SIMILAR PATTERNS OF AMINO ACIDS FOR 3TWP_D_SALD404

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.
1a4e CATALASE A

(Saccharomyces
cerevisiae)
PF00199
(Catalase)
PF06628
(Catalase-rel)
4 ASN A 137
PRO A 375
TYR A 376
ALA A 377
None
1.23A 3twpD-1a4eA:
0.0
3twpD-1a4eA:
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.
1bt4 PHOSPHOSERINE
AMINOTRANSFERASE


(Bacillus
circulans)
PF00266
(Aminotran_5)
4 ASN A   7
ALA A  14
TYR A 339
ALA A  10
None
1.36A 3twpD-1bt4A:
0.8
3twpD-1bt4A:
22.80
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.
1bvy PROTEIN (CYTOCHROME
P450 BM-3)


(Bacillus
megaterium)
PF00258
(Flavodoxin_1)
4 ASN F 543
ALA F 544
PRO F 541
ALA F 493
None
None
None
FMN  F1002 (-3.4A)
1.09A 3twpD-1bvyF:
1.5
3twpD-1bvyF:
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.
1cg2 CARBOXYPEPTIDASE G2

(Pseudomonas sp.
RS-16)
PF01546
(Peptidase_M20)
PF07687
(M20_dimer)
4 ALA A  36
PRO A 398
TYR A 402
ALA A 347
None
1.07A 3twpD-1cg2A:
0.0
3twpD-1cg2A:
23.34
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.
1cg2 CARBOXYPEPTIDASE G2

(Pseudomonas sp.
RS-16)
PF01546
(Peptidase_M20)
PF07687
(M20_dimer)
4 ASN A 292
ALA A 326
PRO A 325
ALA A 367
None
1.10A 3twpD-1cg2A:
0.0
3twpD-1cg2A:
23.34
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.
1crz TOLB PROTEIN

(Escherichia
coli)
PF04052
(TolB_N)
PF07676
(PD40)
4 ASN A 364
ALA A 362
PRO A 363
TYR A 166
None
1.17A 3twpD-1crzA:
2.9
3twpD-1crzA:
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.
1dwa MYROSINASE MA1

(Sinapis alba)
PF00232
(Glyco_hydro_1)
4 ALA M 227
PRO M 192
TYR M 224
ALA M 349
None
1.28A 3twpD-1dwaM:
0.0
3twpD-1dwaM:
20.79
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.
1fbw ENDO-1,4-BETA-GLUCAN
ASE F


([Clostridium]
cellulolyticum)
PF02011
(Glyco_hydro_48)
4 ASN A 227
ALA A 228
PRO A 229
ALA A 233
None
GLC  A3098 ( 4.0A)
None
None
1.24A 3twpD-1fbwA:
1.6
3twpD-1fbwA:
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.
1ggp PROTEIN (LECTIN 1 A
CHAIN)


(Trichosanthes
kirilowii)
PF00161
(RIP)
4 ASN A  72
ALA A  74
TYR A  51
ALA A  50
None
1.26A 3twpD-1ggpA:
undetectable
3twpD-1ggpA:
24.73
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.
1j0n XANTHAN LYASE

(Bacillus sp.
GL1)
PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N)
4 ALA A 386
PRO A 387
TYR A 298
ALA A 407
None
1.10A 3twpD-1j0nA:
1.7
3twpD-1j0nA:
20.50
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.
1js8 HEMOCYANIN

(Enteroctopus
dofleini)
PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s)
4 ALA A2618
PRO A2696
TYR A2694
ALA A2540
None
1.34A 3twpD-1js8A:
undetectable
3twpD-1js8A:
19.63
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.
1k0r NUSA

(Mycobacterium
tuberculosis)
PF08529
(NusA_N)
PF13184
(KH_5)
4 ASN A 309
ALA A 275
PRO A 274
ALA A 271
None
1.34A 3twpD-1k0rA:
undetectable
3twpD-1k0rA:
23.54
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.
1l5x SURVIVAL PROTEIN E

