A 306
VAL A 366
HEM  A 600 ( 2.9A)
3QZ  A 601 ( 4.1A)
None
3QZ  A 601 (-3.5A)
3QZ  A 601 ( 3.4A)
3QZ  A 601 ( 4.4A)
3QZ  A 601 (-3.5A)
3QZ  A 601 ( 3.0A)
3QZ  A 601 (-2.9A)
HEM  A 600 ( 3.2A)
HEM  A 600 ( 3.4A)
0.37A 3rukD-4nkyA:
59.3
3rukD-4nkyA:
99.80
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.
4qan HYPOTHETICAL PROTEIN

([Ruminococcus]
gnavus)
no annotation 5 ILE A 341
GLY A 369
ALA A 386
THR A 371
VAL A 352
None
1.17A 3rukD-4qanA:
undetectable
3rukD-4qanA:
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.
4qi4 CELLOBIOSE
DEHYDROGENASE


(Crassicarpon
hotsonii)
PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C)
5 ALA A 738
ASP A 737
GLY A 238
ALA A 239
THR A 318
FAD  A 901 (-3.4A)
FAD  A 901 (-4.3A)
FAD  A 901 (-3.3A)
FAD  A 901 (-3.1A)
None
1.18A 3rukD-4qi4A:
undetectable
3rukD-4qi4A:
22.59
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.
4qni UNCHARACTERIZED
PROTEIN


(Bacteroides
thetaiotaomicron)
PF14274
(DUF4361)
PF16343
(DUF4973)
5 PHE A 257
ASN A 202
ILE A 200
GLY A 241
ALA A 240
EDO  A 403 (-4.9A)
EDO  A 403 ( 4.9A)
EDO  A 403 ( 4.1A)
EDO  A 403 (-3.6A)
None
1.12A 3rukD-4qniA:
undetectable
3rukD-4qniA:
20.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r1z CYP17A1 PROTEIN

(Danio rerio)
PF00067
(p450)
6 ALA A 126
PHE A 127
ASP A 309
ALA A 313
THR A 317
VAL A 494
HEM  A 600 (-3.6A)
None
AER  A 601 ( 4.1A)
HEM  A 600 (-3.5A)
HEM  A 600 ( 3.3A)
None
1.43A 3rukD-4r1zA:
51.0
3rukD-4r1zA:
46.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r1z CYP17A1 PROTEIN

(Danio rerio)
PF00067
(p450)
10 ALA A 126
PHE A 127
TYR A 214
ILE A 218
ARG A 252
ASP A 309
GLY A 312
ALA A 313
THR A 317
VAL A 377
HEM  A 600 (-3.6A)
None
AER  A 601 (-4.7A)
AER  A 601 ( 4.3A)
None
AER  A 601 ( 4.1A)
AER  A 601 ( 3.7A)
HEM  A 600 (-3.5A)
HEM  A 600 ( 3.3A)
HEM  A 600 (-4.6A)
0.57A 3rukD-4r1zA:
51.0
3rukD-4r1zA:
46.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2


(Danio rerio)
PF00067
(p450)
5 ALA A 120
PHE A 121
ILE A 216
THR A 306
VAL A 366
AER  A 602 (-3.7A)
None
None
HEM  A 601 ( 3.3A)
AER  A 602 ( 4.9A)
1.21A 3rukD-4r20A:
49.4
3rukD-4r20A:
43.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2


(Danio rerio)
PF00067
(p450)
10 ALA A 120
PHE A 121
TYR A 208
ASN A 209
ILE A 212
ARG A 246
GLY A 301
ALA A 302
THR A 306
VAL A 366
AER  A 602 (-3.7A)
None
None
AER  A 602 (-4.5A)
AER  A 602 (-3.2A)
None
AER  A 602 ( 3.8A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.3A)
AER  A 602 ( 4.9A)
0.80A 3rukD-4r20A:
49.4
3rukD-4r20A:
43.90
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.
4wlh KYNURENINE--OXOGLUTA
RATE TRANSAMINASE 1


