SIMILAR PATTERNS OF AMINO ACIDS FOR 4PD9_A_ADNA501_2

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.
1e1h BOTULINUM NEUROTOXIN
TYPE A LIGHT CHAIN

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		3 THR A 100
ASN B 390
PHE B 389
 None
 0.50A 4pd9A-1e1hA:
0.0		 4pd9A-1e1hA:
20.60
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.
1e4o MALTODEXTRIN
PHOSPHORYLASE

(Escherichia
coli) 		PF00343
(Phosphorylase) 		3 THR A 308
ASN A 375
PHE A 378
 None
 0.78A 4pd9A-1e4oA:
0.8		 4pd9A-1e4oA:
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.
1ek6 UDP-GALACTOSE
4-EPIMERASE

(Homo sapiens) 		PF16363
(GDP_Man_Dehyd) 		3 THR A 232
ASN A 187
PHE A 186
 None
UPG  A 401 (-3.3A)
None
 0.84A 4pd9A-1ek6A:
0.0		 4pd9A-1ek6A:
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.
1fcp PROTEIN (FERRIC
HYDROXAMATE UPTAKE
RECEPTOR)

(Escherichia
coli) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		3 THR A 477
ASN A 385
PHE A 115
 None
None
FCI  A 750 ( 4.1A)
 0.80A 4pd9A-1fcpA:
undetectable		 4pd9A-1fcpA:
21.61
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.
1fj7 NUCLEOLIN RBD1

(Mesocricetus
auratus) 		PF00076
(RRM_1) 		3 THR A  56
ASN A  85
PHE A  83
 None
 0.80A 4pd9A-1fj7A:
undetectable		 4pd9A-1fj7A:
13.57
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.
1g7c ELONGATION FACTOR
1-ALPHA

(Saccharomyces
cerevisiae) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		3 THR A 185
ASN A 174
PHE A 175
 None
 0.80A 4pd9A-1g7cA:
0.0		 4pd9A-1g7cA:
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.
1gud D-ALLOSE-BINDING
PERIPLASMIC PROTEIN

(Escherichia
coli) 		PF13407
(Peripla_BP_4) 		3 THR A 203
ASN A  13
PHE A  15
 None
 0.75A 4pd9A-1gudA:
0.0		 4pd9A-1gudA:
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.
1h79 ANAEROBIC
RIBONUCLEOTIDE-TRIPH
OSPHATE REDUCTASE
LARGE CHAIN

(Escherichia
virus T4) 		PF13597
(NRDD) 		3 THR A 184
ASN A 217
PHE A 175
 None
 0.84A 4pd9A-1h79A:
0.2		 4pd9A-1h79A:
21.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hsl HISTIDINE-BINDING
PROTEIN

(Escherichia
coli) 		PF00497
(SBP_bac_3) 		3 THR A  43
ASN A 211
PHE A 214
 None
 0.79A 4pd9A-1hslA:
0.0		 4pd9A-1hslA:
21.27
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.
1i8t UDP-GALACTOPYRANOSE
MUTASE

(Escherichia
coli) 		PF03275
(GLF)
PF13450
(NAD_binding_8) 		3 THR A 290
ASN A  76
PHE A  78
 None
 0.77A 4pd9A-1i8tA:
undetectable		 4pd9A-1i8tA:
20.46
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.
1ksi COPPER AMINE OXIDASE

(Pisum sativum) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		3 THR A 464
ASN A 459
PHE A 452
 None
 0.81A 4pd9A-1ksiA:
undetectable		 4pd9A-1ksiA:
22.46
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.
1ksi COPPER AMINE OXIDASE

(Pisum sativum) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		3 THR A 486
ASN A 459
PHE A 452
 None
 0.60A 4pd9A-1ksiA:
undetectable		 4pd9A-1ksiA:
22.46
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.
1m7s CATALASE

(Pseudomonas
syringae) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		3 THR A 264
ASN A 324
PHE A 326
 None
 0.84A 4pd9A-1m7sA:
undetectable		 4pd9A-1m7sA:
23.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mjt NITRIC-OXIDE
SYNTHASE HOMOLOG

(Staphylococcus
aureus) 		PF02898
(NO_synthase) 		3 THR A 107
ASN A 119
PHE A 118
 None
 0.82A 4pd9A-1mjtA:
undetectable		 4pd9A-1mjtA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nrf REGULATORY PROTEIN
BLAR1