(Pyrobaculum
aerophilum)
PF01975
(SurE)
4 ASN A   7
ALA A  33
PRO A  34
ALA A 111
None
1.27A 3twpD-1l5xA:
2.6
3twpD-1l5xA:
25.63
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.
1lss TRK SYSTEM POTASSIUM
UPTAKE PROTEIN TRKA
HOMOLOG


(Methanocaldococcus
jannaschii)
PF02254
(TrkA_N)
4 ASN A  79
ALA A  96
TYR A  69
ALA A   6
None
1.12A 3twpD-1lssA:
4.0
3twpD-1lssA:
17.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nl3 PREPROTEIN
TRANSLOCASE SECA 1
SUBUNIT


(Mycobacterium
tuberculosis)
PF01043
(SecA_PP_bind)
PF07516
(SecA_SW)
PF07517
(SecA_DEAD)
4 ALA A 115
PRO A 114
TYR A 116
ALA A  70
None
1.23A 3twpD-1nl3A:
1.9
3twpD-1nl3A:
18.02
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.
1pdz ENOLASE

(Homarus
gammarus)
PF00113
(Enolase_C)
PF03952
(Enolase_N)
4 ASN A 160
ALA A 213
PRO A 214
ALA A 222
None
1.42A 3twpD-1pdzA:
undetectable
3twpD-1pdzA:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pw4 GLYCEROL-3-PHOSPHATE
TRANSPORTER


(Escherichia
coli)
PF07690
(MFS_1)
4 ALA A 194
PRO A 193
TYR A 191
ALA A 189
None
1.36A 3twpD-1pw4A:
undetectable
3twpD-1pw4A:
22.57
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.
1szq 2-METHYLCITRATE
DEHYDRATASE


(Escherichia
coli)
PF03972
(MmgE_PrpD)
4 ASN A 405
ALA A 404
TYR A 395
ALA A 327
None
1.32A 3twpD-1szqA:
undetectable
3twpD-1szqA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u08 HYPOTHETICAL
AMINOTRANSFERASE
YBDL


(Escherichia
coli)
PF00155
(Aminotran_1_2)
4 ASN A 270
ALA A 273
PRO A 272
ALA A  64
None
1.06A 3twpD-1u08A:
undetectable
3twpD-1u08A:
23.58
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.
1wmr ISOPULLULANASE

(Aspergillus
niger)
PF03718
(Glyco_hydro_49)
PF17433
(Glyco_hydro_49N)
4 ALA A 319
PRO A 320
TYR A 275
ALA A 252
None
1.21A 3twpD-1wmrA:
undetectable
3twpD-1wmrA:
20.96
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.
1wve 4-CRESOL
DEHYDROGENASE
[HYDROXYLATING]
FLAVOPROTEIN SUBUNIT


(Pseudomonas
putida)
PF01565
(FAD_binding_4)
PF02913
(FAD-oxidase_C)
4 ALA A  99
PRO A 100
TYR A  44
ALA A  61
None
1.42A 3twpD-1wveA:
undetectable
3twpD-1wveA:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y79 PEPTIDYL-DIPEPTIDASE
DCP


(Escherichia
coli)
PF01432
(Peptidase_M3)
4 ASN 1   4
ALA 1  30
PRO 1  29
TYR 1  27
None
0.80A 3twpD-1y791:
undetectable
3twpD-1y791:
20.74
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.
1yr1 CELL-DIVISION
INITIATION PROTEIN


(Geobacillus
stearothermophilus)
no annotation 4 ASN A 202
ALA A 181
TYR A 221
ALA A 223
None
1.38A 3twpD-1yr1A:
undetectable
3twpD-1yr1A:
15.34
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.
1zy8 DIHYDROLIPOYL
DEHYDROGENASE,
MITOCHONDRIAL


(Homo sapiens)
PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2)
4 ASN A 430
ALA A 433
PRO A 355
ALA A 365
None
1.23A 3twpD-1zy8A:
undetectable
3twpD-1zy8A:
24.29
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.
2bi3 PHOSPHOSERINE
AMINOTRANSFERASE


