SIMILAR PATTERNS OF AMINO ACIDS FOR 5HES_A_032A401_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.
1c5d MONOCLONAL ANTIBODY
AGAINST THE MAIN
IMMUNOGENIC REGION
OF THE HUMAN MUSCLE
ACETYLCHOLINE
RECEPTOR


(Rattus
norvegicus)
no annotation 4 PHE H 104
SER H  35
VAL H  34
ASP H  99
None
0.83A 5hesA-1c5dH:
undetectable
5hesA-1c5dH:
24.21
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.
1ck7 PROTEIN (GELATINASE
A)


(Homo sapiens)
PF00040
(fn2)
PF00045
(Hemopexin)
PF00413
(Peptidase_M10)
PF01471
(PG_binding_1)
4 PHE A 389
PHE A 184
VAL A  41
ASP A 188
None
1.12A 5hesA-1ck7A:
undetectable
5hesA-1ck7A:
18.97
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.
1eak 72 KDA TYPE IV
COLLAGENASE


(Homo sapiens)
PF00040
(fn2)
PF00413
(Peptidase_M10)
PF01471
(PG_binding_1)
4 PHE A 389
PHE A 184
VAL A  41
ASP A 188
None
1.15A 5hesA-1eakA:
undetectable
5hesA-1eakA:
21.04
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.
1ej6 LAMBDA1

(Reovirus sp.)
no annotation 4 LYS B 773
SER B 564
VAL B 563
ASP B 798
None
1.00A 5hesA-1ej6B:
undetectable
5hesA-1ej6B:
12.60
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.
1jv1 GLCNAC1P
URIDYLTRANSFERASE
ISOFORM 1: AGX1


(Homo sapiens)
PF01704
(UDPGP)
4 PHE A 332
SER A 246
VAL A 103
ASP A 261
None
1.27A 5hesA-1jv1A:
undetectable
5hesA-1jv1A:
22.05
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.
1khw RNA-DIRECTED RNA
POLYMERASE


(Rabbit
hemorrhagic
disease virus)
PF00680
(RdRP_1)
4 PHE A 349
SER A 326
VAL A 329
ASP A 346
None
1.25A 5hesA-1khwA:
undetectable
5hesA-1khwA:
20.68
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.
1kxh ALPHA-AMYLASE

(Pseudoalteromonas
haloplanktis)
PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
4 PHE A 371
SER A 398
VAL A 423
ASP A 395
None
1.23A 5hesA-1kxhA:
undetectable
5hesA-1kxhA:
19.31
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.
1lox 15-LIPOXYGENASE

(Oryctolagus
cuniculus)
PF00305
(Lipoxygenase)
PF01477
(PLAT)
4 PHE A 275
SER A 351
VAL A 348
ASP A 278
None
1.30A 5hesA-1loxA:
undetectable
5hesA-1loxA:
18.91
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.
1nr0 ACTIN INTERACTING
PROTEIN 1


(Caenorhabditis
elegans)
PF00400
(WD40)
PF12894
(ANAPC4_WD40)
4 PHE A 175
PHE A 134
SER A 165
VAL A 153
None
1.03A 5hesA-1nr0A:
undetectable
5hesA-1nr0A:
18.77
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.
1ny5 TRANSCRIPTIONAL
REGULATOR (NTRC
FAMILY)


(Aquifex
aeolicus)
PF00072
(Response_reg)
PF00158
(Sigma54_activat)
4 LYS A 101
PHE A  98
VAL A   5
ASP A  51
None
1.18A 5hesA-1ny5A:
undetectable
5hesA-1ny5A:
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.
1ogo DEXTRANASE

(Talaromyces
minioluteus)
PF03718
(Glyco_hydro_49)
PF17433
(Glyco_hydro_49N)
4 LYS X  39
SER X 161
VAL X 162
ASP X 167
None
1.11A 5hesA-1ogoX:
undetectable
5hesA-1ogoX:
17.76
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.
1pvh INTERLEUKIN-6
RECEPTOR BETA CHAIN