(Bacillus
licheniformis) 		PF00905
(Transpeptidase) 		3 THR A 564
ASN A 510
PHE A 512
 None
 0.83A 4pd9A-1nrfA:
undetectable		 4pd9A-1nrfA:
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.
1op2 VENOM SERINE
PROTEINASE

(Deinagkistrodon
acutus) 		PF00089
(Trypsin) 		3 THR A  45
ASN A 230
PHE A 232
 None
 0.62A 4pd9A-1op2A:
undetectable		 4pd9A-1op2A:
19.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qdb CYTOCHROME C NITRITE
REDUCTASE

(Sulfurospirillum
deleyianum) 		PF02335
(Cytochrom_C552) 		3 THR A 131
ASN A 186
PHE A 197
 HEM  A 515 ( 4.9A)
None
None
 0.82A 4pd9A-1qdbA:
undetectable		 4pd9A-1qdbA:
20.36
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.
1rlj NRDI PROTEIN

(Bacillus
subtilis) 		PF07972
(Flavodoxin_NdrI) 		3 THR A  42
ASN A  79
PHE A  47
 None
FMN  A 151 (-4.9A)
None
 0.84A 4pd9A-1rljA:
undetectable		 4pd9A-1rljA:
17.87
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.
1sgm PUTATIVE HTH-TYPE
TRANSCRIPTIONAL
REGULATOR YXAF

(Bacillus
subtilis) 		PF00440
(TetR_N) 		3 THR A  60
ASN A  49
PHE A  47
 None
 0.74A 4pd9A-1sgmA:
0.8		 4pd9A-1sgmA:
20.30
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.
1tqx D-RIBULOSE-5-PHOSPHA
TE 3-EPIMERASE,
PUTATIVE

(Plasmodium
falciparum) 		PF00834
(Ribul_P_3_epim) 		3 THR A 186
ASN A 206
PHE A 205
 None
 0.48A 4pd9A-1tqxA:
undetectable		 4pd9A-1tqxA:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ven BETA-AMYLASE

(Bacillus cereus) 		PF00686
(CBM_20)
PF01373
(Glyco_hydro_14) 		3 THR A 335
ASN A 387
PHE A 386
 None
 0.72A 4pd9A-1venA:
undetectable		 4pd9A-1venA:
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.
1vl4 PMBA-RELATED PROTEIN

(Thermotoga
maritima) 		PF01523
(PmbA_TldD) 		3 THR A 395
ASN A 399
PHE A 400
 None
 0.72A 4pd9A-1vl4A:
undetectable		 4pd9A-1vl4A:
22.65
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.
1vmd METHYLGLYOXAL
SYNTHASE

(Thermotoga
maritima) 		PF02142
(MGS) 		3 THR A  52
ASN A  37
PHE A  36
 SO4  A 167 (-4.1A)
None
None
 0.65A 4pd9A-1vmdA:
undetectable		 4pd9A-1vmdA:
17.46
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.
1vqu ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE 2

(Nostoc sp. PCC
7120) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N) 		3 THR A 225
ASN A 199
PHE A 198
 None
 0.63A 4pd9A-1vquA:
undetectable		 4pd9A-1vquA:
23.33
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.
1yac YCAC GENE PRODUCT

(Escherichia
coli) 		PF00857
(Isochorismatase) 		3 THR A 137
ASN A 144
PHE A 143
 None
 0.74A 4pd9A-1yacA:
undetectable		 4pd9A-1yacA:
18.04
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.
1z3q THAUMATIN-LIKE
PROTEIN

(Musa acuminata) 		PF00314
(Thaumatin) 		3 THR A 192
ASN A  90
PHE A  89
 None
 0.83A 4pd9A-1z3qA:
undetectable		 4pd9A-1z3qA:
19.36
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.
1zmr PHOSPHOGLYCERATE
KINASE

(Escherichia
coli) 		PF00162
(PGK) 		3 THR A 143
ASN A 115
PHE A 114
 None
 0.46A 4pd9A-1zmrA:
undetectable		 4pd9A-1zmrA:
25.65
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.
1zsw GLYOXALASE FAMILY
PROTEIN

(Bacillus cereus) 		PF00903
(Glyoxalase) 		3 THR A  71
ASN A  20
PHE A  23
 None
 0.72A 4pd9A-1zswA:
undetectable		 4pd9A-1zswA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2aaf ARGININE DEIMINASE

