SIMILAR PATTERNS OF AMINO ACIDS FOR 4LNW_A_T3A501_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.
1aow ANNEXIN IV

(Bos taurus) 		PF00191
(Annexin) 		3 ILE A 123
MET A  98
ARG A  95
 None
 0.92A 4lnwA-1aowA:
0.0		 4lnwA-1aowA:
23.71
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.
1d8k GENERAL
TRANSCRIPTION FACTOR
TFIIE-BETA

(Homo sapiens) 		PF02186
(TFIIE_beta) 		3 ILE A  68
MET A  20
ARG A  23
 None
 0.89A 4lnwA-1d8kA:
undetectable		 4lnwA-1d8kA:
17.13
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.
1dpp DIPEPTIDE BINDING
PROTEIN

(Escherichia
coli) 		PF00496
(SBP_bac_5) 		3 ILE A 475
MET A 351
ARG A 362
 None
 0.79A 4lnwA-1dppA:
0.0		 4lnwA-1dppA:
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.
1kyh HYPOTHETICAL 29.9
KDA PROTEIN IN
SIGY-CYDD INTERGENIC
REGION

(Bacillus
subtilis) 		PF01256
(Carb_kinase) 		3 ILE A  70
MET A  51
ARG A  52
 None
 0.86A 4lnwA-1kyhA:
0.0		 4lnwA-1kyhA:
21.71
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.
1lnl HEMOCYANIN

(Rapana venosa) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		3 ILE A 299
MET A 290
ARG A 294
 None
 0.81A 4lnwA-1lnlA:
0.0		 4lnwA-1lnlA:
21.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nav HORMONE RECEPTOR
ALPHA 1, THRA1

(Homo sapiens) 		PF00104
(Hormone_recep) 		3 ILE A 221
MET A 259
ARG A 262
 None
IH5  A 600 (-4.7A)
None
 0.29A 4lnwA-1navA:
37.5		 4lnwA-1navA:
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.
1pto PERTUSSIS TOXIN

(Bordetella
pertussis) 		PF02918
(Pertussis_S2S3)
PF03440
(APT) 		3 ILE B 189
MET B 145
ARG B 148
 None
 0.83A 4lnwA-1ptoB:
undetectable		 4lnwA-1ptoB:
18.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q4x THYROID HORMONE
RECEPTOR BETA-1

(Homo sapiens) 		PF00104
(Hormone_recep) 		3 ILE A 275
MET A 313
ARG A 316
 None
G24  A 462 ( 4.6A)
None
 0.39A 4lnwA-1q4xA:
36.7		 4lnwA-1q4xA:
81.44
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.
1r0o ECDYSONE RECEPTOR
ULTRASPIRACLE
PROTEIN

(Drosophila
melanogaster) 		PF00105
(zf-C4) 		3 ILE A  50
MET B  53
ARG B  57
 None
 0.78A 4lnwA-1r0oA:
undetectable		 4lnwA-1r0oA:
15.47
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.
1t9k PROBABLE
METHYLTHIORIBOSE-1-P
HOSPHATE ISOMERASE

(Thermotoga
maritima) 		PF01008
(IF-2B) 		3 ILE A 117
MET A 101
ARG A 100
 None
 0.93A 4lnwA-1t9kA:
0.0		 4lnwA-1t9kA:
23.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ue8 367AA LONG
HYPOTHETICAL
CYTOCHROME P450

(Sulfurisphaera
tokodaii) 		PF00067
(p450) 		3 ILE A 349
MET A 255
ARG A 256
 None
 0.82A 4lnwA-1ue8A:
undetectable		 4lnwA-1ue8A:
22.25
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.
1vh0 HYPOTHETICAL UPF0247
PROTEIN
SAV0024/SA0023

(Staphylococcus
aureus) 		PF02590
(SPOUT_MTase) 		3 ILE A   3
MET A 152
ARG A 153
 None
 0.92A 4lnwA-1vh0A:
undetectable		 4lnwA-1vh0A:
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.
1wru 43 KDA TAIL PROTEIN