(Bacillus
alcalophilus)
PF00266
(Aminotran_5)
4 ASN A   6
ALA A  13
TYR A 338
ALA A   9
None
1.37A 3twpD-2bi3A:
undetectable
3twpD-2bi3A:
21.81
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.
2bws XAA-PRO
AMINOPEPTIDASE P


(Escherichia
coli)
PF00557
(Peptidase_M24)
PF05195
(AMP_N)
4 ASN A  46
ALA A  30
TYR A 136
ALA A 137
None
1.36A 3twpD-2bwsA:
undetectable
3twpD-2bwsA:
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.
2d3v LEUKOCYTE
IMMUNOGLOBULIN-LIKE
RECEPTOR SUBFAMILY A
MEMBER 5 ISOFORM 1


(Homo sapiens)
PF13895
(Ig_2)
4 ALA A  81
PRO A  80
TYR A  77
ALA A  32
None
1.25A 3twpD-2d3vA:
undetectable
3twpD-2d3vA:
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.
2e6e 5'-NUCLEOTIDASE SURE

(Thermus
thermophilus)
PF01975
(SurE)
4 ASN A   7
ALA A  33
PRO A  34
ALA A 113
None
1.15A 3twpD-2e6eA:
undetectable
3twpD-2e6eA:
21.58
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.
2fa0 HMG-COA SYNTHASE

(Brassica juncea)
PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C)
4 ASN A 115
ALA A 116
TYR A 357
ALA A 363
None
HMG  A 500 (-2.5A)
HMG  A 500 (-4.4A)
None
1.33A 3twpD-2fa0A:
undetectable
3twpD-2fa0A:
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.
2iiz MELANIN BIOSYNTHESIS
PROTEIN TYRA,
PUTATIVE


(Shewanella
oneidensis)
PF04261
(Dyp_perox)
4 ASN A  68
ALA A  67
PRO A  84
ALA A  97
None
0.84A 3twpD-2iizA:
undetectable
3twpD-2iizA:
20.58
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.
2kbf ATP-DEPENDENT RNA
HELICASE DBP5


(Saccharomyces
cerevisiae)
PF00271
(Helicase_C)
4 ASN A 388
ALA A 338
PRO A 408
ALA A 411
None
0.91A 3twpD-2kbfA:
undetectable
3twpD-2kbfA:
18.28
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.
2p8u HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
CYTOPLASMIC


(Homo sapiens)
PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C)
4 ASN A 127
ALA A 128
TYR A 375
ALA A 381
None
SCY  A 129 ( 2.9A)
None
None
1.29A 3twpD-2p8uA:
undetectable
3twpD-2p8uA:
20.45
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.
2rg4 UNCHARACTERIZED
PROTEIN


(Oceanicola
granulosus)
PF13759
(2OG-FeII_Oxy_5)
4 ASN A 192
ALA A 194
PRO A 135
ALA A 140
None
1.36A 3twpD-2rg4A:
undetectable
3twpD-2rg4A:
20.63
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.
2vyi SGTA PROTEIN

(Homo sapiens)
PF00515
(TPR_1)
PF13181
(TPR_8)
4 ALA A 157
PRO A 156
TYR A 158
ALA A 125
None
1.09A 3twpD-2vyiA:
undetectable
3twpD-2vyiA:
18.42
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.
2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL


(Homo sapiens)
PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C)
4 ASN A 164
ALA A 165
TYR A 412
ALA A 418
None
HMG  A1509 (-3.1A)
HMG  A1509 ( 4.8A)
None
1.30A 3twpD-2wyaA:
undetectable
3twpD-2wyaA:
19.38
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.
3anv D-SERINE DEHYDRATASE

(Gallus gallus)
PF01168
(Ala_racemase_N)
PF14031
(D-ser_dehydrat)
4 ASN A 162
ALA A 161
PRO A 213
ALA A 210
None
1.28A 3twpD-3anvA:
undetectable
3twpD-3anvA:
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.
3gxk GOOSE-TYPE LYSOZYME
1


(Gadus morhua)
PF01464
(SLT)
4 ASN A  53
ALA A  56
PRO A  63
ALA A  67
None
1.28A 3twpD-3gxkA:
undetectable
3twpD-3gxkA:
17.02
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.
3jzd IRON-CONTAINING
ALCOHOL
DEHYDROGENASE