(Pseudomonas
aeruginosa) 		PF02274
(Amidinotransf) 		3 THR A 408
ASN A 359
PHE A 283
 None
 0.64A 4pd9A-2aafA:
undetectable		 4pd9A-2aafA:
23.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b18 GTP-SENSING
TRANSCRIPTIONAL
PLEIOTROPIC
REPRESSOR CODY

(Bacillus
subtilis) 		PF06018
(CodY) 		3 THR A 111
ASN A  81
PHE A  80
 None
 0.59A 4pd9A-2b18A:
undetectable		 4pd9A-2b18A:
17.32
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.
2bco SUCCINYLGLUTAMATE
DESUCCINYLASE

(Vibrio
parahaemolyticus) 		PF04952
(AstE_AspA) 		3 THR A 101
ASN A 113
PHE A 203
 None
 0.68A 4pd9A-2bcoA:
undetectable		 4pd9A-2bcoA:
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.
2dwr OUTER CAPSID PROTEIN

(Rotavirus A) 		PF00426
(VP4_haemagglut) 		3 THR A  73
ASN A  97
PHE A 101
 None
 0.84A 4pd9A-2dwrA:
undetectable		 4pd9A-2dwrA:
15.09
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.
2e0p ENDOGLUCANASE

(Ruminiclostridium
thermocellum) 		PF12891
(Glyco_hydro_44) 		3 THR A  91
ASN A  52
PHE A  57
 None
 0.81A 4pd9A-2e0pA:
undetectable		 4pd9A-2e0pA:
20.73
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.
2g9d SUCCINYLGLUTAMATE
DESUCCINYLASE

(Vibrio cholerae) 		PF04952
(AstE_AspA) 		3 THR A 101
ASN A 113
PHE A 203
 None
 0.72A 4pd9A-2g9dA:
undetectable		 4pd9A-2g9dA:
20.42
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.
2h6e D-ARABINOSE
1-DEHYDROGENASE

(Sulfolobus
solfataricus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		3 THR A 117
ASN A 106
PHE A 105
 None
 0.84A 4pd9A-2h6eA:
undetectable		 4pd9A-2h6eA:
22.71
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.
2jzd REPLICASE
POLYPROTEIN 1AB

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF11633
(SUD-M) 		3 THR A 528
ASN A 616
PHE A 615
 None
 0.83A 4pd9A-2jzdA:
undetectable		 4pd9A-2jzdA:
14.62
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.
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N) 		3 THR A 101
ASN A 391
PHE A 390
 None
 0.52A 4pd9A-2nz9A:
undetectable		 4pd9A-2nz9A:
15.74
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.
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N) 		3 THR A 385
ASN A 402
PHE A 401
 None
 0.83A 4pd9A-2nz9A:
undetectable		 4pd9A-2nz9A:
15.74
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.
2o7t TRANSCRIPTIONAL
REGULATOR

(Corynebacterium
glutamicum) 		PF00440
(TetR_N) 		3 THR A  16
ASN A  64
PHE A  63
 None
None
UNL  A 199 ( 3.7A)
 0.80A 4pd9A-2o7tA:
undetectable		 4pd9A-2o7tA:
19.48
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.
2ptz ENOLASE

(Trypanosoma
brucei) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		3 THR A 277
ASN A 258
PHE A 261
 None
 0.74A 4pd9A-2ptzA:
undetectable		 4pd9A-2ptzA:
23.90
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.
2rjb UNCHARACTERIZED
PROTEIN

(Shigella
flexneri) 		PF07063
(DUF1338) 		3 THR A 384
ASN A 122
PHE A 124
 None
 0.77A 4pd9A-2rjbA:
undetectable		 4pd9A-2rjbA:
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.
2w92 ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE D

(Streptococcus
pneumoniae) 		PF03644
(Glyco_hydro_85) 		3 THR A 377
ASN A 413
PHE A 412
 None
None
NGT  A1809 (-4.4A)
 0.71A 4pd9A-2w92A:
undetectable		 4pd9A-2w92A:
21.43
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.
2xts SULFITE
DEHYDROGENASE

(Paracoccus
pantotrophus) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer) 		3 THR A 309
ASN A 185
PHE A 157
 GOL  A1433 (-3.7A)
None
None
 0.83A 4pd9A-2xtsA:
undetectable		 4pd9A-2xtsA:
23.03
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.
2ybx PHOSPHATIDYLINOSITOL
-5-PHOSPHATE
4-KINASE TYPE-2
ALPHA