(Homo sapiens)
PF00041
(fn3)
PF09240
(IL6Ra-bind)
4 PHE A 147
PHE A 136
VAL A 162
ASP A 149
None
1.23A 5hesA-1pvhA:
undetectable
5hesA-1pvhA:
17.76
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.
1qo8 FLAVOCYTOCHROME C3
FUMARATE REDUCTASE


(Shewanella
frigidimarina)
PF00890
(FAD_binding_2)
PF14537
(Cytochrom_c3_2)
4 PHE A 525
SER A 303
VAL A 124
ASP A 557
None
1.25A 5hesA-1qo8A:
undetectable
5hesA-1qo8A:
19.37
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.
1w18 LEVANSUCRASE

(Gluconacetobacter
diazotrophicus)
PF02435
(Glyco_hydro_68)
4 PHE A 241
PHE A 180
SER A 239
VAL A 238
None
1.24A 5hesA-1w18A:
undetectable
5hesA-1w18A:
20.38
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.
1wyt GLYCINE
DEHYDROGENASE
(DECARBOXYLATING)
SUBUNIT 1
GLYCINE
DEHYDROGENASE
SUBUNIT 2
(P-PROTEIN)


(Thermus
thermophilus)
PF02347
(GDC-P)
4 PHE A  91
PHE B  68
SER B  58
ASP B  65
None
1.07A 5hesA-1wytA:
undetectable
5hesA-1wytA:
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.
1xrs D-LYSINE
5,6-AMINOMUTASE
ALPHA SUBUNIT


(Acetoanaerobium
sticklandii)
PF09043
(Lys-AminoMut_A)
4 PHE A 340
SER A 316
VAL A 313
ASP A 298
None
None
None
PLP  B 801 ( 4.7A)
1.26A 5hesA-1xrsA:
undetectable
5hesA-1xrsA:
21.55
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.
1xzz INOSITOL
1,4,5-TRISPHOSPHATE
RECEPTOR TYPE 1


(Mus musculus)
PF08709
(Ins145_P3_rec)
4 PHE A  58
SER A 175
VAL A 176
ASP A  13
None
1.17A 5hesA-1xzzA:
undetectable
5hesA-1xzzA:
20.49
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.
1z7m ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT


(Lactococcus
lactis)
PF13393
(tRNA-synt_His)
4 PHE A 107
PHE A  47
SER A 105
VAL A  42
None
1.30A 5hesA-1z7mA:
undetectable
5hesA-1z7mA:
22.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cit ENDOGLUCANASE H

(Ruminiclostridium
thermocellum)
PF02156
(Glyco_hydro_26)
4 LYS A 100
SER A  49
VAL A  51
ASP A  56
None
1.29A 5hesA-2citA:
undetectable
5hesA-2citA:
22.26
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.
2dvm 439AA LONG
HYPOTHETICAL MALATE
OXIDOREDUCTASE


(Pyrococcus
horikoshii)
PF00390
(malic)
PF03949
(Malic_M)
4 PHE A 192
SER A 185
VAL A 210
ASP A 265
None
1.30A 5hesA-2dvmA:
undetectable
5hesA-2dvmA:
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.
2euc HYPOTHETICAL PROTEIN
YFMB


(Bacillus
subtilis)
PF11486
(DUF3212)
4 PHE A  52
SER A  16
VAL A  15
ASP A  47
None
1.09A 5hesA-2eucA:
undetectable
5hesA-2eucA:
15.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fvg ENDOGLUCANASE

(Thermotoga
maritima)
PF05343
(Peptidase_M42)
4 PHE A 165
PHE A 190
SER A   7
ASP A 167
None
1.19A 5hesA-2fvgA:
undetectable
5hesA-2fvgA:
22.19
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.
2j63 AP-ENDONUCLEASE

(Leishmania
major)
PF03372
(Exo_endo_phos)
4 PHE A 330
PHE A 427
SER A 377
VAL A 378
None
1.20A 5hesA-2j63A:
undetectable
5hesA-2j63A:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2m83 PROTEIN PHOSPHATASE
1 REGULATORY SUBUNIT
3A


(Oryctolagus
cuniculus)
PF03370
(CBM_21)
4 LYS A 157
PHE A 220
SER A 191
ASP A 188
None
1.09A 5hesA-2m83A:
undetectable
5hesA-2m83A:
20.07
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.
2n7e DNA DAMAGE-INDUCIBLE
PROTEIN 1