(Escherichia
virus Mu) 		PF05954
(Phage_GPD) 		3 ILE A  58
MET A 293
ARG A 286
 None
 0.92A 4lnwA-1wruA:
undetectable		 4lnwA-1wruA:
19.14
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.
1y1p ALDEHYDE REDUCTASE
II

(Sporidiobolus
salmonicolor) 		PF01370
(Epimerase) 		3 ILE A  91
MET A  72
ARG A  44
 NMN  A1001 (-4.9A)
AMP  A1002 (-3.5A)
AMP  A1002 ( 3.6A)
 0.86A 4lnwA-1y1pA:
undetectable		 4lnwA-1y1pA:
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.
1yb0 PROPHAGE LAMBDABA02,
N-ACETYLMURAMOYL-L-A
LANINE AMIDASE,
FAMILY 2

(Bacillus
anthracis) 		PF01510
(Amidase_2) 		3 ILE A 151
MET A 141
ARG A 146
 None
 0.85A 4lnwA-1yb0A:
undetectable		 4lnwA-1yb0A:
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.
1ytk NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE FROM
THERMOPLASMA
ACIDOPHILUM

(Thermoplasma
acidophilum) 		PF01729
(QRPTase_C) 		3 ILE A 295
MET A 150
ARG A 153
 None
 0.70A 4lnwA-1ytkA:
undetectable		 4lnwA-1ytkA:
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.
2b5m DAMAGE-SPECIFIC DNA
BINDING PROTEIN 1

(Homo sapiens) 		PF03178
(CPSF_A)
PF10433
(MMS1_N) 		3 ILE A1100
MET A1054
ARG A1057
 None
 0.82A 4lnwA-2b5mA:
undetectable		 4lnwA-2b5mA:
13.32
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.
2du3 O-PHOSPHOSERYL-TRNA
SYNTHETASE

(Archaeoglobus
fulgidus) 		PF01409
(tRNA-synt_2d) 		3 ILE A 380
MET A 408
ARG A 410
 None
 0.94A 4lnwA-2du3A:
undetectable		 4lnwA-2du3A:
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.
2fli RIBULOSE-PHOSPHATE
3-EPIMERASE

(Streptococcus
pyogenes) 		PF00834
(Ribul_P_3_epim) 		3 ILE A  37
MET A  56
ARG A  57
 None
 0.86A 4lnwA-2fliA:
undetectable		 4lnwA-2fliA:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fno AGR_PAT_752P

(Agrobacterium
fabrum) 		no annotation 3 ILE A 171
MET A  74
ARG A  18
 None
 0.64A 4lnwA-2fnoA:
undetectable		 4lnwA-2fnoA:
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.
2h12 CITRATE SYNTHASE

(Acetobacter
aceti) 		PF00285
(Citrate_synt) 		3 ILE A 292
MET A 282
ARG A 285
 None
 0.92A 4lnwA-2h12A:
undetectable		 4lnwA-2h12A:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ivx CYCLIN-T2

(Homo sapiens) 		PF00134
(Cyclin_N) 		3 ILE A 104
MET A  47
ARG A  50
 None
 0.79A 4lnwA-2ivxA:
undetectable		 4lnwA-2ivxA:
19.29
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.
2ji9 OXALYL-COA
DECARBOXYLASE

(Oxalobacter
formigenes) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		3 ILE A  69
MET A 249
ARG A 419
 None
 0.93A 4lnwA-2ji9A:
undetectable		 4lnwA-2ji9A:
18.58
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.
2p1g PUTATIVE XYLANASE

(Bacteroides
fragilis) 		PF07313
(DUF1460) 		3 ILE A 195
MET A 241
ARG A 245
 None
 0.91A 4lnwA-2p1gA:
undetectable		 4lnwA-2p1gA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pk2 CYCLIN-T1, PROTEIN
TAT

