SIMILAR PATTERNS OF AMINO ACIDS FOR 4S0V_A_SUVA2001_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.
1c9l CLATHRIN

(Rattus
norvegicus) 		PF01394
(Clathrin_propel)
PF09268
(Clathrin-link) 		5 THR A 214
VAL A 233
GLN A 203
GLU A 268
ILE A 230
 None
 1.32A 4s0vA-1c9lA:
undetectable		 4s0vA-1c9lA:
19.96
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.
1f26 NITRIC OXIDE
REDUCTASE

(Fusarium
oxysporum) 		PF00067
(p450) 		5 THR A 120
VAL A 121
VAL A 159
ILE A 153
ASN A 241
 None
None
None
HEM  A 501 (-4.3A)
None
 1.27A 4s0vA-1f26A:
undetectable		 4s0vA-1f26A:
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.
1f2d 1-AMINOCYCLOPROPANE-
1-CARBOXYLATE
DEAMINASE

(Cyberlindnera
saturnus) 		PF00291
(PALP) 		5 THR A 202
GLN A  80
THR A  81
VAL A  84
GLU A 100
 PLP  A 342 (-2.9A)
None
None
None
None
 1.15A 4s0vA-1f2dA:
undetectable		 4s0vA-1f2dA:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g67 THIAMIN PHOSPHATE
SYNTHASE

(Bacillus
subtilis) 		PF02581
(TMP-TENI) 		5 GLN A  57
GLU A  60
ILE A 208
ASN A  36
TYR A  29
 ICP  A2001 (-3.3A)
None
TZP  A2005 (-3.6A)
None
ICP  A2001 (-4.2A)
 1.25A 4s0vA-1g67A:
2.6		 4s0vA-1g67A:
17.69
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.
1i41 CYSTATHIONINE
GAMMA-SYNTHASE

(Nicotiana
tabacum) 		PF01053
(Cys_Met_Meta_PP) 		5 THR A  84
THR A 116
VAL A 117
ILE A  72
TYR A  87
 None
 1.28A 4s0vA-1i41A:
3.1		 4s0vA-1i41A:
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.
1k25 LOW-AFFINITY
PENICILLIN-BINDING
PROTEIN 2X

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
PF03793
(PASTA) 		5 THR A 292
VAL A 294
GLN A 458
THR A 457
GLN A 460
 None
 1.49A 4s0vA-1k25A:
undetectable		 4s0vA-1k25A:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kkr 3-METHYLASPARTATE
AMMONIA-LYASE

(Citrobacter
amalonaticus) 		PF05034
(MAAL_N)
PF07476
(MAAL_C) 		5 THR A 142
VAL A 106
THR A 370
VAL A 374
GLN A 136
 None
 1.41A 4s0vA-1kkrA:
undetectable		 4s0vA-1kkrA:
22.77
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.
1pox PYRUVATE OXIDASE

(Lactobacillus
plantarum) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 THR A 206
VAL A 202
THR A 236
GLN A 232
ILE A 217
 None
 1.36A 4s0vA-1poxA:
2.5		 4s0vA-1poxA:
21.23
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.
1tzm 1-AMINOCYCLOPROPANE-
1-CARBOXYLATE
DEAMINASE

(Pseudomonas sp.
ACP) 		PF00291
(PALP) 		5 THR A 199
GLN A  80
THR A  81
VAL A  84
GLU A 100
 PLP  A 401 ( 2.8A)
None
None
None
None
 0.95A 4s0vA-1tzmA:
undetectable		 4s0vA-1tzmA:
21.54
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.
1u2z HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC

(Saccharomyces
cerevisiae) 		PF08123
(DOT1) 		5 VAL A 531
GLN A 496
GLU A 492
ILE A 517
ASN A 521
 None
 1.20A 4s0vA-1u2zA:
2.7		 4s0vA-1u2zA:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v6c ALKALINE SERINE
PROTEASE

(Pseudoalteromonas
sp. AS-11) 		PF00082
(Peptidase_S8)
PF02225
(PA) 		5 THR A  72
VAL A  69
GLN A   8
ILE A  26
TYR A  33
 None
 1.39A 4s0vA-1v6cA:
3.8		 4s0vA-1v6cA:
21.50
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.
2cex PROTEIN HI0146