(Saccharomyces
cerevisiae)
no annotation 4 PHE A 138
SER A 120
VAL A 119
ASP A 127
None
1.09A 5hesA-2n7eA:
undetectable
5hesA-2n7eA:
16.85
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.
2o0a S.CEREVISIAE
CHROMOSOME XVI
READING FRAME ORF
YPL253C


(Saccharomyces
cerevisiae)
PF16796
(Microtub_bd)
4 PHE A 410
PHE A 443
SER A 632
VAL A 635
None
1.20A 5hesA-2o0aA:
undetectable
5hesA-2o0aA:
21.01
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.
2p4p HYPOTHETICAL PROTEIN
HD1797


([Haemophilus]
ducreyi)
PF03471
(CorC_HlyC)
4 PHE A  28
PHE A  54
VAL A  19
ASP A  58
None
MLY  A  61 ( 3.7A)
CA  A 201 ( 4.2A)
MLY  A  59 ( 3.2A)
1.17A 5hesA-2p4pA:
undetectable
5hesA-2p4pA:
12.46
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.
2qlu ACTIVIN RECEPTOR
TYPE IIB


(Homo sapiens)
PF00069
(Pkinase)
4 LYS A 217
PHE A 247
SER A 272
ASP A 339
None
0.68A 5hesA-2qluA:
8.7
5hesA-2qluA:
29.31
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.
2ve7 KINETOCHORE PROTEIN
HEC1, KINETOCHORE
PROTEIN SPC25


(Homo sapiens)
PF03801
(Ndc80_HEC)
PF08234
(Spindle_Spc25)
4 PHE A 129
SER A 113
VAL A 112
ASP A 124
None
1.29A 5hesA-2ve7A:
undetectable
5hesA-2ve7A:
22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y7i STM4351

(Salmonella
enterica)
PF00497
(SBP_bac_3)
4 PHE A  66
PHE A  80
VAL A  86
ASP A  84
None
None
None
ZN  A1247 (-2.2A)
1.24A 5hesA-2y7iA:
undetectable
5hesA-2y7iA:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3al0 GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A


(Thermotoga
maritima)
PF01425
(Amidase)
4 PHE A 193
PHE A 125
VAL A 340
ASP A 112
None
1.23A 5hesA-3al0A:
undetectable
5hesA-3al0A:
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.
3asa LL-DIAMINOPIMELATE
AMINOTRANSFERASE


(Chlamydia
trachomatis)
PF00155
(Aminotran_1_2)
4 PHE A 269
PHE A 201
SER A 113
ASP A 107
None
1.12A 5hesA-3asaA:
undetectable
5hesA-3asaA:
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.
3cvr INVASION PLASMID
ANTIGEN


(Shigella
flexneri)
PF12468
(TTSSLRR)
PF14496
(NEL)
4 PHE A 431
SER A 324
VAL A 323
ASP A 423
None
1.24A 5hesA-3cvrA:
undetectable
5hesA-3cvrA:
19.62
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.
3dzd TRANSCRIPTIONAL
REGULATOR (NTRC
FAMILY)


(Aquifex
aeolicus)
PF00072
(Response_reg)
PF00158
(Sigma54_activat)
4 LYS A 102
PHE A  99
VAL A   6
ASP A  52
None
1.20A 5hesA-3dzdA:
undetectable
5hesA-3dzdA:
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.
3eb7 INSECTICIDAL
DELTA-ENDOTOXIN
CRY8EA1


(Bacillus
thuringiensis)
PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N)
4 PHE A 493
PHE A 326
VAL A 490
ASP A 308
None
1.26A 5hesA-3eb7A:
undetectable
5hesA-3eb7A:
17.89
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.
3ein GLUTATHIONE
S-TRANSFERASE 1-1


(Drosophila
melanogaster)
PF00043
(GST_C)
PF02798
(GST_N)
4 PHE A 137
SER A 165
VAL A 164
ASP A 101
None
1.29A 5hesA-3einA:
undetectable
5hesA-3einA:
23.27
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.
3f2b DNA-DIRECTED DNA
POLYMERASE III ALPHA
CHAIN