(Equine
infectious
anemia virus;
Homo sapiens) 		PF00134
(Cyclin_N) 		3 ILE A 105
MET A  48
ARG A  51
 ILE  A 105 ( 0.7A)
MET  A  48 ( 0.0A)
ARG  A  51 ( 0.6A)
 0.90A 4lnwA-2pk2A:
undetectable		 4lnwA-2pk2A:
19.95
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.
2r3z SMALL-INDUCIBLE
CYTOKINE B10

(Mus musculus) 		PF00048
(IL8) 		3 ILE A  61
MET A  21
ARG A  20
 None
 0.88A 4lnwA-2r3zA:
undetectable		 4lnwA-2r3zA:
18.09
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.
2rgw ASPARTATE
CARBAMOYLTRANSFERASE

(Methanocaldococcus
jannaschii) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		3 ILE A  18
MET A 143
ARG A 144
 None
 0.94A 4lnwA-2rgwA:
undetectable		 4lnwA-2rgwA:
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.
2riu 3,4-DIHYDROXY-2-BUTA
NONE 4-PHOSPHATE
SYNTHASE

(Candida
albicans) 		PF00926
(DHBP_synthase) 		3 ILE A 182
MET A 176
ARG A 169
 None
 0.89A 4lnwA-2riuA:
undetectable		 4lnwA-2riuA:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vli ANTIBIOTIC
RESISTANCE PROTEIN

(Deinococcus
radiodurans) 		no annotation 3 ILE A  86
MET A  96
ARG A  93
 None
 0.88A 4lnwA-2vliA:
undetectable		 4lnwA-2vliA:
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.
2wp9 SUCCINATE
DEHYDROGENASE
IRON-SULFUR SUBUNIT

(Escherichia
coli) 		PF13085
(Fer2_3)
PF13534
(Fer4_17) 		3 ILE B  40
MET B  33
ARG B  31
 None
 0.78A 4lnwA-2wp9B:
undetectable		 4lnwA-2wp9B:
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.
2x7j 2-SUCCINYL-5-ENOLPYR
UVYL-6-HYDROXY-3-CYC
LOHEXENE
-1-CARBOXYLATE
SYNTHASE

(Bacillus
subtilis) 		PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
PF16582
(TPP_enzyme_M_2) 		3 ILE A 148
MET A 189
ARG A 190
 None
 0.66A 4lnwA-2x7jA:
undetectable		 4lnwA-2x7jA:
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.
2xpp IWS1

(Encephalitozoon
cuniculi) 		PF08711
(Med26) 		3 ILE A 136
MET A  70
ARG A  69
 None
 0.86A 4lnwA-2xppA:
undetectable		 4lnwA-2xppA:
20.22
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.
2zj8 PUTATIVE SKI2-TYPE
HELICASE

(Pyrococcus
furiosus) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF14520
(HHH_5) 		3 ILE A 342
MET A 365
ARG A 368
 None
 0.94A 4lnwA-2zj8A:
undetectable		 4lnwA-2zj8A:
17.54
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.
3cjm PUTATIVE
BETA-LACTAMASE

(Enterococcus
faecalis) 		PF13354
(Beta-lactamase2) 		3 ILE A  85
MET A 245
ARG A 244
 None
None
EDO  A   6 ( 4.5A)
 0.87A 4lnwA-3cjmA:
undetectable		 4lnwA-3cjmA:
21.60
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.
3fef PUTATIVE GLUCOSIDASE
LPLD,
ALPHA-GALACTURONIDAS
E

(Bacillus
subtilis) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		3 ILE A 222
MET A 186
ARG A 190
 None
 0.94A 4lnwA-3fefA:
undetectable		 4lnwA-3fefA:
21.49
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.
3fjo NADPH-CYTOCHROME
P450 REDUCTASE

(Homo sapiens;
Saccharomyces
cerevisiae) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		3 ILE A 134
MET A 149
ARG A 178
 None
 0.87A 4lnwA-3fjoA:
undetectable		 4lnwA-3fjoA:
17.98
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.
3g5i PYRIMIDINE-SPECIFIC
RIBONUCLEOSIDE
HYDROLASE RIHA

