SIMILAR PATTERNS OF AMINO ACIDS FOR 4I00_A_ZMRA509_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.
1ciy CRYIA(A)

(Bacillus
thuringiensis)
PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N)
4 LEU A 263
ARG A 265
ILE A  36
ASN A 419
None
1.32A 4i00A-1ciyA:
undetectable
4i00A-1ciyA:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cp9 PENICILLIN G AMIDASE

(Providencia
rettgeri)
PF01804
(Penicil_amidase)
4 LEU B  18
TRP B  65
ILE B  44
ASN B 535
None
1.44A 4i00A-1cp9B:
undetectable
4i00A-1cp9B:
22.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dy6 CARBAPENEM-HYDROLYSI
NG BETA-LACTAMASE
SME-1


(Serratia
marcescens)
PF13354
(Beta-lactamase2)
4 LEU A 142
ARG A  83
ILE A 155
ASN A 158
None
1.39A 4i00A-1dy6A:
undetectable
4i00A-1dy6A:
20.41
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.
1fyh INTERFERON GAMMA

(Homo sapiens)
PF00714
(IFN-gamma)
4 LEU A  33
ARG A  42
ILE A 244
ASN A  78
None
0.92A 4i00A-1fyhA:
undetectable
4i00A-1fyhA:
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.
1fyh INTERFERON GAMMA

(Homo sapiens)
PF00714
(IFN-gamma)
4 LEU A 233
ARG A 242
ILE A  44
ASN A 278
None
1.20A 4i00A-1fyhA:
undetectable
4i00A-1fyhA:
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.
1g1a DTDP-D-GLUCOSE
4,6-DEHYDRATASE


(Salmonella
enterica)
PF16363
(GDP_Man_Dehyd)
4 LEU A 320
ARG A 241
TRP A 317
ILE A 258
None
1.43A 4i00A-1g1aA:
undetectable
4i00A-1g1aA:
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.
1gqj ALPHA-D-GLUCURONIDAS
E


(Cellvibrio
japonicus)
PF03648
(Glyco_hydro_67N)
PF07477
(Glyco_hydro_67C)
PF07488
(Glyco_hydro_67M)
4 ARG A 165
TRP A 179
ILE A 207
ASN A 197
None
1.25A 4i00A-1gqjA:
undetectable
4i00A-1gqjA:
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.
1ks8 ENDO-B-1,4-GLUCANASE

(Nasutitermes
takasagoensis)
PF00759
(Glyco_hydro_9)
4 LEU A 222
TRP A 221
ILE A  77
ASN A 168
None
1.40A 4i00A-1ks8A:
undetectable
4i00A-1ks8A:
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.
1l5j ACONITATE HYDRATASE
2


(Escherichia
coli)
PF00330
(Aconitase)
PF06434
(Aconitase_2_N)
PF11791
(Aconitase_B_N)
4 LEU A 488
TRP A 651
ILE A 617
ASN A 845
None
1.41A 4i00A-1l5jA:
undetectable
4i00A-1l5jA:
16.65
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.
1l5j ACONITATE HYDRATASE
2


(Escherichia
coli)
PF00330
(Aconitase)
PF06434
(Aconitase_2_N)
PF11791
(Aconitase_B_N)
4 LEU A 488
TRP A 651
ILE A 617
ASN A 847
None
1.33A 4i00A-1l5jA:
undetectable
4i00A-1l5jA:
16.65
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.
1m4x PBCV-1 VIRUS CAPSID

(Paramecium
bursaria
Chlorella virus
1)
PF04451
(Capsid_NCLDV)
PF16903
(Capsid_N)
4 LEU A 414
TRP A 264
ILE A 318
ASN A 376
None
1.49A 4i00A-1m4xA:
undetectable
4i00A-1m4xA:
19.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nmb N9 NEURAMINIDASE