(Geobacillus
kaustophilus)
PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6)
4 PHE A 978
SER A1300
VAL A1304
ASP A1104
None
1.17A 5hesA-3f2bA:
undetectable
5hesA-3f2bA:
15.08
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.
3f6f CG18548-PA
(IP02196P)
(IP02193P)


(Drosophila
melanogaster)
PF00043
(GST_C)
PF13417
(GST_N_3)
4 PHE A 137
SER A 165
VAL A 164
ASP A 101
None
1.25A 5hesA-3f6fA:
undetectable
5hesA-3f6fA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fk4 RUBISCO-LIKE PROTEIN

(Bacillus cereus)
PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N)
4 PHE A 300
SER A 333
VAL A 355
ASP A 350
None
1.24A 5hesA-3fk4A:
undetectable
5hesA-3fk4A:
21.90
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.
3g2f BONE MORPHOGENETIC
PROTEIN RECEPTOR
TYPE-2


(Homo sapiens)
PF00069
(Pkinase)
4 LYS A 230
PHE A 260
SER A 286
ASP A 351
ADP  A 900 (-2.8A)
None
ADP  A 900 (-3.6A)
ADP  A 900 ( 2.7A)
0.80A 5hesA-3g2fA:
8.7
5hesA-3g2fA:
29.65
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.
3hmj FATTY ACID SYNTHASE
SUBUNIT ALPHA


(Saccharomyces
cerevisiae)
PF00109
(ketoacyl-synt)
PF01648
(ACPS)
PF02801
(Ketoacyl-synt_C)
4 PHE A 668
SER A 523
VAL A 526
ASP A 661
None
1.28A 5hesA-3hmjA:
undetectable
5hesA-3hmjA:
10.33
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.
3jb9 PRE-MRNA-SPLICING
FACTOR CWF11


(Schizosaccharomyces
pombe)
PF13087
(AAA_12)
PF16399
(Aquarius_N)
4 PHE X 528
SER X 479
VAL X 613
ASP X 519
None
1.10A 5hesA-3jb9X:
undetectable
5hesA-3jb9X:
13.18
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.
3kzv UNCHARACTERIZED
OXIDOREDUCTASE
YIR035C


(Saccharomyces
cerevisiae)
PF00106
(adh_short)
4 LYS A  47
SER A  11
VAL A  10
ASP A  20
None
GOL  A 255 (-2.8A)
None
None
1.25A 5hesA-3kzvA:
undetectable
5hesA-3kzvA:
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.
3lk7 UDP-N-ACETYLMURAMOYL
ALANINE--D-GLUTAMATE
LIGASE


(Streptococcus
agalactiae)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M)
4 LYS A 311
PHE A 445
SER A 427
ASP A 439
None
None
CL  A 454 ( 4.6A)
None
0.93A 5hesA-3lk7A:
undetectable
5hesA-3lk7A:
18.95
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.
3lxu TRIPEPTIDYL-PEPTIDAS
E 2


(Drosophila
melanogaster)
PF00082
(Peptidase_S8)
PF12580
(TPPII)
PF12583
(TPPII_N)
4 PHE X1320
PHE X1164
VAL X1307
ASP X1318
None
1.28A 5hesA-3lxuX:
undetectable
5hesA-3lxuX:
12.80
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.
3mdy BONE MORPHOGENETIC
PROTEIN RECEPTOR
TYPE-1B


(Homo sapiens)
PF07714
(Pkinase_Tyr)
PF08515
(TGF_beta_GS)
4 LYS A 231
PHE A 261
SER A 286
ASP A 350
None
None
None
LDN  A   1 (-3.9A)
0.59A 5hesA-3mdyA:
24.6
5hesA-3mdyA:
29.64
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.
3nix FLAVOPROTEIN/DEHYDRO
GENASE


(Cytophaga
hutchinsonii)
PF01494
(FAD_binding_3)
4 PHE A 134
SER A 139
VAL A 140
ASP A 131
None
1.25A 5hesA-3nixA:
undetectable
5hesA-3nixA:
21.52
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.
3o90 NICOTINAMIDASE

