SIMILAR PATTERNS OF AMINO ACIDS FOR 1YC2_E_NCAE507_0

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.
1amu GRAMICIDIN
SYNTHETASE 1


(Brevibacillus
brevis)
PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
4 ILE A 352
PHE A 214
LEU A 218
ILE A 330
None
None
None
PHE  A 566 (-4.6A)
0.74A 1yc2E-1amuA:
undetectable
1yc2E-1amuA:
18.83
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.
1avb ARCELIN-1

(Phaseolus
vulgaris)
PF00139
(Lectin_legB)
4 PHE A 225
ASN A  55
ILE A  54
ASP A 194
None
0.87A 1yc2E-1avbA:
undetectable
1yc2E-1avbA:
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.
1dus MJ0882

(Methanocaldococcus
jannaschii)
PF05175
(MTS)
4 ILE A  90
ASN A  86
ILE A  85
ASP A  84
None
0.90A 1yc2E-1dusA:
4.2
1yc2E-1dusA:
24.11
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.
1g65 PROTEASOME COMPONENT
PUP3


(Saccharomyces
cerevisiae)
PF00227
(Proteasome)
4 ILE I 125
PHE I 109
ILE I 119
ASP I 120
None
0.66A 1yc2E-1g65I:
undetectable
1yc2E-1g65I:
24.43
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.
1gso PROTEIN (GLYCINAMIDE
RIBONUCLEOTIDE
SYNTHETASE)


(Escherichia
coli)
PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N)
4 ILE A  48
LEU A   4
ILE A  53
ASP A  52
None
0.90A 1yc2E-1gsoA:
3.5
1yc2E-1gsoA:
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.
1gyu ADAPTER-RELATED
PROTEIN COMPLEX 1
GAMMA 1 SUBUNIT


(Mus musculus)
PF02883
(Alpha_adaptinC2)
4 ILE A 782
PHE A 816
LEU A 792
ILE A 796
None
0.90A 1yc2E-1gyuA:
undetectable
1yc2E-1gyuA:
19.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1i81 PUTATIVE SNRNP
SM-LIKE PROTEIN


(Methanothermobacter
thermautotrophicus)
PF01423
(LSM)
4 LEU A  70
ASN A  75
ILE A  76
ASP A  74
None
0.88A 1yc2E-1i81A:
undetectable
1yc2E-1i81A:
16.52
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.
1kob TWITCHIN

(Aplysia
californica)
PF00069
(Pkinase)
4 LEU A 105
ASN A 179
ILE A 175
ASP A 174
None
0.97A 1yc2E-1kobA:
undetectable
1yc2E-1kobA:
20.10
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.
1nw1 CHOLINE KINASE (49.2
KD)


(Caenorhabditis
elegans)
PF01633
(Choline_kinase)
4 ILE A 327
PHE A 402
ILE A 323
ASP A 324
None
None
CA  A 430 (-4.3A)
None
0.71A 1yc2E-1nw1A:
undetectable
1yc2E-1nw1A:
19.40
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.
1p2z HEXON PROTEIN

(Human
mastadenovirus
C)
PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C)
4 LEU A 383
ASN A 343
ILE A 345
ASP A 342
None
0.95A 1yc2E-1p2zA:
undetectable
1yc2E-1p2zA:
12.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q1a HST2 PROTEIN

(Saccharomyces
cerevisiae)
PF02146
(SIR2)
6 ILE A  41
PHE A  44
LEU A  51
ASN A 116
ILE A 117
ASP A 118
None
OAD  A1001 (-3.5A)
None
None
OAD  A1001 ( 4.4A)
None
0.72A 1yc2E-1q1aA:
21.2
1yc2E-1q1aA:
33.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1s5p NAD-DEPENDENT
DEACETYLASE


(Escherichia
coli)
PF02146
(SIR2)
4 ILE A  57
ASN A 130
ILE A 131
ASP A 132
None
0.36A 1yc2E-1s5pA:
21.8
1yc2E-1s5pA:
39.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1s7g NAD-DEPENDENT
DEACETYLASE 2