(Haemophilus
influenzae) 		PF03480
(DctP) 		5 GLU A 253
ILE A 210
ASN A 212
HIS A 209
TYR A  85
 None
 1.38A 4s0vA-2cexA:
undetectable		 4s0vA-2cexA:
19.02
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.
2ekl D-3-PHOSPHOGLYCERATE
DEHYDROGENASE

(Sulfurisphaera
tokodaii) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 THR A 299
VAL A 295
THR A  11
ILE A  82
ASN A  81
 None
 1.36A 4s0vA-2eklA:
5.3		 4s0vA-2eklA:
22.87
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.
2eq9 PYRUVATE
DEHYDROGENASE
COMPLEX,
DIHYDROLIPOAMIDE
DEHYDROGENASE E3
COMPONENT

(Thermus
thermophilus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 THR A 304
VAL A 306
THR A 278
GLU A 284
ILE A  15
 None
None
None
None
FAD  A8482 (-4.5A)
 1.49A 4s0vA-2eq9A:
3.0		 4s0vA-2eq9A:
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.
2gh8 CAPSID PROTEIN

(Vesicular
exanthema of
swine virus) 		PF00915
(Calici_coat) 		5 THR A 458
VAL A 586
THR A 620
VAL A 612
TYR A 497
 None
 1.24A 4s0vA-2gh8A:
undetectable		 4s0vA-2gh8A:
20.16
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 VAL A  74
THR A 178
VAL A  29
ILE A 175
TYR A 160
 None
 1.34A 4s0vA-2h2qA:
undetectable		 4s0vA-2h2qA:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qf7 PYRUVATE CARBOXYLASE
PROTEIN

(Rhizobium etli) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF00682
(HMGL-like)
PF02436
(PYC_OADA)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 THR A 882
VAL A 881
THR A 588
VAL A 591
GLU A 582
 None
 1.32A 4s0vA-2qf7A:
undetectable		 4s0vA-2qf7A:
18.31
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.
2qjg PUTATIVE ALDOLASE
MJ0400

(Methanocaldococcus
jannaschii) 		PF01791
(DeoC) 		5 VAL A  36
THR A 104
VAL A 105
ILE A 118
HIS A  85
 None
 1.39A 4s0vA-2qjgA:
undetectable		 4s0vA-2qjgA:
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.
2rhq PHENYLALANYL-TRNA
SYNTHETASE ALPHA
CHAIN

(Staphylococcus
haemolyticus) 		PF01409
(tRNA-synt_2d) 		5 THR A 232
VAL A 236
VAL A 220
GLN A 177
GLU A 216
 None
None
None
GAX  A 352 (-4.0A)
GAX  A 352 (-3.7A)
 1.11A 4s0vA-2rhqA:
undetectable		 4s0vA-2rhqA:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rhq PHENYLALANYL-TRNA
SYNTHETASE ALPHA
CHAIN
PHENYLALANYL-TRNA
SYNTHETASE BETA
CHAIN

(Staphylococcus
haemolyticus) 		PF01409
(tRNA-synt_2d)
PF01588
(tRNA_bind)
PF03147
(FDX-ACB)
PF03483
(B3_4)
PF03484
(B5) 		5 THR A 113
VAL A 116
THR B 520
GLU A 135
ILE B 581
 None
 1.32A 4s0vA-2rhqA:
undetectable		 4s0vA-2rhqA:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2uv8 FATTY ACID SYNTHASE
SUBUNIT BETA (FAS1)

(Saccharomyces
cerevisiae) 		PF00698
(Acyl_transf_1)
PF01575
(MaoC_dehydratas)
PF08354
(DUF1729)
PF13452
(MaoC_dehydrat_N)
PF16073
(SAT) 		5 VAL G 488
TRP G 490
THR G 279
GLN G 245
ILE G 306
 None
 0.87A 4s0vA-2uv8G:
undetectable		 4s0vA-2uv8G:
13.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vhl N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Bacillus
subtilis) 		PF01979
(Amidohydro_1) 		5 THR A 176
THR A 250
VAL A 249
ILE A  62
HIS A 134
 None
 1.31A 4s0vA-2vhlA:
undetectable		 4s0vA-2vhlA:
21.19
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.
2xry DEOXYRIBODIPYRIMIDIN
E PHOTOLYASE