(Influenza A
virus)
PF00064
(Neur)
5 LEU N 134
ARG N 156
TRP N 178
ILE N 222
ASN N 294
None
0.88A 4i00A-1nmbN:
62.7
4i00A-1nmbN:
40.97
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.
1o7d LYSOSOMAL
ALPHA-MANNOSIDASE


(Bos taurus)
PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
4 LEU D 865
ARG E 901
ILE A 169
ASN A 158
None
1.34A 4i00A-1o7dD:
undetectable
4i00A-1o7dD:
20.72
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.
1paq TRANSLATION
INITIATION FACTOR
EIF-2B EPSILON
SUBUNIT


(Saccharomyces
cerevisiae)
PF02020
(W2)
4 LEU A 567
ARG A 624
ILE A 667
ASN A 616
None
0.98A 4i00A-1paqA:
undetectable
4i00A-1paqA:
18.37
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.
1paq TRANSLATION
INITIATION FACTOR
EIF-2B EPSILON
SUBUNIT


(Saccharomyces
cerevisiae)
PF02020
(W2)
4 LEU A 692
TRP A 696
ILE A 673
ASN A 637
None
1.47A 4i00A-1paqA:
undetectable
4i00A-1paqA:
18.37
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.
1pxz MAJOR POLLEN
ALLERGEN JUN A 1


(Juniperus ashei)
PF00544
(Pec_lyase_C)
4 ARG A  18
TRP A  69
ILE A 117
ASN A 190
None
1.33A 4i00A-1pxzA:
undetectable
4i00A-1pxzA:
23.63
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.
1rzo AGGLUTININ

(Ricinus
communis)
PF00652
(Ricin_B_lectin)
4 LEU B2161
TRP B2173
ILE B2181
ASN B2226
None
1.49A 4i00A-1rzoB:
undetectable
4i00A-1rzoB:
19.54
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.
1s5j DNA POLYMERASE I

(Sulfolobus
solfataricus)
PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1)
4 LEU A 329
ARG A 325
ILE A 253
ASN A 272
None
1.30A 4i00A-1s5jA:
undetectable
4i00A-1s5jA:
17.35
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.
1tlf LAC REPRESSOR

(Escherichia
coli)
PF13377
(Peripla_BP_3)
4 LEU A  90
ARG A  86
ILE A 123
ASN A 157
None
1.46A 4i00A-1tlfA:
undetectable
4i00A-1tlfA:
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.
1tua HYPOTHETICAL PROTEIN
APE0754


(Aeropyrum
pernix)
PF00013
(KH_1)
4 LEU A  82
ARG A  31
ILE A  69
ASN A 131
None
1.20A 4i00A-1tuaA:
undetectable
4i00A-1tuaA:
19.72
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.
1ut9 CELLULOSE
1,4-BETA-CELLOBIOSID
ASE


(Ruminiclostridium
thermocellum)
PF00759
(Glyco_hydro_9)
PF02927
(CelD_N)
4 ARG A 340
TRP A 741
ILE A 796
ASN A 799
None
1.32A 4i00A-1ut9A:
undetectable
4i00A-1ut9A:
19.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1v0z NEURAMINIDASE

(Influenza A
virus)
PF00064
(Neur)
5 LEU A 140
ARG A 162
TRP A 185
ILE A 229
ASN A 301
None
0.87A 4i00A-1v0zA:
63.7
4i00A-1v0zA:
50.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vcj NEURAMINIDASE

(Influenza B
virus)
PF00064
(Neur)
5 LEU A 132
ARG A 154
TRP A 177
ILE A 221
ASN A 294
None
IBA  A   1 (-4.1A)
None
IBA  A   1 ( 4.3A)
IBA  A   1 ( 3.9A)
0.95A 4i00A-1vcjA:
52.3
4i00A-1vcjA:
34.41
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.
1wt9 ANTICOAGULANT
PROTEIN-B