(Cupriavidus
pinatubonensis)
PF00465
(Fe-ADH)
4 ASN A 271
PRO A 335
TYR A 332
ALA A 239
None
1.23A 3twpD-3jzdA:
undetectable
3twpD-3jzdA:
26.65
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.
3k5p D-3-PHOSPHOGLYCERATE
DEHYDROGENASE


(Brucella
abortus)
PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C)
4 ASN A 327
ALA A 325
TYR A 316
ALA A  79
None
1.01A 3twpD-3k5pA:
undetectable
3twpD-3k5pA:
23.49
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.
3m6a ATP-DEPENDENT
PROTEASE LA 1


(Bacillus
subtilis)
PF00004
(AAA)
PF05362
(Lon_C)
4 ASN A 738
ALA A 734
PRO A 735
ALA A 677
None
1.33A 3twpD-3m6aA:
undetectable
3twpD-3m6aA:
21.80
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.
3mq2 16S RRNA
METHYLTRANSFERASE


(Streptoalloteichus
tenebrarius)
PF02390
(Methyltransf_4)
4 ASN A  79
ALA A  43
TYR A  40
ALA A  68
None
1.22A 3twpD-3mq2A:
3.8
3twpD-3mq2A:
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.
3ouo NUCLEOPROTEIN

(Rift Valley
fever
phlebovirus)
PF05733
(Tenui_N)
4 ALA A 139
PRO A 138
TYR A 140
ALA A 237
None
1.29A 3twpD-3ouoA:
undetectable
3twpD-3ouoA:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3phf ENVELOPE
GLYCOPROTEIN H


(Human
gammaherpesvirus
4)
no annotation 4 ALA A 531
PRO A 530
TYR A 532
ALA A 526
None
1.40A 3twpD-3phfA:
undetectable
3twpD-3phfA:
22.32
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.
3phf ENVELOPE
GLYCOPROTEIN H


(Human
gammaherpesvirus
4)
no annotation 4 ASN A 585
ALA A 531
PRO A 530
ALA A 444
None
1.03A 3twpD-3phfA:
undetectable
3twpD-3phfA:
22.32
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.
3rmg OCTAPRENYL-DIPHOSPHA
TE SYNTHASE


(Bacteroides
thetaiotaomicron)
PF00348
(polyprenyl_synt)
4 ALA A 285
PRO A 239
TYR A 242
ALA A 243
None
1.25A 3twpD-3rmgA:
undetectable
3twpD-3rmgA:
24.10
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.
3t4w MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN


(Sulfitobacter
sp. NAS-14.1)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
4 ASN A 223
ALA A 226
PRO A 253
TYR A 233
None
1.29A 3twpD-3t4wA:
undetectable
3twpD-3t4wA:
24.10
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.
3t63 PROTOCATECHUATE
3,4-DIOXYGENASE BETA
CHAIN


(Pseudomonas
putida)
PF00775
(Dioxygenase_C)
PF12391
(PCDO_beta_N)
4 ASN M 403
ALA M 402
TYR M 415
ALA M 417
None
1.32A 3twpD-3t63M:
undetectable
3twpD-3t63M:
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.
3ttf TRANSCRIPTIONAL
REGULATORY PROTEIN


(Escherichia
coli)
PF01300
(Sua5_yciO_yrdC)
PF07503
(zf-HYPF)
4 ASN A 549
ALA A 542
PRO A 537
ALA A 591
None
1.37A 3twpD-3ttfA:
undetectable
3twpD-3ttfA:
22.29
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.
3ty2 5'-NUCLEOTIDASE SURE

(Coxiella
burnetii)
PF01975
(SurE)
4 ASN A  18
ALA A  44
PRO A  45
ALA A 119
None
1.18A 3twpD-3ty2A:
2.9
3twpD-3ty2A:
24.35
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.
3zhb R-IMINE REDUCTASE