(Homo sapiens) 		PF01504
(PIP5K) 		3 THR A 173
ASN A 198
PHE A 200
 None
 0.81A 4pd9A-2ybxA:
undetectable		 4pd9A-2ybxA:
20.09
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.
3a3i PENICILLIN-BINDING
PROTEIN 4

(Haemophilus
influenzae) 		PF02113
(Peptidase_S13) 		3 THR A 256
ASN A 312
PHE A 167
 None
AIX  A 501 (-3.3A)
AIX  A 501 (-3.6A)
 0.84A 4pd9A-3a3iA:
undetectable		 4pd9A-3a3iA:
23.76
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.
3ada SARCOSINE OXIDASE
BETA SUBUNIT

(Corynebacterium
sp. U-96) 		PF01266
(DAO) 		3 THR B 162
ASN B 129
PHE B 128
 None
 0.62A 4pd9A-3adaB:
undetectable		 4pd9A-3adaB:
20.62
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.
3bg0 NUCLEOPORIN NUP145

(Saccharomyces
cerevisiae) 		PF12110
(Nup96) 		3 THR B 431
ASN B 460
PHE B 459
 None
 0.77A 4pd9A-3bg0B:
undetectable		 4pd9A-3bg0B:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cp2 TRNA URIDINE
5-CARBOXYMETHYLAMINO
METHYL MODIFICATION
ENZYME GIDA

(Escherichia
coli) 		PF01134
(GIDA)
PF13932
(GIDA_assoc) 		3 THR A 199
ASN A 372
PHE A 348
 None
 0.80A 4pd9A-3cp2A:
undetectable		 4pd9A-3cp2A:
21.95
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.
3cp8 TRNA URIDINE
5-CARBOXYMETHYLAMINO
METHYL MODIFICATION
ENZYME GIDA

(Chlorobaculum
tepidum) 		PF01134
(GIDA)
PF13932
(GIDA_assoc) 		3 THR A 195
ASN A 368
PHE A 344
 FAD  A 622 (-3.0A)
None
None
 0.72A 4pd9A-3cp8A:
undetectable		 4pd9A-3cp8A:
23.08
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.
3dcf TRANSCRIPTIONAL
REGULATOR OF THE
TETR/ACRR FAMILY

(Thermobifida
fusca) 		PF00440
(TetR_N) 		3 THR A  40
ASN A 125
PHE A 128
 None
 0.75A 4pd9A-3dcfA:
undetectable		 4pd9A-3dcfA:
20.24
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.
3dec BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		3 THR A  61
ASN A 108
PHE A 107
 None
 0.79A 4pd9A-3decA:
undetectable		 4pd9A-3decA:
18.10
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.
3dse BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		3 THR A 101
ASN A 391
PHE A 390
 None
 0.50A 4pd9A-3dseA:
undetectable		 4pd9A-3dseA:
21.67
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.
3dse BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		3 THR A 265
ASN A 368
PHE A 196
 None
 0.72A 4pd9A-3dseA:
undetectable		 4pd9A-3dseA:
21.67
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.
3e15 GLUCOSE-6-PHOSPHATE
1-DEHYDROGENASE

(Plasmodium
vivax) 		PF01182
(Glucosamine_iso) 		3 THR A 227
ASN A 170
PHE A 172
 None
 0.79A 4pd9A-3e15A:
undetectable		 4pd9A-3e15A:
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.
3enk UDP-GLUCOSE
4-EPIMERASE

(Burkholderia
pseudomallei) 		PF16363
(GDP_Man_Dehyd) 		3 THR A 227
ASN A 182
PHE A 181
 None
UPG  A 342 (-3.3A)
None
 0.82A 4pd9A-3enkA:
undetectable		 4pd9A-3enkA:
22.20
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.
3euc HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE 2

(Cupriavidus
pinatubonensis) 		PF00155
(Aminotran_1_2) 		3 THR A 346
ASN A 171
PHE A 141
 None
 0.82A 4pd9A-3eucA:
undetectable		 4pd9A-3eucA:
24.67
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.
3fxi TOLL-LIKE RECEPTOR 4

(Homo sapiens) 		PF13516
(LRR_6)
PF13855
(LRR_8) 		3 THR A 459
ASN A 409
PHE A 408
 None
 0.67A 4pd9A-3fxiA:
undetectable		 4pd9A-3fxiA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hjz TRANSALDOLASE B