(Deinagkistrodon
acutus)
PF00059
(Lectin_C)
4 LEU B  39
TRP B  65
ILE B  63
ASN B 103
None
1.48A 4i00A-1wt9B:
undetectable
4i00A-1wt9B:
15.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xog NEURAMINIDASE

(Influenza A
virus)
PF00064
(Neur)
5 LEU A 135
ARG A 157
TRP A 180
ILE A 224
ASN A 296
None
ABW  A1000 (-4.2A)
None
ABW  A1000 ( 4.7A)
ABW  A1000 ( 4.0A)
0.96A 4i00A-1xogA:
62.9
4i00A-1xogA:
47.97
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.
1yts YERSINIA PROTEIN
TYROSINE PHOSPHATASE


(Yersinia
enterocolitica)
PF00102
(Y_phosphatase)
4 LEU A 204
ARG A 437
ILE A 249
ASN A 424
None
1.28A 4i00A-1ytsA:
undetectable
4i00A-1ytsA:
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.
2ckh SENTRIN-SPECIFIC
PROTEASE 1


(Homo sapiens)
PF02902
(Peptidase_C48)
4 LEU A 643
ARG A 632
ILE A 637
ASN A 476
None
1.08A 4i00A-2ckhA:
undetectable
4i00A-2ckhA:
18.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2htv NEURAMINIDASE

(Influenza A
virus)
PF00064
(Neur)
4 LEU A 134
ARG A 156
TRP A 178
ILE A 222
None
0.63A 4i00A-2htvA:
62.7
4i00A-2htvA:
46.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2htv NEURAMINIDASE

(Influenza A
virus)
PF00064
(Neur)
4 LEU A 134
TRP A 178
ILE A 222
ASN A 294
None
1.08A 4i00A-2htvA:
62.7
4i00A-2htvA:
46.08
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.
2hy5 DSRH
PUTATIVE
SULFURTRANSFERASE
DSRE


(Allochromatium
vinosum)
PF02635
(DrsE)
PF04077
(DsrH)
4 ARG A  63
TRP A  64
ILE A   7
ASN C 408
None
1.25A 4i00A-2hy5A:
undetectable
4i00A-2hy5A:
16.25
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.
2jar 5'(3')-DEOXYRIBONUCL
EOTIDASE


(Mus musculus)
PF06941
(NT5C)
4 LEU A 143
TRP A 160
ILE A 151
ASN A 170
None
1.43A 4i00A-2jarA:
undetectable
4i00A-2jarA:
16.67
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.
2jau 5'(3')-DEOXYRIBONUCL
EOTIDASE


(Homo sapiens)
PF06941
(NT5C)
4 LEU A 172
TRP A 189
ILE A 180
ASN A 199
None
1.41A 4i00A-2jauA:
undetectable
4i00A-2jauA:
18.32
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.
2xal INOSITOL-PENTAKISPHO
SPHATE 2-KINASE


(Arabidopsis
thaliana)
PF06090
(Ins_P5_2-kin)
4 LEU A 144
ARG A  40
ILE A  93
ASN A  72
None
ADP  A 600 (-3.7A)
None
None
1.46A 4i00A-2xalA:
undetectable
4i00A-2xalA:
20.65
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.
2xc8 GENE 22 PRODUCT

(Bacillus phage
SPP1)
no annotation 4 LEU A  31
TRP A  73
ILE A  17
ASN A   6
None
1.42A 4i00A-2xc8A:
undetectable
4i00A-2xc8A:
17.65
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.
3afo NADH KINASE POS5

(Saccharomyces
cerevisiae)
PF01513
(NAD_kinase)
4 LEU A 202
ARG A 204
ILE A 277
ASN A 395
MPD  A2001 ( 4.8A)
MPD  A2001 (-3.4A)
None
None
1.34A 4i00A-3afoA:
undetectable
4i00A-3afoA:
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.
3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT


