SIMILAR PATTERNS OF AMINO ACIDS FOR 4B7N_A_ZMRA601_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.
1bpl ALPHA-1,4-GLUCAN-4-G
LUCANOHYDROLASE


(Bacillus
licheniformis)
PF00128
(Alpha-amylase)
PF09154
(DUF1939)
3 ARG B 354
ARG B 413
TRP B 411
None
1.18A 4b7nA-1bplB:
undetectable
4b7nA-1bplB:
18.22
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.
1e43 ALPHA-AMYLASE

(Bacillus
amyloliquefaciens)
PF00128
(Alpha-amylase)
PF09154
(DUF1939)
3 ARG A 354
ARG A 413
TRP A 411
None
1.08A 4b7nA-1e43A:
undetectable
4b7nA-1e43A:
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.
1f4h BETA-GALACTOSIDASE

(Escherichia
coli)
PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981)
3 ARG A  43
ARG A 310
TRP A 261
None
1.26A 4b7nA-1f4hA:
undetectable
4b7nA-1f4hA:
17.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ile ISOLEUCYL-TRNA
SYNTHETASE


(Thermus
thermophilus)
PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
3 ARG A 510
ARG A 509
TRP A 459
None
1.01A 4b7nA-1ileA:
undetectable
4b7nA-1ileA:
19.26
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.
1ity TRF1

(Homo sapiens)
PF00249
(Myb_DNA-binding)
3 ARG A 423
ARG A 380
TRP A 383
None
1.39A 4b7nA-1ityA:
undetectable
4b7nA-1ityA:
8.70
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)
3 ARG N 152
ARG N 156
TRP N 178
None
0.38A 4b7nA-1nmbN:
63.5
4b7nA-1nmbN:
45.21
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.
1o5w AMINE OXIDASE
[FLAVIN-CONTAINING]
A


(Rattus
norvegicus)
PF01593
(Amino_oxidase)
3 ARG A 454
ARG A 457
TRP A 472
None
1.11A 4b7nA-1o5wA:
undetectable
4b7nA-1o5wA:
21.42
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.
1o9j ALDEHYDE
DEHYDROGENASE,
CYTOSOLIC 1


(Elephantulus
edwardii)
PF00171
(Aldedh)
3 ARG A  84
ARG A  77
TRP A  76
None
1.31A 4b7nA-1o9jA:
undetectable
4b7nA-1o9jA:
22.78
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.
1qjs HEMOPEXIN

(Oryctolagus
cuniculus)
PF00045
(Hemopexin)
3 ARG A 174
ARG A 257
TRP A 268
HEM  A 500 (-4.2A)
None
None
1.42A 4b7nA-1qjsA:
3.6
4b7nA-1qjsA:
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.
1u5l PRION PROTEIN

(Trachemys
scripta)
PF00377
(Prion)
3 ARG A 156
ARG A 138
TRP A 150
None
1.43A 4b7nA-1u5lA:
undetectable
4b7nA-1u5lA:
12.99
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.
1ud3 AMYLASE

(Bacillus sp.
KSM-K38)
PF00128
(Alpha-amylase)
PF09154
(DUF1939)
3 ARG A 354
ARG A 410
TRP A 408
None
1.19A 4b7nA-1ud3A:
undetectable
4b7nA-1ud3A:
19.92
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)
3 ARG A 158
ARG A 162
TRP A 185
None
0.21A 4b7nA-1v0zA:
64.3
4b7nA-1v0zA:
38.77
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)
3 ARG A 150
ARG A 154
TRP A 177
IBA  A   1 (-3.9A)
IBA  A   1 (-4.1A)
None
0.40A 4b7nA-1vcjA:
52.6
4b7nA-1vcjA:
32.29
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.
1vfg POLY A POLYMERASE

(Aquifex
aeolicus)
PF01743
(PolyA_pol)
3 ARG A 213
ARG A 216
TRP A 227
None
1.11A 4b7nA-1vfgA:
undetectable
4b7nA-1vfgA:
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.
1vjs ALPHA-AMYLASE

(Bacillus
licheniformis)
PF00128
(Alpha-amylase)
PF09154
(DUF1939)
3 ARG A 354
ARG A 413
TRP A 411
None
1.13A 4b7nA-1vjsA:
undetectable
4b7nA-1vjsA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w2u ENDOGLUCANASE

(Humicola grisea)
PF01670
(Glyco_hydro_12)
3 ARG A 171
ARG A 217
TRP A  89
None
PG4  A 501 (-3.0A)
None
1.34A 4b7nA-1w2uA:
undetectable
4b7nA-1w2uA:
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.
1w9x ALPHA AMYLASE