(Escherichia
coli) 		PF01156
(IU_nuc_hydro) 		3 ILE A 176
MET A  72
ARG A  73
 None
 0.80A 4lnwA-3g5iA:
undetectable		 4lnwA-3g5iA:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4

(Thermus
thermophilus) 		PF00346
(Complex1_49kDa) 		3 ILE 4  79
MET 4  70
ARG 4  73
 None
 0.91A 4lnwA-3i9v4:
undetectable		 4lnwA-3i9v4:
20.14
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.
3k0x PROTEIN TEN1

(Schizosaccharomyces
pombe) 		PF12658
(Ten1) 		3 ILE A  86
MET A  94
ARG A  98
 None
 0.70A 4lnwA-3k0xA:
undetectable		 4lnwA-3k0xA:
14.39
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.
3m4p ASPARAGINYL-TRNA
SYNTHETASE, PUTATIVE

(Entamoeba
histolytica) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		3 ILE A 341
MET A 352
ARG A 381
 None
None
4AD  A 500 (-3.3A)
 0.87A 4lnwA-3m4pA:
undetectable		 4lnwA-3m4pA:
22.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mdu N-FORMIMINO-L-GLUTAM
ATE IMINOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01979
(Amidohydro_1) 		3 ILE A  97
MET A  88
ARG A  91
 None
 0.84A 4lnwA-3mduA:
undetectable		 4lnwA-3mduA:
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.
3nad FERULATE
DECARBOXYLASE

(Bacillus
pumilus) 		PF05870
(PA_decarbox) 		3 ILE A  10
MET A  81
ARG A  80
 None
 0.94A 4lnwA-3nadA:
undetectable		 4lnwA-3nadA:
20.52
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.
3ox5 CALCIUM-BINDING
PROTEIN 1

(Homo sapiens) 		PF13499
(EF-hand_7) 		3 ILE A  42
MET A  51
ARG A  52
 None
 0.92A 4lnwA-3ox5A:
2.1		 4lnwA-3ox5A:
23.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s4l CAS3 METAL DEPENDENT
PHOSPHOHYDROLASE

(Methanocaldococcus
jannaschii) 		no annotation 3 ILE A 115
MET A 191
ARG A 194
 None
 0.84A 4lnwA-3s4lA:
undetectable		 4lnwA-3s4lA:
23.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3se7 VANA

(-) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		3 ILE A 212
MET A 318
ARG A 317
 None
 0.75A 4lnwA-3se7A:
undetectable		 4lnwA-3se7A:
23.14
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.
3sth GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Toxoplasma
gondii) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		3 ILE A 119
MET A 133
ARG A 326
 None
 0.91A 4lnwA-3sthA:
undetectable		 4lnwA-3sthA:
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.
3tni CYCLIN-T1

(Homo sapiens) 		PF00134
(Cyclin_N) 		3 ILE B 105
MET B  48
ARG B  51
 None
 0.83A 4lnwA-3tniB:
undetectable		 4lnwA-3tniB:
19.93
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.
3tqp ENOLASE

(Coxiella
burnetii) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		3 ILE A 284
MET A 268
ARG A 271
 None
 0.93A 4lnwA-3tqpA:
undetectable		 4lnwA-3tqpA:
20.87
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.
3u2k DNA GYRASE SUBUNIT B

(Staphylococcus
aureus) 		PF02518
(HATPase_c) 		3 ILE A 102
MET A  94
ARG A  96
 None
 0.91A 4lnwA-3u2kA:
undetectable		 4lnwA-3u2kA:
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.
3vil BETA-GLUCOSIDASE

(Neotermes
koshunensis) 		PF00232
(Glyco_hydro_1) 		3 ILE A 140
MET A 487
ARG A 490
 None
 0.89A 4lnwA-3vilA:
undetectable		 4lnwA-3vilA:
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.
4amq L544