(Hydrogenovibrio
marinus)
PF00374
(NiFeSe_Hases)
4 LEU A 195
TRP A 131
ILE A 463
ASN A 439
None
1.40A 4i00A-3ayxA:
undetectable
4i00A-3ayxA:
20.72
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.
3buz IOTA TOXIN COMPONENT
IA


(Clostridium
perfringens)
PF03496
(ADPrib_exo_Tox)
4 LEU A 304
TRP A 326
ILE A 331
ASN A 335
None
None
None
TAD  A 500 (-2.8A)
1.35A 4i00A-3buzA:
undetectable
4i00A-3buzA:
21.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ckz NEURAMINIDASE

(Influenza A
virus)
PF00064
(Neur)
4 LEU A 134
ARG A 156
TRP A 178
ILE A 222
None
ZMR  A 469 (-3.4A)
None
None
0.71A 4i00A-3ckzA:
64.4
4i00A-3ckzA:
46.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ckz NEURAMINIDASE

(Influenza A
virus)
PF00064
(Neur)
4 LEU A 134
TRP A 178
ILE A 222
ASN A 294
None
None
None
ZMR  A 469 (-3.9A)
0.95A 4i00A-3ckzA:
64.4
4i00A-3ckzA:
46.70
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.
3fww BIFUNCTIONAL PROTEIN
GLMU


(Yersinia pestis)
PF00132
(Hexapep)
PF12804
(NTP_transf_3)
4 LEU A 186
TRP A 183
ILE A 126
ASN A 169
None
1.41A 4i00A-3fwwA:
undetectable
4i00A-3fwwA:
21.47
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.
3g8y SUSD/RAGB-ASSOCIATED
ESTERASE-LIKE
PROTEIN


(Bacteroides
vulgatus)
PF12715
(Abhydrolase_7)
4 LEU A 257
ARG A 307
ILE A 310
ASN A 318
None
None
EDO  A   9 (-4.6A)
None
1.29A 4i00A-3g8yA:
undetectable
4i00A-3g8yA:
21.78
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.
3ksw STEROL 14-ALPHA
DEMETHYLASE


(Trypanosoma
cruzi)
PF00067
(p450)
4 LEU A 262
ARG A 247
ILE A 239
ASN A 193
None
1.41A 4i00A-3kswA:
undetectable
4i00A-3kswA:
18.62
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.
3ltw ARYLAMINE
N-ACETYLTRANSFERASE
NAT


(Mycobacterium
marinum)
PF00797
(Acetyltransf_2)
4 LEU A  41
ARG A  66
ILE A  36
ASN A  74
None
1.00A 4i00A-3ltwA:
undetectable
4i00A-3ltwA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o0k ALDO/KETO REDUCTASE

(Brucella
abortus)
PF00248
(Aldo_ket_red)
4 LEU A 165
TRP A 140
ILE A 155
ASN A  31
None
1.49A 4i00A-3o0kA:
undetectable
4i00A-3o0kA:
19.90
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.
3of7 REGULATOR OF
CHROMOSOME
CONDENSATION


(Saccharomyces
cerevisiae)
PF00415
(RCC1)
PF13540
(RCC1_2)
4 LEU A 428
ARG A  72
TRP A  51
ASN A 450
None
1.35A 4i00A-3of7A:
7.2
4i00A-3of7A:
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.
3owc PROBABLE
ACETYLTRANSFERASE


(Pseudomonas
aeruginosa)
PF00583
(Acetyltransf_1)
4 LEU A  84
ARG A  66
ILE A  97
ASN A 137
None
None
None
COA  A2598 (-3.3A)
1.47A 4i00A-3owcA:
undetectable
4i00A-3owcA:
17.97
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.
3pdy PLECTIN

(Homo sapiens)
PF00435
(Spectrin)
4 LEU A 555
TRP A 558
ILE A 592
ASN A 633
None
1.42A 4i00A-3pdyA:
undetectable
4i00A-3pdyA:
18.32
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.
3qnm HALOACID
DEHALOGENASE-LIKE
HYDROLASE