(Streptomyces
kanamyceticus)
PF03446
(NAD_binding_2)
4 ALA A 158
PRO A 155
TYR A 131
ALA A 121
None
1.37A 3twpD-3zhbA:
undetectable
3twpD-3zhbA:
27.51
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.
4a05 CELLOBIOHYDROLASE
FAMILY 6


(Chaetomium
thermophilum)
PF01341
(Glyco_hydro_6)
4 ASN A 185
ALA A 189
PRO A 192
ALA A 194
None
1.09A 3twpD-4a05A:
undetectable
3twpD-4a05A:
24.76
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.
4ayg GLUCANSUCRASE

(Lactobacillus
reuteri)
PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70)
4 ALA A1071
PRO A1070
TYR A1072
ALA A 967
GOL  A2771 (-3.2A)
GOL  A2771 (-3.7A)
None
GOL  A2792 ( 4.1A)
1.41A 3twpD-4aygA:
undetectable
3twpD-4aygA:
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.
4e6w CLBP PEPTIDASE

(Escherichia
coli)
PF00144
(Beta-lactamase)
4 ALA A 260
PRO A 259
TYR A 262
ALA A 254
None
1.25A 3twpD-4e6wA:
undetectable
3twpD-4e6wA:
23.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fus RTX TOXINS AND
RELATED CA2+-BINDING
PROTEIN


(Hahella
chejuensis)
PF02011
(Glyco_hydro_48)
4 ASN A 252
ALA A 253
PRO A 254
ALA A 258
None
GOL  A 805 (-3.7A)
None
None
1.29A 3twpD-4fusA:
undetectable
3twpD-4fusA:
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.
4hjh PHOSPHOMANNOMUTASE

(Brucella
melitensis)
PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III)
4 ALA A  25
PRO A  24
TYR A  26
ALA A 143
None
None
None
IOD  A 517 ( 3.8A)
1.41A 3twpD-4hjhA:
undetectable
3twpD-4hjhA:
26.65
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.
4ir8 SEDOHEPTULOSE-1,7
BISPHOSPHATASE,
PUTATIVE


(Toxoplasma
gondii)
PF00316
(FBPase)
4 ALA A 221
PRO A 220
TYR A 222
ALA A 215
None
1.42A 3twpD-4ir8A:
undetectable
3twpD-4ir8A:
21.46
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.
4jjj CELLULOSE
1,4-BETA-CELLOBIOSID
ASE


(Thermobifida
fusca)
PF02011
(Glyco_hydro_48)
4 ASN A 221
ALA A 222
PRO A 223
ALA A 227
None
CE6  A 703 ( 4.1A)
None
None
1.30A 3twpD-4jjjA:
undetectable
3twpD-4jjjA:
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.
4juu EPIMERASE

(Xanthomonas
campestris)
PF05544
(Pro_racemase)
4 ALA A 283
PRO A 284
TYR A 275
ALA A 250
None
1.36A 3twpD-4juuA:
undetectable
3twpD-4juuA:
23.83
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.
4lvo SUBTILISIN-LIKE
SERINE PROTEASE


(Plasmodium
falciparum)
PF00082
(Peptidase_S8)
4 ASN A 488
ALA A 609
PRO A 610
ALA A 614
None
1.28A 3twpD-4lvoA:
3.0
3twpD-4lvoA:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mjt MONALYSIN

(Pseudomonas
entomophila)
no annotation 4 ASN A 193
ALA A 196
TYR A 213
ALA A 186
None
1.35A 3twpD-4mjtA:
undetectable
3twpD-4mjtA:
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.
4mkq MONALYSIN

(Pseudomonas
entomophila)
no annotation 4 ASN A 193
ALA A 196
TYR A 213
ALA A 186
None
1.34A 3twpD-4mkqA:
undetectable
3twpD-4mkqA:
17.60
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.
4pv4 PROLINE
AMINOPEPTIDASE P II


(Yersinia pestis)
PF00557
(Peptidase_M24)
PF05195
(AMP_N)
4 ASN A  44
ALA A  28
TYR A 134
ALA A 135
None
1.34A 3twpD-4pv4A:
undetectable
3twpD-4pv4A:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qb7 UNCHARACTERIZED
PROTEIN