(Archaeoglobus
fulgidus)
PF02146
(SIR2)
4 ILE A  32
ASN A 101
ILE A 102
ASP A 103
1PE  A 504 ( 4.7A)
None
None
None
0.27A 1yc2E-1s7gA:
32.9
1yc2E-1s7gA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tve HOMOSERINE
DEHYDROGENASE


(Saccharomyces
cerevisiae)
PF00742
(Homoserine_dh)
PF03447
(NAD_binding_3)
4 PHE A 120
LEU A 130
ASN A 116
ASP A  91
None
0.94A 1yc2E-1tveA:
2.9
1yc2E-1tveA:
21.08
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.
1vfd LACTOFERRIN

(Homo sapiens)
PF00405
(Transferrin)
4 ILE A  49
LEU A  59
ILE A 267
ASP A  55
None
0.96A 1yc2E-1vfdA:
undetectable
1yc2E-1vfdA:
21.24
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.
1vj7 BIFUNCTIONAL
RELA/SPOT


(Streptococcus
dysgalactiae)
PF04607
(RelA_SpoT)
PF13328
(HD_4)
4 ILE A 101
LEU A  61
ILE A 135
ASP A 134
None
0.83A 1yc2E-1vj7A:
undetectable
1yc2E-1vj7A:
22.51
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.
1yq1 GLUTATHIONE
S-TRANSFERASE


(Caenorhabditis
elegans)
PF02798
(GST_N)
PF14497
(GST_C_3)
4 ILE A  68
PHE A  22
LEU A  21
ILE A  57
None
0.92A 1yc2E-1yq1A:
undetectable
1yc2E-1yq1A:
20.59
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.
1yrg GTPASE-ACTIVATING
PROTEIN RNA1_SCHPO


(Schizosaccharomyces
pombe)
no annotation 4 PHE A  25
LEU A  28
ASN A  42
ILE A  44
None
0.84A 1yc2E-1yrgA:
undetectable
1yc2E-1yrgA:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z7a CONSERVED
HYPOTHETICAL PROTEIN


(Pseudomonas
aeruginosa)
PF01522
(Polysacc_deac_1)
4 ILE A 263
PHE A  90
LEU A  89
ILE A 256
None
0.72A 1yc2E-1z7aA:
undetectable
1yc2E-1z7aA:
19.39
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.
2d4a MALATE DEHYDROGENASE

(Aeropyrum
pernix)
no annotation 4 ILE B   2
LEU B  28
ILE B  54
ASP B  24
None
0.88A 1yc2E-2d4aB:
4.2
1yc2E-2d4aB:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2exa PENICILLIN-BINDING
PROTEIN 4


(Escherichia
coli)
PF02113
(Peptidase_S13)
4 ILE A  27
LEU A  36
ILE A 473
ASP A 472
None
0.91A 1yc2E-2exaA:
undetectable
1yc2E-2exaA:
19.65
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.
2fco RECOMBINATION
PROTEIN U
(PENICILLIN-BINDING
PROTEIN RELATED
FACTOR A)


(Geobacillus
kaustophilus)
PF03838
(RecU)
4 LEU A  37
ASN A  88
ILE A  96
ASP A  97
None
0.93A 1yc2E-2fcoA:
undetectable
1yc2E-2fcoA:
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.
2gep SULFITE REDUCTASE
HEMOPROTEIN


(Escherichia
coli)
PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr)
4 ILE A 458
PHE A 450
LEU A 451
ILE A 527
None
0.95A 1yc2E-2gepA:
undetectable
1yc2E-2gepA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hd3 ETHANOLAMINE
UTILIZATION PROTEIN
EUTN


(Escherichia
coli)
PF03319
(EutN_CcmL)
4 ILE A  44
LEU A  57
ASN A  46
ASP A  22
None
0.91A 1yc2E-2hd3A:
undetectable
1yc2E-2hd3A:
17.72
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.
2hjh NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2


(Saccharomyces
cerevisiae)
PF02146
(SIR2)
PF04574
(DUF592)
5 ILE A 271
PHE A 274
ASN A 345
ILE A 346
ASP A 347
NCA  A 900 (-4.6A)
NCA  A 900 ( 3.9A)
None
NCA  A 900 (-4.6A)
None
0.43A 1yc2E-2hjhA:
19.9
1yc2E-2hjhA:
25.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jc4 EXODEOXYRIBONUCLEASE
III