(Bacteroides
thetaiotaomicron)
PF13419
(HAD_2)
4 LEU A  10
TRP A  15
ILE A 100
ASN A  70
None
1.49A 4i00A-3qnmA:
undetectable
4i00A-3qnmA:
18.02
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.
3rgw MEMBRANE-BOUND
HYDROGENASE (NIFE)
LARGE SUBUNIT HOXG


(Cupriavidus
necator)
PF00374
(NiFeSe_Hases)
4 LEU L 194
TRP L 130
ILE L 470
ASN L 446
None
1.45A 4i00A-3rgwL:
undetectable
4i00A-3rgwL:
20.75
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.
3t24 PORIN

(Pseudomonas
aeruginosa)
PF03573
(OprD)
4 LEU A 125
ARG A  13
ILE A  58
ASN A 161
None
1.45A 4i00A-3t24A:
undetectable
4i00A-3t24A:
21.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ti8 NEURAMINIDASE

(Influenza A
virus)
PF00064
(Neur)
5 LEU A 134
ARG A 156
TRP A 178
ILE A 222
ASN A 294
None
LNV  A 901 (-4.0A)
None
None
LNV  A 901 (-4.0A)
0.91A 4i00A-3ti8A:
65.2
4i00A-3ti8A:
45.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tia NEURAMINIDASE

(Influenza A
virus)
PF00064
(Neur)
5 LEU A 134
ARG A 156
TRP A 178
ILE A 222
ASN A 294
None
LNV  A 801 (-4.0A)
None
None
LNV  A 801 (-4.0A)
0.87A 4i00A-3tiaA:
65.4
4i00A-3tiaA:
45.57
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.
3umv DEOXYRIBODIPYRIMIDIN
E PHOTO-LYASE


(Oryza sativa)
PF00875
(DNA_photolyase)
4 LEU A 482
TRP A 241
ILE A 426
ASN A 421
None
EDO  A 701 (-4.6A)
None
FAD  A 801 (-3.0A)
1.05A 4i00A-3umvA:
undetectable
4i00A-3umvA:
19.54
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.
3vkg DYNEIN HEAVY CHAIN,
CYTOPLASMIC


(Dictyostelium
discoideum)
PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9)
4 LEU A1867
ARG A1872
ILE A1879
ASN A1857
None
1.10A 4i00A-3vkgA:
undetectable
4i00A-3vkgA:
7.50
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.
3wg6 CONJUGATED
POLYKETONE REDUCTASE
C1


(Candida
parapsilosis)
PF00248
(Aldo_ket_red)
4 LEU A 171
TRP A 142
ILE A 157
ASN A  14
None
1.33A 4i00A-3wg6A:
undetectable
4i00A-3wg6A:
21.34
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.
3wiq KOJIBIOSE
PHOSPHORYLASE


(Caldicellulosiruptor
saccharolyticus)
PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N)
4 LEU A 108
ARG A 106
ILE A 242
ASN A 150
None
1.47A 4i00A-3wiqA:
undetectable
4i00A-3wiqA:
18.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4b7j NEURAMINIDASE

(Influenza A
virus)
PF00064
(Neur)
4 LEU A 134
ARG A 156
TRP A 179
ASN A 295
None
None
None
G39  A1470 ( 3.7A)
0.95A 4i00A-4b7jA:
64.0
4i00A-4b7jA:
40.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c7v TRANSKETOLASE

(Lactobacillus
salivarius)
PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
4 LEU A 345
TRP A 503
ILE A 456
ASN A 335
None
1.02A 4i00A-4c7vA:
undetectable
4i00A-4c7vA:
19.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4cpn NEURAMINIDASE