(Bacteroides
vulgatus)
PF13149
(Mfa_like_1)
4 ASN A 295
PRO A 292
TYR A 223
ALA A 226
None
None
SO4  A 416 (-4.7A)
None
0.93A 3twpD-4qb7A:
undetectable
3twpD-4qb7A:
18.05
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.
4rae HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE


(Mycobacterium
tuberculosis)
PF00155
(Aminotran_1_2)
4 ASN A 175
ALA A 172
TYR A 204
ALA A 311
None
1.15A 3twpD-4raeA:
undetectable
3twpD-4raeA:
26.95
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.
4rqo L-SERINE DEHYDRATASE

(Legionella
pneumophila)
PF03313
(SDH_alpha)
PF03315
(SDH_beta)
4 ASN A  28
ALA A  75
PRO A  76
ALA A  66
None
1.23A 3twpD-4rqoA:
undetectable
3twpD-4rqoA:
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.
4rx1 PUTATIVE RRNA
METHYLTRANSFERASE


(Sorangium
cellulosum)
no annotation 4 ASN A  79
ALA A  43
TYR A  40
ALA A  68
None
1.32A 3twpD-4rx1A:
3.4
3twpD-4rx1A:
23.81
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.
4wxx DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1


(Homo sapiens)
PF00145
(DNA_methylase)
PF01426
(BAH)
PF02008
(zf-CXXC)
PF12047
(DNMT1-RFD)
4 ASN A 383
ALA A 439
TYR A 486
ALA A 484
None
1.36A 3twpD-4wxxA:
undetectable
3twpD-4wxxA:
15.67
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.
4xk1 PHOSPHOSERINE
AMINOTRANSFERASE


(Pseudomonas
aeruginosa)
PF00266
(Aminotran_5)
4 ASN A   7
ALA A  14
TYR A 338
ALA A  10
None
None
LLP  A 197 ( 4.0A)
None
1.36A 3twpD-4xk1A:
undetectable
3twpD-4xk1A:
23.74
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.
4xwl EXOGLUCANASE S

(Clostridium
cellulovorans)
PF02011
(Glyco_hydro_48)
4 ASN A 219
ALA A 220
PRO A 221
ALA A 225
None
PGE  A 712 (-3.5A)
None
None
1.28A 3twpD-4xwlA:
3.1
3twpD-4xwlA:
19.16
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.
4ywe PUTATIVE ALDEHYDE
DEHYDROGENASE


(Burkholderia
cenocepacia)
PF00171
(Aldedh)
4 ASN A 168
ALA A 166
PRO A 139
ALA A 470
None
1.40A 3twpD-4yweA:
3.2
3twpD-4yweA:
24.75
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.
4zhs ASPARTATE
SEMIALDEHYDE
DEHYDROGENASE


(Trichophyton
rubrum)
no annotation 4 ASN D 112
ALA D 110
PRO D  89
ALA D  91
None
1.27A 3twpD-4zhsD:
3.2
3twpD-4zhsD:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5axh DEXTRANASE

(Thermoanaerobacter
pseudethanolicus)
PF13199
(Glyco_hydro_66)
4 ASN A 157
ALA A 156
PRO A 454
ALA A 456
None
1.18A 3twpD-5axhA:
undetectable
3twpD-5axhA:
21.15
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.
5bw4 16S RRNA
(ADENINE(1408)-N(1))
-METHYLTRANSFERASE


(Catenulispora
acidiphila)
no annotation 4 ASN A  85
ALA A  49
TYR A  46
ALA A  74
None
1.26A 3twpD-5bw4A:
3.3
3twpD-5bw4A:
25.61
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.
5c3l NUCLEOPORIN NUP58

(Xenopus laevis)
PF15967
(Nucleoporin_FG2)
4 ASN B 373
ALA B 375
PRO B 376
ALA B 359
None
0.98A 3twpD-5c3lB:
undetectable
3twpD-5c3lB:
15.69
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.
5d2e MLNE

(Bacillus
velezensis)
PF08659
(KR)
4 ASN A 189
ALA A 190
TYR A 175
ALA A 209
None
1.32A 3twpD-5d2eA:
undetectable
3twpD-5d2eA:
22.56
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.
5e9a BETA-GALACTOSIDASE