(Acanthamoeba
polyphaga
mimivirus) 		no annotation 3 ILE A 289
MET A   1
ARG A   0
 None
 0.82A 4lnwA-4amqA:
undetectable		 4lnwA-4amqA:
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.
4ast ALDO-KETO REDUCTASE
AKR14A1

(Escherichia
coli) 		PF00248
(Aldo_ket_red) 		3 ILE A 332
MET A 273
ARG A 277
 None
 0.94A 4lnwA-4astA:
undetectable		 4lnwA-4astA:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bxo FANCONI ANEMIA GROUP
M PROTEIN

(Homo sapiens) 		PF02732
(ERCC4) 		3 ILE A1930
MET A1861
ARG A1860
 None
 0.82A 4lnwA-4bxoA:
undetectable		 4lnwA-4bxoA:
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.
4dpp DIHYDRODIPICOLINATE
SYNTHASE 2,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00701
(DHDPS) 		3 ILE A 261
MET A 276
ARG A  67
 None
 0.75A 4lnwA-4dppA:
undetectable		 4lnwA-4dppA:
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.
4g1b FLAVOHEMOGLOBIN

(Saccharomyces
cerevisiae) 		PF00042
(Globin)
PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		3 ILE A  81
MET A 140
ARG A  86
 HEM  A 401 (-4.1A)
None
None
 0.91A 4lnwA-4g1bA:
undetectable		 4lnwA-4g1bA:
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.
4g8k 2-5A-DEPENDENT
RIBONUCLEASE

(Homo sapiens) 		PF12796
(Ank_2)
PF13857
(Ank_5) 		3 ILE A  30
MET A  69
ARG A  71
 None
 0.94A 4lnwA-4g8kA:
undetectable		 4lnwA-4g8kA:
24.01
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.
4gkl ALPHA-AMYLASE

(Thermotoga
neapolitana) 		PF00128
(Alpha-amylase) 		3 ILE A 274
MET A  37
ARG A 320
 None
 0.82A 4lnwA-4gklA:
undetectable		 4lnwA-4gklA:
19.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gkl ALPHA-AMYLASE

(Thermotoga
neapolitana) 		PF00128
(Alpha-amylase) 		3 ILE A 315
MET A  37
ARG A 320
 None
 0.93A 4lnwA-4gklA:
undetectable		 4lnwA-4gklA:
19.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4had PROBABLE
OXIDOREDUCTASE
PROTEIN

(Rhizobium etli) 		PF01408
(GFO_IDH_MocA) 		3 ILE A  21
MET A  43
ARG A  46
 None
 0.94A 4lnwA-4hadA:
undetectable		 4lnwA-4hadA:
22.89
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.
4hzu ENERGY-COUPLING
FACTOR TRANSPORTER
ATP-BINDING PROTEIN
ECFA 2

(Lactobacillus
brevis) 		PF00005
(ABC_tran) 		3 ILE A 154
MET A 179
ARG A 148
 None
 0.95A 4lnwA-4hzuA:
undetectable		 4lnwA-4hzuA:
23.10
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.
4jeu SYNTAXIN-1A

(Rattus
norvegicus) 		PF00804
(Syntaxin) 		3 ILE B  44
MET B 219
ARG B  90
 None
 0.81A 4lnwA-4jeuB:
undetectable		 4lnwA-4jeuB:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lwo ARGININE
N-METHYLTRANSFERASE,
PUTATIVE

(Trypanosoma
brucei) 		no annotation 3 ILE B  83
MET B 153
ARG B 359
 None
 0.78A 4lnwA-4lwoB:
undetectable		 4lnwA-4lwoB:
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.
4m6w FANCONI ANEMIA GROUP
M PROTEIN

(Homo sapiens) 		PF02732
(ERCC4) 		3 ILE A1930
MET A1861
ARG A1860
 None
None
SO4  A2102 ( 3.7A)
 0.72A 4lnwA-4m6wA:
undetectable		 4lnwA-4m6wA:
23.59
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.
4m8r HYPOTHETICAL PROTEIN