(Influenza B
virus)
PF00064
(Neur)
5 LEU A 131
ARG A 153
TRP A 176
ILE A 220
ASN A 293
None
ZMR  A 700 (-4.2A)
None
None
ZMR  A 700 ( 3.9A)
0.97A 4i00A-4cpnA:
53.0
4i00A-4cpnA:
30.62
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.
4dkj CYTOSINE-SPECIFIC
METHYLTRANSFERASE


(Mycoplasma
penetrans)
PF00145
(DNA_methylase)
4 LEU A 318
ARG A 228
ILE A 291
ASN A 303
None
1.37A 4i00A-4dkjA:
undetectable
4i00A-4dkjA:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gl2 INTERFERON-INDUCED
HELICASE C
DOMAIN-CONTAINING
PROTEIN 1


(Homo sapiens)
PF00271
(Helicase_C)
PF04851
(ResIII)
PF11648
(RIG-I_C-RD)
4 LEU A 809
ARG A 806
ILE A 814
ASN A 364
None
1.37A 4i00A-4gl2A:
undetectable
4i00A-4gl2A:
17.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h53 NEURAMINIDASE

(Influenza A
virus)
PF00064
(Neur)
5 LEU A 134
ARG A 156
TRP A 178
ILE A 222
ASN A 294
None
None
None
None
SLB  A 512 ( 4.2A)
0.86A 4i00A-4h53A:
65.5
4i00A-4h53A:
53.18
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.
4he4 YELLOW FLUORESCENT
PROTEIN


(Phialidium sp.
SL-2003)
PF01353
(GFP)
4 LEU A 207
TRP A  57
ILE A  29
ASN A 119
None
None
None
CRO  A  65 ( 4.0A)
1.40A 4i00A-4he4A:
undetectable
4i00A-4he4A:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hym TOPOISOMERASE IV,
SUBUNIT B


(Francisella
tularensis)
PF00204
(DNA_gyraseB)
PF02518
(HATPase_c)
4 LEU A 231
TRP A 254
ILE A 290
ASN A 297
None
1.50A 4i00A-4hymA:
undetectable
4i00A-4hymA:
23.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hzz NEURAMINIDASE

(Influenza A
virus)
PF00064
(Neur)
5 LEU A 134
ARG A 156
TRP A 178
ILE A 222
ASN A 294
None
None
None
G39  A 509 ( 4.1A)
G39  A 509 ( 4.4A)
0.19A 4i00A-4hzzA:
75.2
4i00A-4hzzA:
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.
4k2b NTD BIOSYNTHESIS
OPERON PROTEIN NTDA


(Bacillus
subtilis)
PF01041
(DegT_DnrJ_EryC1)
4 LEU A 415
ARG A 317
TRP A 348
ASN A 149
None
1.25A 4i00A-4k2bA:
undetectable
4i00A-4k2bA:
19.57
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.
4lss ENVELOPE
GLYCOPROTEIN GP120


(Human
immunodeficiency
virus 1)
PF00516
(GP120)
4 LEU G 416
TRP G 338
ILE G 452
ASN G 478
None
1.48A 4i00A-4lssG:
undetectable
4i00A-4lssG:
21.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mju NEURAMINIDASE

(Influenza A
virus)
PF00064
(Neur)
5 LEU A 134
ARG A 156
TRP A 178
ILE A 222
ASN A 294
None
None
None
27S  A 501 ( 4.6A)
27S  A 501 (-3.6A)
1.04A 4i00A-4mjuA:
62.9
4i00A-4mjuA:
46.33
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.
4mpt PUTATIVE
LEU/ILE/VAL-BINDING
PROTEIN


(Bordetella
pertussis)
PF13458
(Peripla_BP_6)
4 LEU A  12
ARG A  24
ILE A   6
ASN A  70
None
1.37A 4i00A-4mptA:
undetectable
4i00A-4mptA:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o6r ALDEHYDE
DEHYDROGENASE