(Streptococcus
pneumoniae)
PF00857
(Isochorismatase)
4 PHE A  50
SER A 124
VAL A 123
ASP A  46
None
1.15A 5hesA-3o90A:
undetectable
5hesA-3o90A:
22.36
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.
3pd7 DNA TOPOISOMERASE
2-BINDING PROTEIN 1


(Homo sapiens)
PF00533
(BRCT)
4 LYS A 915
SER A 960
VAL A 961
ASP A 953
None
1.26A 5hesA-3pd7A:
undetectable
5hesA-3pd7A:
15.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ppz SERINE/THREONINE-PRO
TEIN KINASE CTR1


(Arabidopsis
thaliana)
PF07714
(Pkinase_Tyr)
4 LYS A 578
PHE A 611
SER A 632
ASP A 694
STU  A   1 (-3.5A)
None
STU  A   1 ( 4.3A)
STU  A   1 (-3.5A)
0.45A 5hesA-3ppzA:
10.3
5hesA-3ppzA:
35.91
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.
3q4t ACTIVIN RECEPTOR
TYPE-2A


(Homo sapiens)
PF00069
(Pkinase)
4 LYS A 219
PHE A 249
SER A 274
ASP A 340
TAK  A   2 (-2.9A)
None
None
None
0.95A 5hesA-3q4tA:
8.6
5hesA-3q4tA:
28.12
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.
3rde ARACHIDONATE
12-LIPOXYGENASE,
12S-TYPE


(Sus scrofa)
PF00305
(Lipoxygenase)
4 PHE A 275
SER A 351
VAL A 348
ASP A 278
None
1.30A 5hesA-3rdeA:
undetectable
5hesA-3rdeA:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rmv GLYCOGENIN-1

(Homo sapiens)
PF01501
(Glyco_transf_8)
4 LYS A 209
SER A 121
VAL A 138
ASP A 113
None
1.20A 5hesA-3rmvA:
undetectable
5hesA-3rmvA:
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.
3tr4 INORGANIC
PYROPHOSPHATASE


(Coxiella
burnetii)
PF00719
(Pyrophosphatase)
4 PHE A 164
LYS A 157
VAL A  86
ASP A  12
None
1.23A 5hesA-3tr4A:
undetectable
5hesA-3tr4A:
22.33
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.
3vr1 PEPTIDE CHAIN
RELEASE FACTOR 3


(Desulfovibrio
vulgaris)
PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF16658
(RF3_C)
4 PHE A 315
PHE A 358
SER A  72
VAL A  73
None
1.29A 5hesA-3vr1A:
undetectable
5hesA-3vr1A:
19.71
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.
3wfl BETA-MANNANASE

(Talaromyces
trachyspermus)
PF00150
(Cellulase)
4 PHE A 270
SER A 288
VAL A 291
ASP A 336
None
1.28A 5hesA-3wflA:
undetectable
5hesA-3wflA:
20.49
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.
3zif HEXON PROTEIN

(Bovine
mastadenovirus
B)
PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C)
4 LYS A 549
SER A 574
VAL A 575
ASP A  75
None
1.22A 5hesA-3zifA:
undetectable
5hesA-3zifA:
16.44
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.
3zpp CELL WALL SURFACE
ANCHOR FAMILY
PROTEIN


(Streptococcus
pneumoniae)
PF12708
(Pectate_lyase_3)
PF13229
(Beta_helix)
4 PHE A 190
SER A 142
VAL A 176
ASP A 162
None
1.25A 5hesA-3zppA:
undetectable
5hesA-3zppA:
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.
4c02 ACTIVIN RECEPTOR
TYPE-1


(Homo sapiens)
PF00069
(Pkinase)
PF08515
(TGF_beta_GS)
4 LYS A 235
PHE A 265
SER A 290
ASP A 354
TAK  A1507 ( 4.5A)
None
None
TAK  A1507 (-3.5A)
1.01A 5hesA-4c02A:
24.5
5hesA-4c02A:
28.13
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.
4gcm THIOREDOXIN
REDUCTASE


(Staphylococcus
aureus)
PF07992
(Pyr_redox_2)
4 LYS A 169
PHE A 197
SER A 215
VAL A 216
None
1.03A 5hesA-4gcmA:
undetectable
5hesA-4gcmA:
20.12
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.
4i6f SERINE/THREONINE-PRO
TEIN KINASE PLK2