(Rahnella sp. R3)
PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C)
4 ASN A 597
ALA A 551
TYR A 569
ALA A 579
None
0.96A 3twpD-5e9aA:
undetectable
3twpD-5e9aA:
20.94
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.
5eqw PUTATIVE MAJOR COAT
PROTEIN


(Acidianus
tailed spindle
virus)
no annotation 4 ASN A  88
ALA A  89
PRO A  86
TYR A  79
None
1.30A 3twpD-5eqwA:
undetectable
3twpD-5eqwA:
17.57
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.
5f8v AMINOTRANSFERASE,
CLASS V FAMILY
PROTEIN


(Trichomonas
vaginalis)
PF00266
(Aminotran_5)
4 ASN A   8
ALA A  15
TYR A 350
ALA A  11
None
None
LLP  A 202 ( 4.0A)
None
1.38A 3twpD-5f8vA:
undetectable
3twpD-5f8vA:
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.
5gj8 ACYL-COA
DEHYDROGENASE TYPE 2
DOMAIN PROTEIN


(Alicyclobacillus
acidocaldarius)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
PF08028
(Acyl-CoA_dh_2)
4 ASN A 338
ALA A 337
TYR A 253
ALA A 368
None
1.39A 3twpD-5gj8A:
undetectable
3twpD-5gj8A:
25.70
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.
5gt2 PROBABLE
DEFERROCHELATASE/PER
OXIDASE YFEX


(Escherichia
coli)
PF04261
(Dyp_perox)
4 ALA A 292
PRO A 293
TYR A 171
ALA A  74
None
1.39A 3twpD-5gt2A:
undetectable
3twpD-5gt2A:
23.24
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.
5i08 SPIKE GLYCOPROTEIN,
ENVELOPE
GLYCOPROTEIN CHIMERA


(Human
coronavirus
HKU1;
Human
immunodeficiency
virus 1)
PF01601
(Corona_S2)
PF09408
(Spike_rec_bind)
PF16451
(Spike_NTD)
4 ASN A 722
ALA A 689
PRO A 688
TYR A 746
None
1.34A 3twpD-5i08A:
undetectable
3twpD-5i08A:
14.06
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.
5jjo UNCHARACTERIZED
PROTEIN


(Pseudomonas
aeruginosa)
PF08238
(Sel1)
4 ASN A 128
ALA A 123
TYR A 120
ALA A 154
None
1.01A 3twpD-5jjoA:
undetectable
3twpD-5jjoA:
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.
5kss 5'-NUCLEOTIDASE SURE

(Xylella
fastidiosa)
PF01975
(SurE)
4 ASN A   7
ALA A  34
PRO A  35
ALA A 109
None
1.12A 3twpD-5kssA:
3.5
3twpD-5kssA:
23.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l44 K-26 DIPEPTIDYL
CARBOXYPEPTIDASE


(Astrosporangium
hypotensionis)
PF01432
(Peptidase_M3)
4 ASN A  11
ALA A  37
PRO A  36
TYR A  34
None
0.94A 3twpD-5l44A:
undetectable
3twpD-5l44A:
22.92
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.
5lc2 PROTEIN FAM3C

(Homo sapiens)
PF15711
(ILEI)
4 ASN A 181
PRO A 213
TYR A 209
ALA A  78
None
1.24A 3twpD-5lc2A:
undetectable
3twpD-5lc2A:
18.13
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.
5lva NAD(P)H-FMN
OXIDOREDUCTASE


(Bacillus
subtilis)
PF02525
(Flavodoxin_2)
4 ASN A 120
ALA A 113
TYR A 149
ALA A 107
None
None
None
FMN  A 201 (-3.3A)
1.04A 3twpD-5lvaA:
undetectable
3twpD-5lvaA:
20.06
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.
5mqo NON-REDUCING END
BETA-L-ARABINOFURANO
SIDASE