(Homo sapiens)
PF00155
(Aminotran_1_2)
5 ALA A 287
PHE A  50
GLY A 246
ALA A 245
VAL A  96
None
None
LLP  A 247 ( 2.4A)
None
None
1.20A 3rukD-4wlhA:
undetectable
3rukD-4wlhA:
24.72
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.
4wv4 TRANSCRIPTION
INITIATION FACTOR
TFIID SUBUNIT 10
TRANSCRIPTION
INITIATION FACTOR
TFIID SUBUNIT 8


(Homo sapiens)
PF03540
(TFIID_30kDa)
PF07524
(Bromo_TP)
5 ALA A 146
ILE B  69
GLY B  73
ALA B  76
THR B  96
None
1.00A 3rukD-4wv4A:
undetectable
3rukD-4wv4A:
12.15
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.
4wzz PUTATIVE SUGAR ABC
TRANSPORTER,
SUBSTRATE-BINDING
PROTEIN


(Lachnoclostridium
phytofermentans)
PF13407
(Peripla_BP_4)
5 ALA A 251
ILE A 170
GLY A 268
ALA A 242
VAL A 213
None
1.03A 3rukD-4wzzA:
undetectable
3rukD-4wzzA:
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.
5dgk ACTIVE HELICASE

(Staphylococcus
aureus)
PF06048
(DUF927)
5 ILE A 127
GLY A 257
ALA A 187
THR A 190
VAL A 402
None
1.08A 3rukD-5dgkA:
undetectable
3rukD-5dgkA:
22.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dgq PUTATIVE
ENDOGLUCANASE-RELATE
D PROTEIN


(Photobacterium
profundum)
PF00759
(Glyco_hydro_9)
5 ALA A 318
ASN A 158
ILE A 310
GLY A 249
ALA A 250
None
1.19A 3rukD-5dgqA:
undetectable
3rukD-5dgqA:
21.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gqf LACTO-N-BIOSIDASE

(Bifidobacterium
longum)
no annotation 5 TYR A 431
ASN A 457
GLY A 558
ALA A 557
VAL A 532
None
1.15A 3rukD-5gqfA:
undetectable
3rukD-5gqfA:
23.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gxd AMP-DEPENDENT
SYNTHETASE AND
LIGASE


(Dinoroseobacter
shibae)
PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N)
5 ALA A 524
PHE A 540
ASN A 596
ILE A 597
GLY A 592
None
1.03A 3rukD-5gxdA:
undetectable
3rukD-5gxdA:
19.84
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.
5jjc CYSTEINE SYNTHASE

(Brucella
abortus)
PF00291
(PALP)
5 ALA A 109
TYR A 309
ARG A 308
GLY A  71
VAL A 114
None
1.11A 3rukD-5jjcA:
undetectable
3rukD-5jjcA:
21.29
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.
5nx4 PENTALENENE SYNTHASE

(Streptomyces
clavuligerus)
no annotation 5 PHE A  82
ILE A 116
ALA A  97
THR A 100
VAL A 144
None
1.18A 3rukD-5nx4A:
undetectable
3rukD-5nx4A:
20.08
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.
5ojy TETR FAMILY
TRANSCRIPTION
REGULATOR


(Streptomyces
alboniger)
no annotation 5 TYR A 164
ILE A 163
ASP A 103
GLY A 107
ALA A 106
None
1.07A 3rukD-5ojyA:
undetectable
3rukD-5ojyA:
9.92
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.
5t95 PREPHENATE
DEHYDROGENASE 1


(Glycine max)
PF02153
(PDH)
5 ALA A  37
PHE A  54
GLY A  18
THR A  73
VAL A  81
None
None
NAP  A 301 (-3.4A)
NAP  A 301 (-4.1A)
NAP  A 301 (-4.7A)
1.07A 3rukD-5t95A:
undetectable
3rukD-5t95A:
21.49
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.
5tz8 GLYCOSYL TRANSFERASE

(Staphylococcus
aureus)
PF00535
(Glycos_transf_2)
5 ASN A 335
ILE A 329
ASP A 349
GLY A 347
VAL A 315
None
1.09A 3rukD-5tz8A:
undetectable
3rukD-5tz8A:
22.11
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.
5tzk GLYCOSYL TRANSFERASE