(Bacteroides
caccae) 		PF16023
(DUF4784) 		3 ILE A  54
MET A 102
ARG A 101
 None
 0.95A 4lnwA-4m8rA:
undetectable		 4lnwA-4m8rA:
19.81
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.
4muo UNCHARACTERIZED
PROTEIN YBIB

(Escherichia
coli) 		PF02885
(Glycos_trans_3N) 		3 ILE A  47
MET A 171
ARG A 174
 None
 0.83A 4lnwA-4muoA:
undetectable		 4lnwA-4muoA:
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.
4o59 GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Bos taurus) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		3 ILE O 117
MET O 130
ARG O 320
 None
 0.87A 4lnwA-4o59O:
undetectable		 4lnwA-4o59O:
19.49
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.
4om8 3-HYDROXYBUTYRYL-COA
DEHYDROGENASE

(Mesorhizobium
japonicum) 		PF00725
(3HCDH)
PF02737
(3HCDH_N) 		3 ILE A  84
MET A 133
ARG A 132
 None
 0.87A 4lnwA-4om8A:
undetectable		 4lnwA-4om8A:
23.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4otp SERINE/THREONINE-PRO
TEIN KINASE RIO1

(Homo sapiens) 		PF01163
(RIO1) 		3 ILE A 268
MET A 173
ARG A 176
 None
 0.88A 4lnwA-4otpA:
undetectable		 4lnwA-4otpA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ox2 PHOSPHOENOLPYRUVATE
CARBOXYKINASE,
CYTOSOLIC [GTP]

(Rattus
norvegicus) 		PF00821
(PEPCK_C)
PF17297
(PEPCK_N) 		3 ILE A 428
MET A 500
ARG A 503
 None
 0.95A 4lnwA-4ox2A:
undetectable		 4lnwA-4ox2A:
18.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ozt ECDYSONE RECEPTOR

(Pediculus
humanus) 		PF00104
(Hormone_recep) 		3 ILE E 331
MET E 372
ARG E 375
 P1A  E 601 (-4.4A)
P1A  E 601 (-4.0A)
P1A  E 601 (-3.9A)
 0.94A 4lnwA-4oztE:
25.3		 4lnwA-4oztE:
33.58
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.
4p7h MYOSIN-7,GREEN
FLUORESCENT PROTEIN

(Aequorea
victoria;
Homo sapiens) 		PF00063
(Myosin_head)
PF01353
(GFP)
PF02736
(Myosin_N) 		3 ILE A 939
MET A 865
ARG A 867
 None
 0.91A 4lnwA-4p7hA:
undetectable		 4lnwA-4p7hA:
14.15
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.
4r29 UNCHARACTERIZED
PROTEIN

(Escherichia
coli) 		no annotation 3 ILE A 165
MET A 109
ARG A 160
 None
 0.95A 4lnwA-4r29A:
undetectable		 4lnwA-4r29A:
22.74
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.
4wny UNIVERSAL STRESS
PROTEIN

(Burkholderia
pseudomallei) 		PF00582
(Usp) 		3 ILE A   5
MET A  75
ARG A  74
 None
 0.87A 4lnwA-4wnyA:
undetectable		 4lnwA-4wnyA:
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.
4xi8 BARTONELLA EFFECTOR
PROTEIN (BEP)
SUBSTRATE OF VIRB
T4SS

(Bartonella
clarridgeiae) 		PF02661
(Fic) 		3 ILE A 140
MET A 181
ARG A 180
 None
 0.85A 4lnwA-4xi8A:
undetectable		 4lnwA-4xi8A:
22.97
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.
4zkj CRISPR-ASSOCIATED
PROTEIN CAS1

(Streptococcus
pyogenes) 		PF01867
(Cas_Cas1) 		3 ILE A 265
MET A 187
ARG A 190
 None
 0.91A 4lnwA-4zkjA:
undetectable		 4lnwA-4zkjA:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zlv ORNITHINE
AMINOTRANSFERASE,
MITOCHONDRIAL,
PUTATIVE