(Neisseria
meningitidis)
PF03372
(Exo_endo_phos)
4 PHE A 124
LEU A 127
ASN A 148
ASP A 146
None
None
ACT  A1260 ( 4.7A)
None
0.90A 1yc2E-2jc4A:
undetectable
1yc2E-2jc4A:
19.13
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.
2kxs TIGHT JUNCTION
PROTEIN ZO-1,
LINKER, PEPTIDE OF
MYOCARDIUM-ENRICHED
ZO-ASSOCIATED
PROTEIN


(Homo sapiens;
synthetic
construct)
PF00791
(ZU5)
4 ILE A  23
LEU A  31
ASN A  25
ILE A  47
None
0.87A 1yc2E-2kxsA:
undetectable
1yc2E-2kxsA:
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.
2ltt PUTATIVE
UNCHARACTERIZED
PROTEIN YDBC


(Lactococcus
lactis)
PF02229
(PC4)
4 ILE A  41
PHE A  62
LEU A  65
ILE A  14
None
0.87A 1yc2E-2lttA:
undetectable
1yc2E-2lttA:
15.54
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.
2mqw 26S PROTEASOME
REGULATORY SUBUNIT
RPN9


(Saccharomyces
cerevisiae)
no annotation 4 PHE A 106
LEU A 102
ASN A  74
ILE A  73
None
0.93A 1yc2E-2mqwA:
undetectable
1yc2E-2mqwA:
21.07
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.
2nux 2-KETO-3-DEOXYGLUCON
ATE/2-KETO-3-DEOXY-6
-PHOSPHO GLUCONATE
ALDOLASE


(Sulfolobus
acidocaldarius)
PF00701
(DHDPS)
4 PHE A 199
LEU A 245
ASN A 179
ILE A 226
None
0.93A 1yc2E-2nuxA:
undetectable
1yc2E-2nuxA:
23.36
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.
2obe HEXON

(Human
mastadenovirus
E)
PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C)
4 LEU A 353
ASN A 313
ILE A 315
ASP A 312
None
0.97A 1yc2E-2obeA:
undetectable
1yc2E-2obeA:
14.19
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.
2qzi UNCHARACTERIZED
PROTEIN


(Streptococcus
thermophilus)
PF08860
(DUF1827)
4 ILE A  77
LEU A  79
ILE A  73
ASP A  74
None
0.94A 1yc2E-2qziA:
undetectable
1yc2E-2qziA:
17.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wb7 PT26-6P

(Thermococcus
sp. 26-2)
no annotation 4 PHE A 387
LEU A 383
ASN A 151
ASP A 153
None
0.87A 1yc2E-2wb7A:
undetectable
1yc2E-2wb7A:
18.60
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.
2x7q POSSIBLE THIAMINE
BIOSYNTHESIS ENZYME


(Candida
albicans)
PF09084
(NMT1)
4 ILE A  46
ASN A  72
ILE A  68
ASP A  67
None
0.70A 1yc2E-2x7qA:
undetectable
1yc2E-2x7qA:
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.
2ypb T-CELL ACUTE
LYMPHOCYTIC LEUKEMIA
PROTEIN 1
TRANSCRIPTION FACTOR
E2-ALPHA


(Homo sapiens;
Homo sapiens)
PF00010
(HLH)
PF00010
(HLH)
4 ILE B 588
PHE A 207
LEU A 210
ILE B 562
None
0.93A 1yc2E-2ypbB:
undetectable
1yc2E-2ypbB:
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.
2ys6 PHOSPHORIBOSYLGLYCIN
AMIDE SYNTHETASE


(Geobacillus
kaustophilus)
PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N)
4 ILE A  46
LEU A   4
ILE A  51
ASP A  50
None
0.91A 1yc2E-2ys6A:
3.0
1yc2E-2ys6A:
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.
2yyv PROBABLE
2-PHOSPHOSULFOLACTAT
E PHOSPHATASE