(Bacteroides
thetaiotaomicron)
PF07944
(Glyco_hydro_127)
4 ASN A 385
ALA A 340
TYR A 367
ALA A 297
None
1.23A 3twpD-5mqoA:
2.9
3twpD-5mqoA:
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.
5mso CARBOXYLIC ACID
REDUCTASE


(Mycobacterium
marinum)
PF07993
(NAD_binding_4)
4 ALA A1050
PRO A 977
TYR A 916
ALA A 908
None
1.41A 3twpD-5msoA:
2.8
3twpD-5msoA:
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.
5ntf AMINOPEPTIDASE

(Trypanosoma
cruzi)
PF00883
(Peptidase_M17)
4 ASN A 217
PRO A 215
TYR A 176
ALA A 167
None
1.04A 3twpD-5ntfA:
undetectable
3twpD-5ntfA:
23.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5suo EXTRACELLULAR
SOLUTE-BINDING
PROTEIN


(Streptococcus
pneumoniae)
PF12010
(DUF3502)
4 ASN A 141
ALA A 149
PRO A 151
ALA A 321
None
1.12A 3twpD-5suoA:
undetectable
3twpD-5suoA:
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.
5u2g PENICILLIN-BINDING
PROTEIN 1A


(Haemophilus
influenzae)
PF00905
(Transpeptidase)
PF00912
(Transgly)
PF17092
(PCB_OB)
4 ASN A 307
ALA A 775
PRO A 774
ALA A 738
None
0.96A 3twpD-5u2gA:
undetectable
3twpD-5u2gA:
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.
5ur0 GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE


(Naegleria
gruberi)
no annotation 4 ASN A 145
ALA A 123
PRO A 122
ALA A 213
None
1.33A 3twpD-5ur0A:
undetectable
3twpD-5ur0A:
10.64
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.
5wro ENOLASE

(Drosophila
melanogaster)
PF00113
(Enolase_C)
PF03952
(Enolase_N)
4 ASN A 228
ALA A 281
PRO A 282
ALA A 290
None
1.42A 3twpD-5wroA:
undetectable
3twpD-5wroA:
24.26
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.
5y9d ACYL-COENZYME A
OXIDASE 1


(Yarrowia
lipolytica)
no annotation 4 ASN A 428
ALA A 636
PRO A 637
TYR A  60
None
1.42A 3twpD-5y9dA:
undetectable
3twpD-5y9dA:
11.36
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.
5yg7 RIBOSE
1,5-BISPHOSPHATE
ISOMERASE


(Pyrococcus
horikoshii)
no annotation 4 ASN A 209
ALA A 211
PRO A 286
ALA A 304
G  A 404 (-3.5A)
G  A 404 (-3.3A)
None
None
1.41A 3twpD-5yg7A:
undetectable
3twpD-5yg7A:
10.57
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.
5zvt CORE PROTEIN VP6

(Aquareovirus C)
no annotation 4 ASN U 329
PRO U 332
TYR U 359
ALA U 363
None
1.09A 3twpD-5zvtU:
undetectable
3twpD-5zvtU:
15.30
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.
6e0s -

(-)
no annotation 4 ASN A 196
ALA A 271
TYR A 267
ALA A 240
None
1.16A 3twpD-6e0sA:
undetectable
3twpD-6e0sA:
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.
6eoj POLYADENYLATION
FACTOR SUBUNIT
2,POLYADENYLATION
FACTOR SUBUNIT 2
PROTEIN CFT1


(Saccharomyces
cerevisiae)
no annotation 5 ASN D  69
ALA D  70
PRO D  67
TYR D  43
ALA A1143
None
1.37A 3twpD-6eojD:
undetectable
3twpD-6eojD:
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.
6ey5 T9SS COMPONENT
CYTOPLASMIC MEMBRANE
PROTEIN PORM


(Porphyromonas
gingivalis)
no annotation 4 ASN A 334
ALA A 366
PRO A 368
ALA A 375
None
1.41A 3twpD-6ey5A:
undetectable
3twpD-6ey5A:
12.40
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.
6fks -

(-)
no annotation 4 ALA A 290
PRO A 291
TYR A 170
ALA A  73
None
1.41A 3twpD-6fksA:
undetectable
3twpD-6fksA:
undetectable