(Toxoplasma
gondii) 		PF00202
(Aminotran_3) 		3 ILE A 398
MET A 408
ARG A 409
 None
 0.80A 4lnwA-4zlvA:
undetectable		 4lnwA-4zlvA:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zm6 N-ACETYL-BETA-D
GLUCOSAMINIDASE

(Rhizomucor
miehei) 		PF00583
(Acetyltransf_1)
PF00933
(Glyco_hydro_3) 		3 ILE A 764
MET A 706
ARG A 705
 None
 0.82A 4lnwA-4zm6A:
undetectable		 4lnwA-4zm6A:
15.71
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.
4zn1 TRANSCRIPTION
ELONGATION FACTOR
SPT5

(Methanocaldococcus
jannaschii) 		PF00467
(KOW)
PF03439
(Spt5-NGN) 		3 ILE A  66
MET A  19
ARG A  22
 None
 0.86A 4lnwA-4zn1A:
undetectable		 4lnwA-4zn1A:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cju ISOBUTYRYL-COA
MUTASE FUSED

(Cupriavidus
metallidurans) 		PF01642
(MM_CoA_mutase)
PF02310
(B12-binding)
PF03308
(ArgK) 		3 ILE A  81
MET A 153
ARG A 156
 None
B12  A1101 ( 3.7A)
None
 0.76A 4lnwA-5cjuA:
undetectable		 4lnwA-5cjuA:
13.31
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.
5crv TYROSINE-PROTEIN
PHOSPHATASE
NON-RECEPTOR TYPE 23

(Homo sapiens) 		PF03097
(BRO1) 		3 ILE A 206
MET A 140
ARG A 134
 None
 0.76A 4lnwA-5crvA:
undetectable		 4lnwA-5crvA:
23.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dzt CYLM

(Enterococcus
faecalis) 		PF05147
(LANC_like)
PF13575
(DUF4135) 		3 ILE A 271
MET A 221
ARG A 224
 None
 0.69A 4lnwA-5dztA:
undetectable		 4lnwA-5dztA:
14.10
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.
5ek8 LIPOXYGENASE

(Cyanothece sp.
PCC 8801) 		PF00305
(Lipoxygenase) 		3 ILE A 394
MET A 176
ARG A 399
 None
 0.92A 4lnwA-5ek8A:
undetectable		 4lnwA-5ek8A:
17.10
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.
5eyk AURORA KINASE B-A

(Xenopus laevis) 		PF00069
(Pkinase) 		3 ILE A 144
MET A 156
ARG A 155
 None
5U5  A 401 (-4.8A)
None
 0.86A 4lnwA-5eykA:
undetectable		 4lnwA-5eykA:
21.36
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.
5g06 EXOSOME COMPLEX
COMPONENT SKI6

(Saccharomyces
cerevisiae) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		3 ILE B 161
MET B 228
ARG B 225
 None
 0.91A 4lnwA-5g06B:
undetectable		 4lnwA-5g06B:
25.34
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.
5hr4 MMEI

(Methylophilus
methylotrophus) 		no annotation 3 ILE C 421
MET C 303
ARG C 308
 None
 0.94A 4lnwA-5hr4C:
undetectable		 4lnwA-5hr4C:
13.38
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.
5in8 ARISTOLOCHENE
SYNTHASE

(Aspergillus
terreus) 		no annotation 3 ILE A 140
MET A 148
ARG A 149
 None
None
GOL  A 401 (-3.1A)
 0.93A 4lnwA-5in8A:
undetectable		 4lnwA-5in8A:
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.
5mea CELL DIVISION CYCLE
PROTEIN CDT1

(Saccharomyces
cerevisiae) 		no annotation 3 ILE A 360
MET A 351
ARG A 353
 None
 0.69A 4lnwA-5meaA:
undetectable		 4lnwA-5meaA:
21.62
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.
5odr METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
A