(Thermotoga
maritima)
PF04029
(2-ph_phosp)
4 ILE A  20
PHE A 114
LEU A 117
ASP A 145
None
0.93A 1yc2E-2yyvA:
undetectable
1yc2E-2yyvA:
23.13
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.
2z8z LIPASE

(Pseudomonas sp.
MIS38)
PF00353
(HemolysinCabind)
4 LEU A 261
ASN A 160
ILE A 159
ASP A 161
None
0.98A 1yc2E-2z8zA:
undetectable
1yc2E-2z8zA:
15.70
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.
3axi OLIGO-1,6-GLUCOSIDAS
E IMA1


(Saccharomyces
cerevisiae)
PF00128
(Alpha-amylase)
4 ILE A 437
LEU A 318
ASN A 415
ILE A 419
None
0.98A 1yc2E-3axiA:
undetectable
1yc2E-3axiA:
17.80
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.
3ay0 UNCHARACTERIZED
PROTEIN MJ0883


(Methanocaldococcus
jannaschii)
PF02475
(Met_10)
4 ILE A 229
ASN A 225
ILE A 224
ASP A 223
None
ADN  A 401 (-4.9A)
ADN  A 401 (-3.7A)
ADN  A 401 (-2.6A)
0.84A 1yc2E-3ay0A:
undetectable
1yc2E-3ay0A:
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.
3b95 EUCHROMATIC
HISTONE-LYSINE
N-METHYLTRANSFERASE
1


(Homo sapiens)
PF12796
(Ank_2)
PF13637
(Ank_4)
4 ILE A 847
LEU A 894
ASN A 876
ASP A 872
None
0.81A 1yc2E-3b95A:
undetectable
1yc2E-3b95A:
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.
3b9e CHITINASE A

(Vibrio harveyi)
PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N)
4 ILE A 269
LEU A 301
ILE A 312
ASP A 311
None
0.96A 1yc2E-3b9eA:
2.1
1yc2E-3b9eA:
17.64
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.
3cl6 PUUE ALLANTOINASE

(Pseudomonas
fluorescens)
PF01522
(Polysacc_deac_1)
4 ILE A 263
PHE A  90
LEU A  89
ILE A 256
None
0.70A 1yc2E-3cl6A:
undetectable
1yc2E-3cl6A:
20.97
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.
3co8 ALANINE RACEMASE

(Oenococcus oeni)
PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N)
4 PHE A 164
ASN A 134
ILE A 136
ASP A 130
None
0.94A 1yc2E-3co8A:
undetectable
1yc2E-3co8A:
24.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d5n Q97W15_SULSO

(Sulfolobus
solfataricus)
PF12804
(NTP_transf_3)
4 LEU A  81
ASN A   2
ILE A   3
ASP A  88
None
0.84A 1yc2E-3d5nA:
undetectable
1yc2E-3d5nA:
22.83
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.
3dli METHYLTRANSFERASE

(Archaeoglobus
fulgidus)
PF13489
(Methyltransf_23)
4 ILE A 317
ASN A 313
ILE A 312
ASP A 311
None
0.85A 1yc2E-3dliA:
4.9
1yc2E-3dliA:
21.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dsm UNCHARACTERIZED
PROTEIN BACUNI_02894


(Bacteroides
uniformis)
no annotation 4 ILE A 202
LEU A 253
ASN A 257
ILE A 256
None
0.96A 1yc2E-3dsmA:
undetectable
1yc2E-3dsmA:
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.
3feg CHOLINE/ETHANOLAMINE
KINASE


(Homo sapiens)
PF01633
(Choline_kinase)
4 LEU A 126
ASN A 247
ILE A 243
ASP A 242
None
MG  A 399 ( 2.7A)
None
HC7  A   1 (-2.8A)
0.84A 1yc2E-3fegA:
undetectable
1yc2E-3fegA:
19.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gwj ARYLPHORIN

(Antheraea
pernyi)
PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C)
4 ILE A 201
ASN A 157
ILE A 158
ASP A 159
None
0.75A 1yc2E-3gwjA:
undetectable
1yc2E-3gwjA:
16.43
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.
3imi HIT FAMILY PROTEIN