(Burkholderia
cenocepacia)
PF00171
(Aldedh)
4 ARG A 441
TRP A 435
ILE A 282
ASN A 149
None
None
NO3  A 502 (-4.8A)
None
1.32A 4i00A-4o6rA:
undetectable
4i00A-4o6rA:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o87 N-TAGGED NUCLEASE

(Millerozyma
acaciae)
no annotation 4 LEU A 164
TRP A  68
ILE A  47
ASN A 123
None
None
None
SO4  A 513 (-4.6A)
1.19A 4i00A-4o87A:
undetectable
4i00A-4o87A:
22.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qn3 NEURAMINIDASE

(Influenza A
virus)
PF00064
(Neur)
5 LEU A  52
ARG A  74
TRP A  97
ILE A 141
ASN A 213
None
0.88A 4i00A-4qn3A:
63.7
4i00A-4qn3A:
47.09
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.
4ud8 FAD-BINDING AND BBE
DOMAIN-CONTAINING
PROTEIN


(Arabidopsis
thaliana)
PF01565
(FAD_binding_4)
PF08031
(BBE)
4 ARG A 452
TRP A 456
ILE A 457
ASN A  71
None
1.33A 4i00A-4ud8A:
undetectable
4i00A-4ud8A:
21.73
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.
4w8j PESTICIDAL CRYSTAL
PROTEIN CRY1AC


(Bacillus
thuringiensis)
PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N)
4 LEU A 263
ARG A 265
ILE A  36
ASN A 418
None
1.39A 4i00A-4w8jA:
undetectable
4i00A-4w8jA:
14.83
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.
4xqk LLABIII

(Lactococcus
lactis)
PF00271
(Helicase_C)
PF02384
(N6_Mtase)
PF04851
(ResIII)
PF13156
(Mrr_cat_2)
4 LEU A1181
TRP A1178
ILE A1162
ASN A1087
None
1.47A 4i00A-4xqkA:
undetectable
4i00A-4xqkA:
13.24
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.
4y7s SURFACE ANTIGEN
PROTEIN 2


(Candida
albicans)
PF05730
(CFEM)
4 LEU A 138
ARG A 111
ILE A  55
ASN A  49
None
1.46A 4i00A-4y7sA:
undetectable
4i00A-4y7sA:
15.43
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.
4yc7 FORMIN-LIKE PROTEIN
2


(Homo sapiens)
PF06367
(Drf_FH3)
PF06371
(Drf_GBD)
4 LEU B 284
ARG B 299
ILE B 324
ASN B 374
None
1.20A 4i00A-4yc7B:
undetectable
4i00A-4yc7B:
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.
4yzw AGAP004976-PA

(Anopheles
gambiae)
PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C)
4 LEU A 455
ARG A 457
ILE A 695
ASN A 692
None
1.26A 4i00A-4yzwA:
undetectable
4i00A-4yzwA:
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.
5bpt MGC81278 PROTEIN

(Xenopus laevis)
PF12894
(ANAPC4_WD40)
PF12896
(ANAPC4)
4 LEU A 199
ARG A 200
ILE A  17
ASN A 730
None
1.49A 4i00A-5bptA:
undetectable
4i00A-5bptA:
19.30
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.
5ncl SERINE/THREONINE-PRO
TEIN KINASE CBK1


(Saccharomyces
cerevisiae)
no annotation 4 ARG A 656
TRP A 594
ILE A 463
ASN A 480
None
None
None
ANP  A 801 (-3.8A)
1.49A 4i00A-5nclA:
undetectable
4i00A-5nclA:
12.63
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.
5o60 50S RIBOSOMAL
PROTEIN L10


(Mycolicibacterium
smegmatis)
PF00466
(Ribosomal_L10)
4 LEU I  36
ARG I  40
ILE I  79
ASN I  54
A  A1202 ( 4.9A)
G  A1201 ( 3.5A)
None
G  A1225 ( 3.2A)
1.25A 4i00A-5o60I:
undetectable
4i00A-5o60I:
15.64
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.
5ocs PUTATIVE
NADH-DEPENTDENT
FLAVIN
OXIDOREDUCTASE