(Homo sapiens)
PF00069
(Pkinase)
4 LYS A 111
PHE A 145
SER A 166
ASP A 223
1C7  A 401 ( 4.7A)
None
None
None
0.83A 5hesA-4i6fA:
6.8
5hesA-4i6fA:
25.44
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.
4id0 GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN YIBF


(Pseudomonas
fluorescens)
PF13410
(GST_C_2)
PF13417
(GST_N_3)
4 LYS A  14
SER A 108
VAL A 109
ASP A 102
ACT  A 301 ( 4.7A)
None
None
None
1.24A 5hesA-4id0A:
undetectable
5hesA-4id0A:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4igb LPXTG CELL WALL
SURFACE PROTEIN


(Streptococcus
gordonii)
no annotation 4 PHE D 109
PHE D 173
SER D  69
VAL D  70
None
1.20A 5hesA-4igbD:
undetectable
5hesA-4igbD:
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.
4j9u TRK SYSTEM POTASSIUM
UPTAKE PROTEIN TRKH


(Vibrio
parahaemolyticus)
PF02386
(TrkH)
4 PHE A 102
LYS A 457
SER A  85
ASP A 100
None
1.23A 5hesA-4j9uA:
undetectable
5hesA-4j9uA:
20.25
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.
4jja HYPOTHETICAL PROTEIN

(Bacteroides
fragilis)
PF07075
(DUF1343)
4 PHE A  79
LYS A  96
VAL A  69
ASP A  60
None
1.29A 5hesA-4jjaA:
undetectable
5hesA-4jjaA:
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.
4mr0 PLASMIN AND
FIBRONECTIN-BINDING
PROTEIN A


(Streptococcus
pneumoniae)
PF12708
(Pectate_lyase_3)
PF13229
(Beta_helix)
4 PHE A 201
SER A 153
VAL A 187
ASP A 173
None
1.24A 5hesA-4mr0A:
undetectable
5hesA-4mr0A:
16.82
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.
4myn FORMIMINOGLUTAMASE

(Trypanosoma
cruzi)
PF00491
(Arginase)
4 LYS A 233
PHE A 254
SER A 201
VAL A 203
None
1.24A 5hesA-4mynA:
undetectable
5hesA-4mynA:
20.57
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.
4ni2 GUANYLATE CYCLASE
SOLUBLE SUBUNIT
BETA-1


(Homo sapiens)
PF00211
(Guanylate_cyc)
4 PHE B 457
PHE B 468
SER B 425
ASP B 502
None
1.25A 5hesA-4ni2B:
undetectable
5hesA-4ni2B:
23.40
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.
4pfm 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE


(Shewanella
benthica)
PF00701
(DHDPS)
4 PHE A 214
SER A 204
VAL A   7
ASP A  37
None
1.18A 5hesA-4pfmA:
undetectable
5hesA-4pfmA:
21.51
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.
4rhm ARGINASE

(Trypanosoma
brucei)
PF00491
(Arginase)
4 PHE A 148
SER A 182
VAL A 181
ASP A 153
None
1.25A 5hesA-4rhmA:
undetectable
5hesA-4rhmA:
18.11
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.
4u9c LACTOFERRIN-BINDING
PROTEIN B


(Neisseria
meningitidis)
PF01298
(TbpB_B_D)
PF17484
(TbpB_A)
4 LYS A 293
SER A 334
VAL A 335
ASP A 307
None
1.26A 5hesA-4u9cA:
undetectable
5hesA-4u9cA:
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.
4w8o LUCIFERASE-LIKE
ENZYMEAMP-COA-LIGASE


(Zophobas
atratus)
PF00501
(AMP-binding)
4 PHE A 333
SER A 348
VAL A 346
ASP A 343
None
1.17A 5hesA-4w8oA:
undetectable
5hesA-4w8oA:
21.90
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.
4y85 MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 8


(Homo sapiens)
PF00069
(Pkinase)
4 LYS A 167
SER A 214
VAL A 260
ASP A 270
499  A 401 (-2.8A)
499  A 401 (-3.7A)
499  A 401 (-4.6A)
499  A 401 (-3.7A)
0.69A 5hesA-4y85A:
7.7
5hesA-4y85A:
27.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K