(Bacillus
anthracis)
PF01230
(HIT)
4 ILE A  35
PHE A  32
LEU A  44
ILE A  18
None
0.95A 1yc2E-3imiA:
undetectable
1yc2E-3imiA:
21.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3jr3 NAD-DEPENDENT
DEACETYLASE


(Thermotoga
maritima)
PF02146
(SIR2)
4 ILE A  30
ASN A  99
ILE A 100
ASP A 101
None
0.50A 1yc2E-3jr3A:
27.6
1yc2E-3jr3A:
42.47
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.
3l01 GLGA GLYCOGEN
SYNTHASE


(Pyrococcus
abyssi)
PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5)
4 ILE A 287
PHE A 321
LEU A 317
LYS A 311
None
0.82A 1yc2E-3l01A:
5.4
1yc2E-3l01A:
24.16
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.
3lxm ASPARTATE
CARBAMOYLTRANSFERASE


(Yersinia pestis)
PF00185
(OTCace)
PF02729
(OTCace_N)
4 LEU A 216
ASN A 157
ILE A 158
ASP A 224
None
0.92A 1yc2E-3lxmA:
5.2
1yc2E-3lxmA:
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.
3m9v FAD-DEPENDENT
OXIDOREDUCTASE


(Actinomadura
kijaniata)
PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
4 ILE A  36
PHE A  54
LEU A  57
ASP A  93
None
0.70A 1yc2E-3m9vA:
undetectable
1yc2E-3m9vA:
20.47
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.
3n29 CARBOXYNORSPERMIDINE
DECARBOXYLASE


(Campylobacter
jejuni)
PF00278
(Orn_DAP_Arg_deC)
4 ILE A 340
LEU A  18
ASN A 244
ILE A  12
None
0.96A 1yc2E-3n29A:
undetectable
1yc2E-3n29A:
22.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p4x REVERSE GYRASE
HELICASE-LIKE DOMAIN


(Thermotoga
maritima)
PF00270
(DEAD)
PF00271
(Helicase_C)
4 ILE A 229
PHE A 270
LEU A 274
ASP A 216
None
0.98A 1yc2E-3p4xA:
undetectable
1yc2E-3p4xA:
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.
3pkj NAD-DEPENDENT
DEACETYLASE
SIRTUIN-6


(Homo sapiens)
PF02146
(SIR2)
4 ILE A  59
PHE A  62
ASN A 112
ASP A 114
None
A2N  A1000 (-3.8A)
None
None
0.38A 1yc2E-3pkjA:
24.2
1yc2E-3pkjA:
26.50
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.
3qqc DNA-DIRECTED RNA
POLYMERASE SUBUNIT
B, DNA-DIRECTED RNA
POLYMERASE SUBUNIT
A', DNA-DIRECTED RNA
POLYMERASE SUBUNIT
A''


(Pyrococcus
furiosus)
PF04560
(RNA_pol_Rpb2_7)
PF04997
(RNA_pol_Rpb1_1)
4 PHE A 415
LEU A 414
ASN A 345
ILE A 344
None
0.97A 1yc2E-3qqcA:
undetectable
1yc2E-3qqcA:
22.30
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.
3vol AEROTAXIS TRANSDUCER
AER2


(Pseudomonas
aeruginosa)
PF13188
(PAS_8)
4 ILE A 230
LEU A 244
ASN A 194
ILE A 196
HEM  A 401 (-3.8A)
HEM  A 401 ( 4.9A)
None
None
0.71A 1yc2E-3volA:
undetectable
1yc2E-3volA:
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.
3w1g DNA LIGASE 4

(Homo sapiens)
PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C)
4 ILE A 556
LEU A 518
ILE A 559
ASP A 463
None
0.92A 1yc2E-3w1gA:
undetectable
1yc2E-3w1gA:
18.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zg6 NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-6


(Homo sapiens)
PF02146
(SIR2)
4 ILE A  59
PHE A  62
ASN A 112
ASP A 114
None
APR  A1296 (-3.6A)
None
None
0.28A 1yc2E-3zg6A:
22.5
1yc2E-3zg6A:
30.06
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.
3zw5 GLYOXALASE
DOMAIN-CONTAINING
PROTEIN 5