(Cupriavidus
metallidurans)
PF00724
(Oxidored_FMN)
4 ARG A 231
TRP A 229
ILE A  10
ASN A  17
FMN  A 401 (-2.8A)
None
None
None
1.47A 4i00A-5ocsA:
undetectable
4i00A-5ocsA:
20.95
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.
5tt1 PUTATIVE SHORT-CHAIN
ALCOHOL
DEHYDROGENASE


(Burkholderia
multivorans)
PF00106
(adh_short)
4 ARG A  31
TRP A  33
ILE A  11
ASN A  90
None
1.49A 4i00A-5tt1A:
undetectable
4i00A-5tt1A:
19.19
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.
5vkw ADENYLOSUCCINATE
LYASE


(Candida
albicans)
PF00206
(Lyase_1)
PF10397
(ADSL_C)
4 LEU A 173
TRP A 172
ILE A 266
ASN A 354
None
1.33A 4i00A-5vkwA:
undetectable
4i00A-5vkwA:
22.53
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.
5wru PROBABLE INORGANIC
PYROPHOSPHATASE


(Plasmodium
falciparum)
no annotation 4 LEU A 269
ARG A 273
ILE A 229
ASN A 361
None
1.37A 4i00A-5wruA:
undetectable
4i00A-5wruA:
22.17
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.
5wug BETA-GLUCOSIDASE

(Paenibacillus
barengoltzii)
no annotation 4 LEU A 143
TRP A 118
ILE A 119
ASN A  94
None
1.46A 4i00A-5wugA:
undetectable
4i00A-5wugA:
10.13
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.
5y3r DNA-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT


(Homo sapiens)
PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08163
(NUC194)
4 LEU C 773
TRP C 776
ILE C 792
ASN C 869
None
1.30A 4i00A-5y3rC:
undetectable
4i00A-5y3rC:
6.47
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.
5y6q ALDEHYDE OXIDASE
LARGE SUBUNIT


(Methylobacillus
sp. KY4400)
no annotation 4 LEU C 400
ARG C 401
ILE C 322
ASN C 197
None
1.02A 4i00A-5y6qC:
undetectable
4i00A-5y6qC:
11.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y7y ARYL HYDROCARBON
RECEPTOR NUCLEAR
TRANSLOCATOR
ARYL HYDROCARBON
RECEPTOR REPRESSOR


(Bos taurus;
Homo sapiens)
PF00010
(HLH)
PF00989
(PAS)
PF14598
(PAS_11)
4 LEU A 248
TRP A 177
ILE B 458
ASN B 461
None
1.14A 4i00A-5y7yA:
undetectable
4i00A-5y7yA:
19.07
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.
6ax6 PROCOLLAGEN LYSYL
HYDROXYLASE AND
GLYCOSYLTRANSFERASE


(Acanthamoeba
polyphaga
mimivirus)
no annotation 4 LEU A 778
TRP A 782
ILE A 835
ASN A 838
None
None
None
IOD  A 907 ( 4.7A)
1.40A 4i00A-6ax6A:
undetectable
4i00A-6ax6A:
11.32
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.
6br6 NEURAMINIDASE

(Influenza A
virus)
no annotation 5 LEU A 134
ARG A 156
TRP A 178
ILE A 222
ASN A 294
None
None
None
E3M  A 511 ( 4.3A)
E3M  A 511 ( 3.1A)
0.88A 4i00A-6br6A:
65.7
4i00A-6br6A:
12.67
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.
6ejj WLAC PROTEIN

(Campylobacter
jejuni)
no annotation 4 LEU A  21
TRP A 350
ILE A 114
ASN A 106
None
1.49A 4i00A-6ejjA:
undetectable
4i00A-6ejjA:
11.08