(Methanosarcina
mazei) 		PF00875
(DNA_photolyase) 		5 THR A 377
THR A 370
ASN A 266
HIS A 374
TYR A 457
 None
None
FAD  A1463 (-4.6A)
None
None
 1.36A 4s0vA-2xryA:
undetectable		 4s0vA-2xryA:
22.49
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.
2y8n 4-HYDROXYPHENYLACETA
TE DECARBOXYLASE
LARGE SUBUNIT

(Clostridium
scatologenes) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 VAL A 395
GLN A 343
VAL A 337
ILE A 387
ASN A 406
 None
 1.40A 4s0vA-2y8nA:
2.0		 4s0vA-2y8nA:
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.
3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00682
(HMGL-like)
PF02436
(PYC_OADA) 		5 THR A 908
VAL A 907
THR A 611
VAL A 614
GLU A 605
 None
 1.35A 4s0vA-3bg9A:
undetectable		 4s0vA-3bg9A:
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.
3c02 AQUAGLYCEROPORIN

(Plasmodium
falciparum) 		PF00230
(MIP) 		5 THR A 103
VAL A 106
GLU A 125
ILE A 119
HIS A  35
 None
 1.20A 4s0vA-3c02A:
2.3		 4s0vA-3c02A:
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.
3dkh LACCASE-1

(Melanocarpus
albomyces) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 THR A  90
THR A  80
VAL A  79
ILE A  60
ASN A  61
 None
 1.21A 4s0vA-3dkhA:
undetectable		 4s0vA-3dkhA:
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.
3edn PHENAZINE
BIOSYNTHESIS
PROTEIN, PHZF FAMILY

(Bacillus
anthracis) 		PF02567
(PhzC-PhzF) 		5 THR A 229
VAL A 228
THR A 160
ILE A 166
HIS A 198
 SO4  A 300 (-4.5A)
None
None
None
None
 1.27A 4s0vA-3ednA:
undetectable		 4s0vA-3ednA:
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.
3eqn GLUCAN
1,3-BETA-GLUCOSIDASE

(Phanerochaete
chrysosporium) 		PF12708
(Pectate_lyase_3) 		5 VAL A 449
GLN A 107
ILE A 181
ASN A 155
HIS A 383
 None
None
None
None
ZN  A 757 ( 3.4A)
 1.42A 4s0vA-3eqnA:
undetectable		 4s0vA-3eqnA:
19.67
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.
3ez4 3-METHYL-2-OXOBUTANO
ATE
HYDROXYMETHYLTRANSFE
RASE

(Burkholderia
pseudomallei) 		PF02548
(Pantoate_transf) 		5 THR A  21
THR A  55
GLU A 112
ILE A  63
TYR A  23
 None
 1.27A 4s0vA-3ez4A:
3.2		 4s0vA-3ez4A:
19.43
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.
3ez4 3-METHYL-2-OXOBUTANO
ATE
HYDROXYMETHYLTRANSFE
RASE

(Burkholderia
pseudomallei) 		PF02548
(Pantoate_transf) 		5 THR A  21
THR A  55
VAL A  58
GLU A 112
TYR A  23
 None
 1.44A 4s0vA-3ez4A:
3.2		 4s0vA-3ez4A:
19.43
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.
3ez4 3-METHYL-2-OXOBUTANO
ATE
HYDROXYMETHYLTRANSFE
RASE

(Burkholderia
pseudomallei) 		PF02548
(Pantoate_transf) 		5 VAL A 210
THR A  55
VAL A  58
GLU A 112
TYR A  23
 None
 1.40A 4s0vA-3ez4A:
3.2		 4s0vA-3ez4A:
19.43
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.
3f9s PUTATIVE POLYKETIDE
CYCLASE