(Homo sapiens)
PF00903
(Glyoxalase)
4 PHE A  68
ASN A 138
ILE A 140
ASP A 134
None
0.96A 1yc2E-3zw5A:
undetectable
1yc2E-3zw5A:
21.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4bn5 NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-3,
MITOCHONDRIAL


(Homo sapiens)
PF02146
(SIR2)
4 ILE A 154
ASN A 229
ILE A 230
ASP A 231
CNA  A1395 (-3.8A)
CNA  A1395 (-3.7A)
SR7  A1396 (-4.8A)
CNA  A1395 (-3.5A)
0.40A 1yc2E-4bn5A:
20.8
1yc2E-4bn5A:
31.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e3z PUTATIVE
OXIDOREDUCTASE
PROTEIN


(Rhizobium etli)
PF13561
(adh_short_C2)
4 ILE A 243
LEU A 231
ILE A 166
ASP A 167
None
0.94A 1yc2E-4e3zA:
5.4
1yc2E-4e3zA:
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.
4g38 SULFITE REDUCTASE
[NADPH] HEMOPROTEIN
BETA-COMPONENT


(Escherichia
coli)
PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr)
4 ILE A 458
PHE A 450
LEU A 451
ILE A 527
None
0.91A 1yc2E-4g38A:
undetectable
1yc2E-4g38A:
18.85
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.
4gm2 ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT


(Plasmodium
falciparum)
PF00574
(CLP_protease)
4 ILE A 149
LEU A  72
ILE A 116
ASP A 109
None
0.95A 1yc2E-4gm2A:
undetectable
1yc2E-4gm2A:
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.
4gom DNA ADENINE
METHYLASE


(Escherichia
coli)
PF02086
(MethyltransfD12)
4 ILE D  60
ASN D  56
ILE D  55
ASP D  54
None
None
0Y0  D 301 (-3.8A)
0Y0  D 301 (-2.8A)
0.91A 1yc2E-4gomD:
3.6
1yc2E-4gomD:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gq2 NUCLEOPORIN NUP120

(Schizosaccharomyces
pombe)
PF11715
(Nup160)
4 ILE M 548
PHE M 802
LEU M 798
ILE M 692
None
0.80A 1yc2E-4gq2M:
undetectable
1yc2E-4gq2M:
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.
4hi4 AEROTAXIS TRANSDUCER
AER2


(Pseudomonas
aeruginosa)
PF13188
(PAS_8)
4 ILE A 230
LEU A 244
ASN A 194
ILE A 196
HEM  A 301 ( 3.9A)
HEM  A 301 ( 3.9A)
None
None
0.98A 1yc2E-4hi4A:
undetectable
1yc2E-4hi4A:
19.76
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.
4iao NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2


(Saccharomyces
cerevisiae)
PF02146
(SIR2)
PF04574
(DUF592)
5 ILE A 271
PHE A 274
ASN A 345
ILE A 346
ASP A 347
None
APR  A 602 (-3.5A)
None
None
None
0.47A 1yc2E-4iaoA:
26.7
1yc2E-4iaoA:
19.25
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.
4idm DELTA-1-PYRROLINE-5-
CARBOXYLATE
DEHYDROGENASE


(Mycobacterium
tuberculosis)
PF00171
(Aldedh)
4 PHE A 406
ASN A 364
ILE A 359
ASP A 361
None
0.97A 1yc2E-4idmA:
2.4
1yc2E-4idmA:
18.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ig9 NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-1


(Homo sapiens)
PF02146
(SIR2)
4 ILE A 270
ASN A 346
ILE A 347
ASP A 348
None
0.52A 1yc2E-4ig9A:
21.4
1yc2E-4ig9A:
32.16
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.
4kb3 PEROXIDOXIN

(Leishmania
braziliensis)
PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C)
4 PHE A  45
ASN A  59
ILE A  58
ASP A  62
None
0.93A 1yc2E-4kb3A:
2.1
1yc2E-4kb3A:
24.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nbg TERMINAL OXYGENASE
COMPONENT OF
CARBAZOLE