(Homo sapiens)
PF07714
(Pkinase_Tyr)
4 LYS A 490
PHE A 524
SER A 546
ASP A 606
4CV  A 801 (-3.9A)
None
None
4CV  A 801 (-3.5A)
0.81A 5hesA-4yffA:
8.4
5hesA-4yffA:
31.53
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.
4zg7 ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2


(Homo sapiens)
PF01033
(Somatomedin_B)
PF01223
(Endonuclease_NS)
PF01663
(Phosphodiest)
4 PHE A 680
SER A 637
VAL A 636
ASP A 617
None
0.95A 5hesA-4zg7A:
undetectable
5hesA-4zg7A:
18.55
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.
5cyf PUTATIVE URIDINE
PHOSPHORYLASE


(Schistosoma
mansoni)
PF01048
(PNP_UDP_1)
4 PHE A  41
LYS A  82
PHE A  30
ASP A  38
None
1.28A 5hesA-5cyfA:
undetectable
5hesA-5cyfA:
23.80
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.
5dku PREX DNA POLYMERASE

(Plasmodium
falciparum)
PF00476
(DNA_pol_A)
PF01612
(DNA_pol_A_exo1)
4 PHE A 608
SER A 617
VAL A 616
ASP A 579
None
1.29A 5hesA-5dkuA:
undetectable
5hesA-5dkuA:
19.34
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.
5dl7 PORIN

(Acinetobacter
baumannii)
PF03573
(OprD)
4 PHE A 292
PHE A 348
VAL A 304
ASP A 351
None
1.20A 5hesA-5dl7A:
undetectable
5hesA-5dl7A:
19.80
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.
5dwz 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3


(Pseudomonas
aeruginosa)
PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III)
4 PHE C 230
PHE C 240
SER C 228
VAL C 206
None
0.71A 5hesA-5dwzC:
undetectable
5hesA-5dwzC:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5esx PURINE/PYRIMIDINE
PHOSPHORIBOSYLTRANSF
ERASE


(Legionella
pneumophila)
PF00156
(Pribosyltran)
4 PHE A 151
SER A  20
VAL A  23
ASP A  28
None
1.09A 5hesA-5esxA:
undetectable
5hesA-5esxA:
20.39
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.
5f8v AMINOTRANSFERASE,
CLASS V FAMILY
PROTEIN


(Trichomonas
vaginalis)
PF00266
(Aminotran_5)
4 PHE A 109
PHE A 167
SER A 124
VAL A 125
None
1.00A 5hesA-5f8vA:
undetectable
5hesA-5f8vA:
24.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fd2 SERINE/THREONINE-PRO
TEIN KINASE B-RAF


(Homo sapiens)
PF07714
(Pkinase_Tyr)
4 LYS A 483
PHE A 516
SER A 536
ASP A 594
5XJ  A 801 (-3.8A)
None
None
None
0.59A 5hesA-5fd2A:
10.2
5hesA-5fd2A:
31.12
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.
5gt2 PROBABLE
DEFERROCHELATASE/PER
OXIDASE YFEX


(Escherichia
coli)
PF04261
(Dyp_perox)
4 LYS A 297
PHE A  60
VAL A 160
ASP A 166
None
1.24A 5hesA-5gt2A:
undetectable
5hesA-5gt2A:
22.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gzt CHITINASE

(Paenibacillus
sp. FPU-7)
PF00704
(Glyco_hydro_18)
4 PHE B 590
SER B 648
VAL B 647
ASP B 626
None
1.26A 5hesA-5gztB:
undetectable
5hesA-5gztB:
14.27
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.
5huu ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
[UDP-FORMING]


(Candida
albicans)
PF00982
(Glyco_transf_20)
4 PHE A 269
PHE A 444
VAL A 276
ASP A 370
None
1.25A 5hesA-5huuA:
undetectable
5hesA-5huuA:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m7o NITROGEN
ASSIMILATION
REGULATORY PROTEIN