(Acidithiobacillus
ferrooxidans) 		PF07366
(SnoaL) 		5 THR A 113
VAL A  18
GLN A  69
HIS A 125
TYR A 115
 GOL  A 146 ( 4.1A)
None
None
GOL  A 146 (-4.1A)
None
 0.99A 4s0vA-3f9sA:
undetectable		 4s0vA-3f9sA:
13.52
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.
3fmc PUTATIVE
SUCCINYLGLUTAMATE
DESUCCINYLASE /
ASPARTOACYLASE

(Shewanella
amazonensis) 		PF04952
(AstE_AspA) 		5 VAL A   8
GLN A  38
ILE A  52
ASN A  49
TYR A  36
 None
 1.33A 4s0vA-3fmcA:
2.7		 4s0vA-3fmcA:
21.09
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.
3g6s PUTATIVE
ENDONUCLEASE/EXONUCL
EASE/PHOSPHATASE
FAMILY PROTEIN

(Bacteroides
vulgatus) 		PF03372
(Exo_endo_phos) 		5 GLN A  45
THR A 137
ILE A 223
ASN A 174
HIS A 251
 None
 1.29A 4s0vA-3g6sA:
undetectable		 4s0vA-3g6sA:
15.04
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.
3ihj ALANINE
AMINOTRANSFERASE 2

(Homo sapiens) 		PF00155
(Aminotran_1_2) 		5 THR A 168
VAL A 174
GLN A 303
GLU A 300
ILE A 181
 None
 1.35A 4s0vA-3ihjA:
2.3		 4s0vA-3ihjA:
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.
3lwu SUCCINYLGLUTAMATE
DESUCCINYLASE/ASPART
OACYLASE

(Shewanella
frigidimarina) 		PF04952
(AstE_AspA) 		5 VAL A   9
GLN A  40
ILE A  54
ASN A  51
TYR A  38
 None
 1.34A 4s0vA-3lwuA:
2.2		 4s0vA-3lwuA:
23.06
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.
3mc6 SPHINGOSINE-1-PHOSPH
ATE LYASE

(Saccharomyces
cerevisiae) 		PF00282
(Pyridoxal_deC) 		5 VAL C 173
TRP C 164
GLN C 184
THR C 185
ILE C 427
 None
 1.37A 4s0vA-3mc6C:
undetectable		 4s0vA-3mc6C:
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.
3nz4 PHENYLALANINE
AMMONIA-LYASE

(Taxus
canadensis) 		PF00221
(Lyase_aromatic) 		5 THR A  20
THR A 342
ILE A  35
ASN A 350
HIS A  39
 None
 1.36A 4s0vA-3nz4A:
undetectable		 4s0vA-3nz4A:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rom ADP-RIBOSYL CYCLASE
1

(Homo sapiens) 		PF02267
(Rib_hydrolayse) 		5 VAL A  85
GLN A 115
THR A 116
VAL A 117
TYR A  70
 None
 1.49A 4s0vA-3romA:
undetectable		 4s0vA-3romA:
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.
4at3 BDNF/NT-3 GROWTH
FACTORS RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 THR A 662
VAL A 653
GLN A 668
VAL A 832
HIS A 648
 None
 1.49A 4s0vA-4at3A:
undetectable		 4s0vA-4at3A:
18.81
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.
4eiu UNCHARACTERIZED
HYPOTHETICAL PROTEIN

(Bacteroides
uniformis) 		PF12866
(DUF3823) 		5 THR A 251
VAL A 253
VAL A  47
GLN A 134
ILE A  97
 None
PEG  A 302 (-4.8A)
None
None
None
 1.13A 4s0vA-4eiuA:
undetectable		 4s0vA-4eiuA:
16.49
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.
4evi CONIFERYL ALCOHOL
9-O-METHYLTRANSFERAS
E

(Linum
nodiflorum) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		5 THR A 336
VAL A 304
GLN A 339
ILE A 300
TYR A 352
 None
 1.42A 4s0vA-4eviA:
undetectable		 4s0vA-4eviA:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ez5 CYCLIN-DEPENDENT
KINASE 6

(Homo sapiens) 		PF00069
(Pkinase) 		5 VAL A 117
THR A 154
VAL A 101
GLN A 158
ILE A 151
 None
None
0RS  A 900 (-4.5A)
None
None
 1.16A 4s0vA-4ez5A:
undetectable		 4s0vA-4ez5A:
20.85
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.
4jx6 PYRUVATE CARBOXYLASE