(Prochlorococcus
marinus) 		PF00923
(TAL_FSA) 		3 THR A 223
ASN A 163
PHE A 162
 None
 0.64A 4pd9A-3hjzA:
undetectable		 4pd9A-3hjzA:
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.
3i1i HOMOSERINE
O-ACETYLTRANSFERASE

(Bacillus
anthracis) 		PF00561
(Abhydrolase_1) 		3 THR A 185
ASN A 221
PHE A 225
 None
 0.79A 4pd9A-3i1iA:
undetectable		 4pd9A-3i1iA:
23.88
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.
3ip3 OXIDOREDUCTASE,
PUTATIVE

(Thermotoga
maritima) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		3 THR A 309
ASN A  79
PHE A  76
 None
 0.79A 4pd9A-3ip3A:
undetectable		 4pd9A-3ip3A:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ivr PUTATIVE
LONG-CHAIN-FATTY-ACI
D COA LIGASE

(Rhodopseudomonas
palustris) 		PF00501
(AMP-binding) 		3 THR A 332
ASN A 185
PHE A 359
 GOL  A 513 (-4.6A)
None
None
 0.82A 4pd9A-3ivrA:
undetectable		 4pd9A-3ivrA:
25.79
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.
3j26 MINOR VIRION PROTEIN

(Mimivirus-dependent
virus Sputnik) 		no annotation 3 THR N  83
ASN N 144
PHE N 165
 None
 0.68A 4pd9A-3j26N:
undetectable		 4pd9A-3j26N:
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.
3m07 PUTATIVE ALPHA
AMYLASE

(Salmonella
enterica) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		3 THR A 122
ASN A 475
PHE A 447
 None
 0.74A 4pd9A-3m07A:
undetectable		 4pd9A-3m07A:
22.47
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.
3myb ENOYL-COA HYDRATASE

(Mycolicibacterium
smegmatis) 		PF00378
(ECH_1) 		3 THR A 126
ASN A  27
PHE A  26
 None
 0.74A 4pd9A-3mybA:
undetectable		 4pd9A-3mybA:
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.
3n3u ADENOSINE
MONOPHOSPHATE-PROTEI
N TRANSFERASE IBPA

(Histophilus
somni) 		PF02661
(Fic) 		3 THR A3688
ASN A3732
PHE A3743
 None
 0.67A 4pd9A-3n3uA:
0.3		 4pd9A-3n3uA:
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.
3nd0 SLL0855 PROTEIN

(Synechocystis
sp. PCC 6803) 		PF00654
(Voltage_CLC) 		3 THR A 324
ASN A 317
PHE A 316
 None
 0.81A 4pd9A-3nd0A:
undetectable		 4pd9A-3nd0A:
25.20
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.
3oix DIHYDROOROTATE
OXIDASE
PUTATIVE
DIHYDROOROTATE
DEHYDROGENASE

(Streptococcus
mutans) 		PF01180
(DHO_dh) 		3 THR A   6
ASN A  19
PHE A  42
 None
 0.65A 4pd9A-3oixA:
undetectable		 4pd9A-3oixA:
23.56
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.
3pxi NEGATIVE REGULATOR
OF GENETIC
COMPETENCE CLPC/MECB

(Bacillus
subtilis) 		PF00004
(AAA)
PF02151
(UVR)
PF02861
(Clp_N)
PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		3 THR A 603
ASN A 628
PHE A 627
 None
 0.81A 4pd9A-3pxiA:
undetectable		 4pd9A-3pxiA:
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.
3rkg MAGNESIUM
TRANSPORTER MRS2,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		no annotation 3 THR A 253
ASN A  70
PHE A  69
 None
 0.79A 4pd9A-3rkgA:
undetectable		 4pd9A-3rkgA:
18.20
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.
3s1v PROBABLE
TRANSALDOLASE

(Thermoplasma
acidophilum) 		PF00923
(TAL_FSA) 		3 THR A 161
ASN A 114
PHE A 113
 None
 0.83A 4pd9A-3s1vA:
undetectable		 4pd9A-3s1vA:
20.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tij NUPC FAMILY PROTEIN

(Vibrio cholerae) 		PF01773
(Nucleos_tra2_N)
PF07662
(Nucleos_tra2_C)
PF07670
(Gate) 		3 THR A 155
ASN A 331
PHE A 333
 None
URI  A 419 ( 4.0A)
URI  A 419 (-4.9A)
 0.16A 4pd9A-3tijA:
71.3		 4pd9A-3tijA:
99.53
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.
3ufa SERINE PROTEASE SPLA