(Staphylococcus
aureus)
PF00535
(Glycos_transf_2)
5 ASN C 335
ILE C 329
ASP C 349
GLY C 347
VAL C 315
None
1.08A 3rukD-5tzkC:
undetectable
3rukD-5tzkC:
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.
5urb METHIONINE--TRNA
LIGASE


(Acinetobacter
baumannii)
PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g)
5 ALA A 164
TYR A 235
ARG A 231
ASP A 135
THR A 173
None
None
NO3  A 608 (-3.8A)
NO3  A 608 (-4.8A)
NO3  A 609 ( 4.4A)
1.07A 3rukD-5urbA:
undetectable
3rukD-5urbA:
21.48
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.
5v8l PGT145 ANTIBODY,
LIGHT CHAIN


(Homo sapiens)
PF07686
(V-set)
5 PHE N  62
ARG N  39
ASP N  82
GLY N  84
THR N 102
None
1.12A 3rukD-5v8lN:
undetectable
3rukD-5v8lN:
19.11
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.
5vj1 MDCA

(Pseudomonas
aeruginosa)
PF16957
(Mal_decarbox_Al)
5 ASN A 148
ILE A 146
ARG A  14
GLY A 184
VAL A 152
None
1.20A 3rukD-5vj1A:
undetectable
3rukD-5vj1A:
23.32
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.
5xbl CRISPR-ASSOCIATED
ENDONUCLEASE
CAS9/CSN1


(Streptococcus
pyogenes)
PF13395
(HNH_4)
PF16592
(Cas9_REC)
PF16593
(Cas9-BH)
PF16595
(Cas9_PI)
5 ILE A 492
ARG A 635
GLY A 485
ALA A 486
THR A 466
None
1.10A 3rukD-5xblA:
undetectable
3rukD-5xblA:
17.06
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.
5y1i CYTOCHROME P450

(Streptomyces
graminofaciens)
PF00067
(p450)
5 PHE A  89
ASN A 181
GLY A 247
ALA A 248
THR A 252
None
None
None
HEM  A 501 (-3.4A)
HEM  A 501 (-3.9A)
1.13A 3rukD-5y1iA:
30.7
3rukD-5y1iA:
24.55
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.
6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1


(Danio rerio)
no annotation 8 ALA A 126
PHE A 127
TYR A 214
ILE A 218
GLY A 312
ALA A 313
THR A 317
VAL A 377
HEM  A 601 (-3.8A)
None
None
AER  A 602 (-3.9A)
AER  A 602 ( 3.7A)
HEM  A 601 (-3.6A)
HEM  A 601 ( 3.7A)
HEM  A 601 ( 4.4A)
0.52A 3rukD-6b82A:
48.7
3rukD-6b82A:
9.72
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.
6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1


(Danio rerio)
no annotation 8 ALA A 126
TYR A 214
ILE A 218
ARG A 252
GLY A 312
ALA A 313
THR A 317
VAL A 377
HEM  A 601 (-3.8A)
None
AER  A 602 (-3.9A)
None
AER  A 602 ( 3.7A)
HEM  A 601 (-3.6A)
HEM  A 601 ( 3.7A)
HEM  A 601 ( 4.4A)
0.64A 3rukD-6b82A:
48.7
3rukD-6b82A:
9.72
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.
6f0k POLYSULPHIDE
REDUCTASE NRFD


(Rhodothermus
marinus)
no annotation 5 TYR C 340
ASN C 344
ILE C 343
GLY C 348
ALA C 351
None
1.05A 3rukD-6f0kC:
undetectable
3rukD-6f0kC:
10.99
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.
6f42 DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC1


(Saccharomyces
cerevisiae)
no annotation 5 ASN A 625
ILE A 624
ARG A 937
ALA A 942
THR A 946
None
1.13A 3rukD-6f42A:
undetectable
3rukD-6f42A:
9.72
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.
6g72 NADH DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR PROTEIN
7, MITOCHONDRIAL
NADH DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR PROTEIN
8, MITOCHONDRIAL


(Mus musculus)
no annotation 5 ALA B  63
TYR I 120
ILE I 119
GLY B 127
VAL B 143
SF4  B 201 (-3.3A)
None
SF4  I 201 (-4.6A)
SF4  B 201 ( 4.2A)
None
1.09A 3rukD-6g72B:
undetectable
3rukD-6g72B:
12.15