(Rhizobium etli) 		PF00682
(HMGL-like)
PF02436
(PYC_OADA) 		5 THR A 882
VAL A 881
THR A 588
VAL A 591
GLU A 582
 PYR  A1101 (-4.4A)
None
None
None
None
 1.31A 4s0vA-4jx6A:
undetectable		 4s0vA-4jx6A:
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.
4k3g IMMUNOGLOBULIN
LAMBDA VARIABLE
DOMAIN L5(L89S)

(Homo sapiens) 		PF07686
(V-set) 		5 THR A 105
VAL A 106
GLN A 103
GLU A  85
ILE A  75
 None
 1.48A 4s0vA-4k3gA:
undetectable		 4s0vA-4k3gA:
12.85
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.
4k6m POLYPROTEIN

(Japanese
encephalitis
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		5 TRP A 305
GLN A 606
THR A 609
VAL A 608
ILE A 571
 None
 1.47A 4s0vA-4k6mA:
undetectable		 4s0vA-4k6mA:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qsl PYRUVATE CARBOXYLASE

(Listeria
monocytogenes) 		no annotation 5 THR H 874
VAL H 873
THR H 580
VAL H 583
GLU H 574
 None
 1.41A 4s0vA-4qslH:
3.5		 4s0vA-4qslH:
18.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rp8 ASCORBATE-SPECIFIC
PERMEASE IIC
COMPONENT ULAA

(Escherichia
coli) 		PF03611
(EIIC-GAT) 		5 THR A 366
GLN A 197
THR A 173
ILE A 136
HIS A 194
 None
None
None
None
ASC  A 501 (-4.1A)
 1.48A 4s0vA-4rp8A:
undetectable		 4s0vA-4rp8A:
22.01
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.
4rv3 1-PHOSPHATIDYLINOSIT
OL PHOSPHODIESTERASE

(Staphylococcus
aureus) 		PF00388
(PI-PLC-X) 		5 VAL A 237
THR A  48
GLN A  49
ILE A 259
ASN A 260
 None
None
None
PF5  A 258 ( 4.4A)
None
 1.12A 4s0vA-4rv3A:
undetectable		 4s0vA-4rv3A:
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.
4v2x ENDO-BETA-1,4-GLUCAN
ASE (CELLULASE B)

(Bacillus
halodurans) 		PF00150
(Cellulase)
PF03442
(CBM_X2) 		5 TRP A 181
THR A 247
VAL A 216
ASN A  47
HIS A 128
 None
 1.36A 4s0vA-4v2xA:
undetectable		 4s0vA-4v2xA:
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.
4xpx BACTERIOHEMERYTHRIN

(Methylococcus
capsulatus) 		PF01814
(Hemerythrin) 		5 THR A  13
VAL A  15
GLU A  63
ILE A  25
HIS A  22
 None
None
None
None
FE2  A 202 (-3.3A)
 1.45A 4s0vA-4xpxA:
4.3		 4s0vA-4xpxA:
12.34
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.
4yvd PLEIOTROPIC
REGULATOR 1

(Homo sapiens) 		PF00400
(WD40) 		5 VAL A 450
THR A 420
VAL A 379
ILE A 416
HIS A 412
 None
UNX  A 615 ( 3.8A)
UNX  A 617 ( 4.1A)
None
None
 1.33A 4s0vA-4yvdA:
undetectable		 4s0vA-4yvdA:
20.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4zj8 HUMAN OX1R FUSION
PROTEIN TO P.ABYSII
GLYCOGEN SYNTHASE

(Homo sapiens;
Pyrococcus
abyssi) 		PF00001
(7tm_1)
PF00534
(Glycos_transf_1) 		10 VAL A 106
TRP A 112
GLN A 126
VAL A 130
GLN A 179
GLU A 204
ILE A 314
ASN A 318
HIS A 344
TYR A 348
 SUV  A2001 (-4.5A)
None
SUV  A2001 (-3.8A)
SUV  A2001 (-4.7A)
SUV  A2001 (-3.3A)
SUV  A2001 (-4.4A)
SUV  A2001 (-3.8A)
SUV  A2001 (-2.9A)
SUV  A2001 (-3.5A)
SUV  A2001 (-4.8A)
 0.52A 4s0vA-4zj8A:
46.2		 4s0vA-4zj8A:
83.39
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.
5b48 2-OXOACID--FERREDOXI
N OXIDOREDUCTASE
ALPHA SUBUNIT