(Brucella
abortus)
PF00072
(Response_reg)
PF00158
(Sigma54_activat)
PF02954
(HTH_8)
4 LYS A 105
PHE A 102
VAL A   7
ASP A  53
MG  A 501 (-3.6A)
None
None
MG  A 501 (-2.9A)
1.02A 5hesA-5m7oA:
undetectable
5hesA-5m7oA:
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.
5ot1 PULLULANASE TYPE II,
GH13 FAMILY


(Thermococcus
kodakarensis)
no annotation 4 PHE A 417
SER A 289
VAL A 288
ASP A 549
None
1.30A 5hesA-5ot1A:
undetectable
5hesA-5ot1A:
14.85
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.
5uib OXIDOREDUCTASE
PROTEIN


(Agrobacterium
tumefaciens)
PF01408
(GFO_IDH_MocA)
4 PHE A 323
SER A 231
VAL A 230
ASP A 178
None
None
None
TLA  A 402 (-3.4A)
1.27A 5hesA-5uibA:
undetectable
5hesA-5uibA:
20.39
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.
5xbp 3NT OXYGENASE ALPHA
SUBUNIT
3NT OXYGENASE BETA
SUBUNIT


(Diaphorobacter
sp. DS2)
PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A)
PF00866
(Ring_hydroxyl_B)
4 LYS A 312
PHE A 329
SER C  67
VAL C  84
None
1.20A 5hesA-5xbpA:
undetectable
5hesA-5xbpA:
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.
5yem CATALASE

(Mycothermus
thermophilus)
no annotation 4 PHE A 466
PHE A 305
SER A 505
VAL A 504
None
1.23A 5hesA-5yemA:
undetectable
5hesA-5yemA:
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.
5yvf -

(-)
no annotation 4 PHE A 391
PHE A  65
SER A 269
VAL A 270
None
1.23A 5hesA-5yvfA:
undetectable
5hesA-5yvfA:
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.
5ywp JEV E PROTEIN

(Japanese
encephalitis
virus)
no annotation 4 LYS A  84
SER A 251
VAL A 252
ASP A  67
None
1.24A 5hesA-5ywpA:
undetectable
5hesA-5ywpA:
15.03
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.
6cw5 RIBOKINASE

(Cryptococcus
neoformans)
no annotation 4 PHE A 279
SER A 312
VAL A 313
ASP A 273
None
1.25A 5hesA-6cw5A:
undetectable
5hesA-6cw5A:
16.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6dg4 ULP1-LIKE SUMO
PROTEASE


(Chaetomium
thermophilum)
no annotation 4 LYS A 119
PHE A 175
VAL A 182
ASP A 179
None
1.22A 5hesA-6dg4A:
undetectable
5hesA-6dg4A:
14.63
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.
6ek6 LYSINE-SPECIFIC
DEMETHYLASE
5B,LYSINE-SPECIFIC
DEMETHYLASE 5B


(Homo sapiens)
no annotation 4 PHE A  46
SER A 470
VAL A 471
ASP A 606
None
1.29A 5hesA-6ek6A:
undetectable
5hesA-6ek6A:
13.22
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.
6etz BETA-GALACTOSIDASE

(Arthrobacter
sp. 32cB)
no annotation 4 LYS A 428
SER A  53
VAL A 303
ASP A 230
None
1.18A 5hesA-6etzA:
undetectable
5hesA-6etzA:
16.30
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.
6fdy -

(-)
no annotation 4 LYS U  44
PHE U  80
VAL U  75
ASP U 157
DB8  U 301 ( 4.0A)
None
DB8  U 301 (-4.8A)
DB8  U 301 (-3.6A)
1.11A 5hesA-6fdyU:
6.5
5hesA-6fdyU:
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.
6fwf NITRIC-OXIDE
REDUCTASE


(Neisseria
meningitidis)
no annotation 4 PHE A 193
SER A 138
VAL A  40
ASP A  53
None
1.29A 5hesA-6fwfA:
undetectable
5hesA-6fwfA:
13.16
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.
6g2j NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
4L


(Mus musculus)
no annotation 4 PHE K  41
PHE K   6
SER K  45
VAL K  46
None
1.26A 5hesA-6g2jK:
undetectable
5hesA-6g2jK:
13.31