(Janthinobacterium
sp. J3)
PF00355
(Rieske)
PF11723
(Aromatic_hydrox)
4 ILE A 376
LEU A  49
ASN A   3
ASP A  20
None
0.98A 1yc2E-4nbgA:
undetectable
1yc2E-4nbgA:
21.99
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.
4oah MITOCHONDRIAL
DYNAMIC PROTEIN
MID51


(Mus musculus)
PF03281
(Mab-21)
4 ILE A 274
PHE A 312
LEU A 296
ILE A 164
None
0.67A 1yc2E-4oahA:
undetectable
1yc2E-4oahA:
21.88
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.
4p0d TRYPSIN-RESISTANT
SURFACE T6 PROTEIN


(Streptococcus
pyogenes)
PF16569
(GramPos_pilinBB)
4 ILE A 480
PHE A 463
ILE A 380
ASP A 381
None
0.97A 1yc2E-4p0dA:
undetectable
1yc2E-4p0dA:
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.
4q3n MGS-M5

(unidentified)
PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C)
4 ILE A 285
LEU A 288
ASN A 259
ILE A 271
None
0.85A 1yc2E-4q3nA:
4.6
1yc2E-4q3nA:
25.32
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.
4uug AMINE TRANSAMINASE

(Aspergillus
fumigatus)
PF01063
(Aminotran_4)
4 ILE A  78
LEU A  93
ILE A  61
ASP A  59
None
0.93A 1yc2E-4uugA:
undetectable
1yc2E-4uugA:
22.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4y6o NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-2


(Homo sapiens)
PF02146
(SIR2)
4 ILE A  93
ASN A 168
ILE A 169
ASP A 170
None
0.45A 1yc2E-4y6oA:
20.7
1yc2E-4y6oA:
30.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zcf RESTRICTION
ENDONUCLEASE
ECOP15I, RESTRICTION
SUBUNIT


(Escherichia
coli)
PF04851
(ResIII)
4 ILE C  80
PHE C 222
LEU C 101
ASN C  78
None
0.91A 1yc2E-4zcfC:
undetectable
1yc2E-4zcfC:
14.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zzh NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-1


(Homo sapiens)
PF02146
(SIR2)
4 ILE A 270
ASN A 346
ILE A 347
ASP A 348
None
0.49A 1yc2E-4zzhA:
20.4
1yc2E-4zzhA:
27.30
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.
5btr NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-1


(Homo sapiens)
PF02146
(SIR2)
4 ILE A 270
ASN A 346
ILE A 347
ASP A 348
None
0.28A 1yc2E-5btrA:
20.5
1yc2E-5btrA:
24.62
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.
5csc CITRATE SYNTHASE

(Gallus gallus)
PF00285
(Citrate_synt)
4 ILE B 200
LEU B 120
ASN B 192
ILE B 189
None
0.94A 1yc2E-5cscB:
undetectable
1yc2E-5cscB:
20.28
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.
5d8m METAGENOMIC CARBOXYL
ESTERASE MGS0156


(uncultured
organism)
no annotation 4 LEU A 180
ASN A 209
ILE A 213
ASP A 237
None
0.90A 1yc2E-5d8mA:
2.4
1yc2E-5d8mA:
24.57
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.
5da0 SULPHATE TRANSPORTER

(Deinococcus
geothermalis)
PF00916
(Sulfate_transp)
PF01740
(STAS)
4 PHE A 445
LEU A 415
ILE A 438
ASP A 439
None
0.87A 1yc2E-5da0A:
undetectable
1yc2E-5da0A:
19.28
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.
5fyq NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-2


(Homo sapiens)
PF02146
(SIR2)
5 ILE A  93
PHE A  96
ASN A 168
ILE A 169
ASP A 170
None
0.84A 1yc2E-5fyqA:
21.0
1yc2E-5fyqA:
26.99
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.
5gp4 GLUTAMATE
DECARBOXYLASE


(Lactobacillus
brevis)
no annotation 4 LEU C 198
ASN C 269
ILE C 243
ASP C 227
None
0.96A 1yc2E-5gp4C:
2.4
1yc2E-5gp4C:
21.40
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.
5i4k MANGANESE-BINDING
LIPOPROTEIN MNTA