(Staphylococcus
aureus) 		PF00089
(Trypsin) 		3 THR A  36
ASN A  49
PHE A  47
 None
 0.83A 4pd9A-3ufaA:
undetectable		 4pd9A-3ufaA:
19.48
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.
3x05 PHOSPHATIDYLINOSITOL
5-PHOSPHATE 4-KINASE
TYPE-2 BETA

(Homo sapiens) 		PF01504
(PIP5K) 		3 THR A 178
ASN A 203
PHE A 205
 None
AMP  A 501 (-3.2A)
AMP  A 501 ( 4.0A)
 0.84A 4pd9A-3x05A:
undetectable		 4pd9A-3x05A:
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.
3zuk ENDOPEPTIDASE,
PEPTIDASE FAMILY M13

(Mycobacterium
tuberculosis) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		3 THR A 557
ASN A 630
PHE A  25
 None
 0.70A 4pd9A-3zukA:
0.6		 4pd9A-3zukA:
21.02
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.
3zus BOTULINUM NEUROTOXIN
TYPE A,
SYNAPTOSOMAL-ASSOCIA
TED PROTEIN 23

(Clostridium
botulinum;
Homo sapiens) 		PF01742
(Peptidase_M27)
PF07952
(Toxin_trans) 		3 THR A 101
ASN A 391
PHE A 390
 None
 0.46A 4pd9A-3zusA:
2.4		 4pd9A-3zusA:
19.59
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.
4ayj BOGT -
METAL-INDEPENDENT
GLYCOSYLTRANSFERASE

(Bacteroides
ovatus) 		PF03414
(Glyco_transf_6) 		3 THR A  70
ASN A 196
PHE A 199
 None
 0.83A 4pd9A-4ayjA:
undetectable		 4pd9A-4ayjA:
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.
4buj ANTIVIRAL PROTEIN
SKI8

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		3 THR C 261
ASN C 206
PHE C 204
 None
 0.74A 4pd9A-4bujC:
undetectable		 4pd9A-4bujC:
21.63
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.
4bx9 VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 33A

(Homo sapiens) 		PF00995
(Sec1) 		3 THR A 554
ASN A 303
PHE A 304
 None
 0.80A 4pd9A-4bx9A:
2.1		 4pd9A-4bx9A:
22.22
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.
4cab CATALASE

(Deinococcus
radiodurans) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		3 THR A 208
ASN A 453
PHE A 305
 None
 0.82A 4pd9A-4cabA:
undetectable		 4pd9A-4cabA:
21.92
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.
4cab CATALASE

(Deinococcus
radiodurans) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		3 THR A 273
ASN A 335
PHE A 337
 None
 0.80A 4pd9A-4cabA:
undetectable		 4pd9A-4cabA:
21.92
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.
4ciu CHAPERONE PROTEIN
CLPB

(Escherichia
coli) 		PF00004
(AAA)
PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		3 THR A 663
ASN A 688
PHE A 687
 None
 0.74A 4pd9A-4ciuA:
undetectable		 4pd9A-4ciuA:
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.
4con ANAEROBIC
RIBONUCLEOSIDE-TRIPH
OSPHATE REDUCTASE

(Thermotoga
maritima) 		PF13597
(NRDD) 		3 THR A 534
ASN A 588
PHE A 587
 None
 0.77A 4pd9A-4conA:
undetectable		 4pd9A-4conA:
21.63
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.
4cp8 ALLOPHANATE
HYDROLASE

(Pseudomonas sp.
ADP) 		PF01425
(Amidase) 		3 THR A 184
ASN A 197
PHE A 196
 None
 0.84A 4pd9A-4cp8A:
undetectable		 4pd9A-4cp8A:
24.02
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.
4e4f MANNONATE
DEHYDRATASE

(Pectobacterium
carotovorum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 THR A 123
ASN A 206
PHE A 205
 None
 0.81A 4pd9A-4e4fA:
undetectable		 4pd9A-4e4fA:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ecn LEUCINE-RICH REPEAT
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF14660
(DUF4458) 		3 THR A 729
ASN A 702
PHE A 666
 None
 0.83A 4pd9A-4ecnA:
undetectable		 4pd9A-4ecnA:
18.69
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.
4ehj PHOSPHOGLYCERATE
KINASE