(Sulfurisphaera
tokodaii) 		PF01558
(POR)
PF01855
(POR_N) 		5 THR A 340
VAL A 338
THR A 236
HIS A 404
TYR A 342
 None
 1.23A 4s0vA-5b48A:
3.6		 4s0vA-5b48A:
22.27
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.
5evy SALICYLATE
HYDROXYLASE

(Pseudomonas
putida) 		PF01494
(FAD_binding_3) 		5 VAL X 367
VAL X 303
GLU X 411
ILE X 310
HIS X 315
 None
 1.41A 4s0vA-5evyX:
3.5		 4s0vA-5evyX:
22.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fcs DIABODY

(Homo sapiens) 		PF07686
(V-set) 		5 THR L  81
VAL L 109
GLN L 121
GLU L 119
ILE L  76
 None
 1.49A 4s0vA-5fcsL:
undetectable		 4s0vA-5fcsL:
16.70
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.
5fcs DIABODY

(Homo sapiens) 		PF07686
(V-set) 		5 THR L  81
VAL L 109
GLN L 121
GLU L 119
TYR L  87
 None
 1.48A 4s0vA-5fcsL:
undetectable		 4s0vA-5fcsL:
16.70
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.
5fui ENDO-1,3-BETA-GLUCAN
ASE, FAMILY GH16

(Zobellia
galactanivorans) 		PF03422
(CBM_6) 		5 VAL A 317
GLN A 356
THR A 357
VAL A 358
ILE A 383
 None
 1.33A 4s0vA-5fuiA:
undetectable		 4s0vA-5fuiA:
10.76
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.
5hy3 ANTITOXIN DMD
MRNA
ENDORIBONUCLEASE
LSOA

(Escherichia
coli;
Escherichia
virus T4) 		PF15935
(RnlA_toxin)
PF17587
(Dmd) 		5 THR B  34
VAL B  56
GLN B  35
GLU A 246
TYR A  94
 None
 1.40A 4s0vA-5hy3B:
undetectable		 4s0vA-5hy3B:
6.65
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.
5ojs TRANSCRIPTION-ASSOCI
ATED PROTEIN 1

(Saccharomyces
cerevisiae) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT) 		5 THR T3568
TRP T3743
THR T3257
ASN T3250
HIS T3570
 None
 1.29A 4s0vA-5ojsT:
undetectable		 4s0vA-5ojsT:
9.29
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.
5t98 GLYCOSIDE HYDROLASE

(Bacteroides
uniformis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 THR A 473
VAL A 491
THR A 372
ILE A 435
TYR A 516
 None
None
EDO  A 907 (-4.5A)
None
None
 1.34A 4s0vA-5t98A:
undetectable		 4s0vA-5t98A:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uwz ALDEHYDE
DECARBONYLASE

(Gloeobacter
violaceus) 		no annotation 5 THR A  42
GLN A  96
GLN A  97
GLU A 101
ILE A 110
 None
EDO  A 301 ( 4.9A)
None
None
None
 1.31A 4s0vA-5uwzA:
2.3		 4s0vA-5uwzA:
9.90
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.
5vj7 OXIDOREDUCTASE

(Pyrococcus
furiosus) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		5 THR A 232
VAL A 227
GLN A 234
GLU A 418
ILE A 245
 None
FAD  A 503 (-4.1A)
None
None
None
 1.19A 4s0vA-5vj7A:
3.4		 4s0vA-5vj7A:
23.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x1y MERCURIC REDUCTASE

(Lysinibacillus
sphaericus) 		no annotation 5 THR B 428
VAL B 432
VAL B 254
GLN B 279
ILE B 260
 None
None
None
None
FAD  B 601 ( 3.8A)
 1.35A 4s0vA-5x1yB:
undetectable		 4s0vA-5x1yB:
23.74