(Listeria
monocytogenes)
PF01297
(ZnuA)
4 LEU A 184
ASN A  48
ILE A  45
ASP A  44
None
0.98A 1yc2E-5i4kA:
undetectable
1yc2E-5i4kA:
23.97
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.
5ldn HEXON PROTEIN,HEXON
CAPSID


(Human
mastadenovirus
C)
PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C)
4 LEU A 371
ASN A 331
ILE A 333
ASP A 330
None
0.96A 1yc2E-5ldnA:
undetectable
1yc2E-5ldnA:
12.51
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.
5mkf POLYCYSTIN-2

(Homo sapiens)
PF08016
(PKD_channel)
4 ILE A 639
PHE A 626
ASN A 645
ILE A 649
None
0.97A 1yc2E-5mkfA:
undetectable
1yc2E-5mkfA:
14.67
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.
5mmd METALLO-BETA-LACTAMA
SE 1


(Acinetobacter
baumannii)
PF00753
(Lactamase_B)
4 ILE E 216
PHE E 186
LEU E 187
ASP E  49
None
0.95A 1yc2E-5mmdE:
undetectable
1yc2E-5mmdE:
22.50
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.
5njf METALLOPROTEASE TLDD

(Escherichia
coli)
PF01523
(PmbA_TldD)
4 PHE A  40
LEU A 167
ILE A  24
ASP A  20
None
0.92A 1yc2E-5njfA:
undetectable
1yc2E-5njfA:
19.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ol0 PUTATIVE SILENT
INFORMATION
REGULATOR 2,PUTATIVE
SILENT INFORMATION
REGULATOR 2


(Leishmania
infantum)
no annotation 4 ILE A  48
ASN A 125
ILE A 126
ASP A 127
None
0.21A 1yc2E-5ol0A:
21.1
1yc2E-5ol0A:
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.
5ol0 PUTATIVE SILENT
INFORMATION
REGULATOR 2,PUTATIVE
SILENT INFORMATION
REGULATOR 2


(Leishmania
infantum)
no annotation 4 ILE A  48
PHE A  51
ILE A 126
ASP A 127
None
0.88A 1yc2E-5ol0A:
21.1
1yc2E-5ol0A:
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.
5txf PHOSPHATIDYLCHOLINE-
STEROL
ACYLTRANSFERASE


(Homo sapiens)
no annotation 5 ILE A 231
PHE A  67
LEU A  64
ASN A 228
ILE A 245
None
1.37A 1yc2E-5txfA:
2.7
1yc2E-5txfA:
19.32
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.
5u84 ACID CERAMIDASE

(Balaenoptera
acutorostrata)
no annotation 4 PHE A 108
LEU A 105
ASN A 134
ILE A 135
None
None
None
I3C  A 412 (-4.3A)
0.90A 1yc2E-5u84A:
undetectable
1yc2E-5u84A:
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.
5xyv RHINO

(Drosophila
melanogaster)
no annotation 4 ILE A 367
PHE A 409
LEU A 412
ILE A 394
None
0.91A 1yc2E-5xyvA:
undetectable
1yc2E-5xyvA:
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.
6by9 HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1


(Homo sapiens)
no annotation 4 ILE A 878
LEU A 925
ASN A 907
ASP A 903
None
0.85A 1yc2E-6by9A:
undetectable
1yc2E-6by9A:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6enx NAD-DEPENDENT
PROTEIN DEACYLASE
SIRTUIN-5,
MITOCHONDRIAL


(Danio rerio)
no annotation 4 PHE A  66
ASN A 137
ILE A 138
ASP A 139
BJW  A 303 (-3.6A)
None
BJW  A 303 (-3.9A)
None
0.35A 1yc2E-6enxA:
24.6
1yc2E-6enxA:
40.29
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.
6flk CEP120

(Homo sapiens)
no annotation 4 ILE A 475
LEU A 505
ASN A 473
ILE A 472
None
0.92A 1yc2E-6flkA:
undetectable
1yc2E-6flkA:
undetectable