(Methanothermococcus
thermolithotrophicus) 		PF00374
(NiFeSe_Hases) 		3 ILE F 379
MET F 227
ARG F 294
 None
 0.80A 4lnwA-5odrF:
undetectable		 4lnwA-5odrF:
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.
5ofb MORC FAMILY CW-TYPE
ZINC FINGER PROTEIN
2

(Homo sapiens) 		no annotation 3 ILE B  50
MET B 253
ARG B 254
 None
 0.86A 4lnwA-5ofbB:
undetectable		 4lnwA-5ofbB:
14.98
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.
5ovk 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE FABG

(Mycolicibacterium
smegmatis) 		no annotation 3 ILE A 117
MET A 108
ARG A 112
 None
 0.87A 4lnwA-5ovkA:
undetectable		 4lnwA-5ovkA:
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.
5ui3 DIHYDRODIPICOLINATE
SYNTHASE

(Chlamydomonas
reinhardtii) 		no annotation 3 ILE D 221
MET D 236
ARG D  27
 None
 0.77A 4lnwA-5ui3D:
undetectable		 4lnwA-5ui3D:
15.44
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.
5uwz ALDEHYDE
DECARBONYLASE

(Gloeobacter
violaceus) 		no annotation 3 ILE A 114
MET A 224
ARG A 227
 None
 0.89A 4lnwA-5uwzA:
undetectable		 4lnwA-5uwzA:
17.05
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.
5vwm UDP-3-O-ACYL-N-ACETY
LGLUCOSAMINE
DEACETYLASE

(Pseudomonas
aeruginosa) 		PF03331
(LpxC) 		3 ILE A 114
MET A 297
ARG A 298
 None
 0.82A 4lnwA-5vwmA:
undetectable		 4lnwA-5vwmA:
22.00
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.
5w88 TROPONIN C, TROPONIN
I

(Homo sapiens) 		PF00992
(Troponin)
PF13833
(EF-hand_8) 		3 ILE A  36
MET A  45
ARG A  46
 9XG  A 201 ( 3.3A)
9XG  A 201 (-2.4A)
None
 0.91A 4lnwA-5w88A:
undetectable		 4lnwA-5w88A:
17.43
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.
5w88 TROPONIN C, TROPONIN
I

(Homo sapiens) 		PF00992
(Troponin)
PF13833
(EF-hand_8) 		3 ILE A  61
MET A  45
ARG A  46
 9XG  A 201 ( 4.0A)
9XG  A 201 (-2.4A)
None
 0.79A 4lnwA-5w88A:
undetectable		 4lnwA-5w88A:
17.43
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.
5x09 V-TYPE ATP SYNTHASE
ALPHA CHAIN,V-TYPE
ATP SYNTHASE ALPHA
CHAIN

(Pyrococcus
horikoshii) 		no annotation 3 ILE A  88
MET A 300
ARG A 105
 None
 0.81A 4lnwA-5x09A:
undetectable		 4lnwA-5x09A:
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.
6c7s PUTATIVE RIFAMPIN
MONOOXYGENASE

(Nocardia
farcinica) 		no annotation 3 ILE A 394
MET A 405
ARG A 406
 None
 0.93A 4lnwA-6c7sA:
undetectable		 4lnwA-6c7sA:
15.73
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.
6dfz GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Acropora
millepora) 		no annotation 3 ILE A 118
MET A 131
ARG A 322
 None
 0.88A 4lnwA-6dfzA:
undetectable		 4lnwA-6dfzA:
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.
6fb3 TENEURIN-2

(Gallus gallus) 		no annotation 3 ILE A1943
MET A1953
ARG A1940
 None
None
NAG  A3016 (-3.4A)
 0.90A 4lnwA-6fb3A:
undetectable		 4lnwA-6fb3A:
14.18
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.
6ft5 -

(-) 		no annotation 3 ILE A 170
MET A 179
ARG A 176
 None
 0.80A 4lnwA-6ft5A:
undetectable		 4lnwA-6ft5A:
undetectable