(Francisella
tularensis) 		PF00162
(PGK) 		3 THR A 143
ASN A 115
PHE A 114
 None
 0.55A 4pd9A-4ehjA:
undetectable		 4pd9A-4ehjA:
26.37
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.
4evi CONIFERYL ALCOHOL
9-O-METHYLTRANSFERAS
E

(Linum
nodiflorum) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		3 THR A 211
ASN A 170
PHE A 171
 None
 0.71A 4pd9A-4eviA:
undetectable		 4pd9A-4eviA:
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.
4ewt PEPTIDASE,
M20/M25/M40 FAMILY

(Staphylococcus
aureus) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		3 THR A 232
ASN A 302
PHE A 346
 None
 0.77A 4pd9A-4ewtA:
undetectable		 4pd9A-4ewtA:
24.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fd2 CHAPERONE PROTEIN
CLPB

(Thermus
thermophilus) 		PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		3 THR A 653
ASN A 678
PHE A 677
 None
 0.79A 4pd9A-4fd2A:
undetectable		 4pd9A-4fd2A:
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.
4fio METHENYLTETRAHYDROME
THANOPTERIN
CYCLOHYDROLASE

(Methanobrevibacter
ruminantium) 		PF02289
(MCH) 		3 THR A 124
ASN A 189
PHE A 288
 None
IPA  A 402 (-3.0A)
EEE  A 401 (-4.1A)
 0.73A 4pd9A-4fioA:
undetectable		 4pd9A-4fioA:
24.94
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.
4glk ABIQ

(Lactococcus
lactis) 		PF13958
(ToxN_toxin) 		3 THR A   9
ASN A  45
PHE A  44
 None
 0.77A 4pd9A-4glkA:
undetectable		 4pd9A-4glkA:
16.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hr6 LECTIN

(Trichosanthes
anguina) 		PF00161
(RIP) 		3 THR B  98
ASN B  90
PHE B  88
 None
 0.84A 4pd9A-4hr6B:
undetectable		 4pd9A-4hr6B:
18.74
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.
4ine PROTEIN PMT-2

(Caenorhabditis
elegans) 		PF08241
(Methyltransf_11) 		3 THR A  85
ASN A 135
PHE A 168
 None
 0.83A 4pd9A-4ineA:
undetectable		 4pd9A-4ineA:
23.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jc8 HOPS COMPONENT VPS33

(Chaetomium
thermophilum) 		PF00995
(Sec1) 		3 THR A 613
ASN A 316
PHE A 317
 None
 0.81A 4pd9A-4jc8A:
2.0		 4pd9A-4jc8A:
22.94
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.
4kxb GLUTAMYL
AMINOPEPTIDASE

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		3 THR A 539
ASN A 415
PHE A 400
 None
 0.68A 4pd9A-4kxbA:
2.6		 4pd9A-4kxbA:
19.04
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.
4l95 GAMMA-GLUTAMYL
HYDROLASE

(Danio rerio) 		no annotation 3 THR E 118
ASN E  96
PHE E 102
 None
 0.71A 4pd9A-4l95E:
undetectable		 4pd9A-4l95E:
22.78
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.
4m69 MIXED LINEAGE KINASE
DOMAIN-LIKE PROTEIN

(Mus musculus) 		PF07714
(Pkinase_Tyr) 		3 THR B 361
ASN B 371
PHE B 373
 None
 0.81A 4pd9A-4m69B:
undetectable		 4pd9A-4m69B:
19.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mo2 UDP-GALACTOPYRANOSE
MUTASE

(Campylobacter
jejuni) 		no annotation 3 THR B 289
ASN B  76
PHE B  78
 None
 0.62A 4pd9A-4mo2B:
undetectable		 4pd9A-4mo2B:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n2x DL-2-HALOACID
DEHALOGENASE

(Methylobacterium
sp. CPA1) 		PF10778
(DehI) 		3 THR A 278
ASN A 128
PHE A 268
 None
 0.81A 4pd9A-4n2xA:
undetectable		 4pd9A-4n2xA:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ng4 PHOSPHOGLYCERATE
KINASE

(Coxiella
burnetii) 		PF00162
(PGK) 		3 THR A 146
ASN A 118
PHE A 117
 None
 0.47A 4pd9A-4ng4A:
undetectable		 4pd9A-4ng4A:
22.98