(Bacillus
halmapalus)
PF00128
(Alpha-amylase)
PF09154
(DUF1939)
3 ARG A 359
ARG A 415
TRP A 413
None
1.08A 4b7nA-1w9xA:
undetectable
4b7nA-1w9xA:
21.64
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)
3 ARG A 153
ARG A 157
TRP A 180
ABW  A1000 (-4.1A)
ABW  A1000 (-4.2A)
None
0.48A 4b7nA-1xogA:
63.7
4b7nA-1xogA:
40.98
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.
2an2 P332G A333S DOUBLE
MUTANT OF NITRIC
OXIDE SYNTHASE FROM
BACILLUS SUBTILIS


(Bacillus
subtilis)
PF02898
(NO_synthase)
3 ARG A  57
ARG A  65
TRP A  68
None
1.50A 4b7nA-2an2A:
undetectable
4b7nA-2an2A:
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.
2c1d SOXA

(Paracoccus
denitrificans)
no annotation 3 ARG A  73
ARG A  68
TRP A  65
None
HEC  A1292 (-3.1A)
None
0.66A 4b7nA-2c1dA:
undetectable
4b7nA-2c1dA:
19.16
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.
2d3l GLUCAN
1,4-ALPHA-MALTOHEXAO
SIDASE


(Bacillus sp.
707)
PF00128
(Alpha-amylase)
PF09154
(DUF1939)
3 ARG A 359
ARG A 415
TRP A 413
None
1.11A 4b7nA-2d3lA:
undetectable
4b7nA-2d3lA:
21.15
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.
2d3y URACIL-DNA
GLYCOSYLASE


(Thermus
thermophilus)
PF03167
(UDG)
3 ARG A  41
ARG A  23
TRP A  39
None
SF4  A 220 ( 4.8A)
None
1.33A 4b7nA-2d3yA:
undetectable
4b7nA-2d3yA:
15.60
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.
2d4z CHLORIDE CHANNEL
PROTEIN


(Torpedo
marmorata)
no annotation 3 ARG A 598
ARG A 706
TRP A 703
None
1.49A 4b7nA-2d4zA:
undetectable
4b7nA-2d4zA:
19.92
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.
2die AMYLASE

(Bacillus sp.
(in: Bacteria))
PF00128
(Alpha-amylase)
PF09154
(DUF1939)
3 ARG A 359
ARG A 415
TRP A 413
None
0.74A 4b7nA-2dieA:
undetectable
4b7nA-2dieA:
20.31
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.
2fx5 LIPASE

(Pseudomonas
mendocina)
no annotation 3 ARG A 201
ARG A 202
TRP A 251
None
1.34A 4b7nA-2fx5A:
undetectable
4b7nA-2fx5A:
20.89
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)
3 ARG A 152
ARG A 156
TRP A 178
None
0.30A 4b7nA-2htvA:
69.6
4b7nA-2htvA:
66.83
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.
2pbi REGULATOR OF
G-PROTEIN SIGNALING
9


(Mus musculus)
PF00610
(DEP)
PF00615
(RGS)
PF00631
(G-gamma)
3 ARG A 292
ARG A 295
TRP A 296
None
1.45A 4b7nA-2pbiA:
undetectable
4b7nA-2pbiA:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bga BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron)
PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981)
3 ARG A 216
ARG A 230
TRP A 217
None
1.49A 4b7nA-3bgaA:
undetectable
4b7nA-3bgaA:
17.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cf0 TRANSITIONAL
ENDOPLASMIC
RETICULUM ATPASE


(Mus musculus)
PF00004
(AAA)
PF09336
(Vps4_C)
3 ARG A 586
ARG A 599
TRP A 551
None
1.17A 4b7nA-3cf0A:
undetectable
4b7nA-3cf0A:
21.35
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)
3 ARG A 152
ARG A 156
TRP A 178
ZMR  A 469 (-3.9A)
ZMR  A 469 (-3.4A)
None
0.83A 4b7nA-3ckzA:
74.2
4b7nA-3ckzA:
90.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dec BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron)
PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981)
3 ARG A 192
ARG A 206
TRP A 193
None
1.38A 4b7nA-3decA:
undetectable
4b7nA-3decA:
18.18
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.
3gla LOW MOLECULAR WEIGHT
HEAT SHOCK PROTEIN


(Xanthomonas
citri)
PF00011
(HSP20)
3 ARG A  84
ARG A 101
TRP A  42
None
1.48A 4b7nA-3glaA:
undetectable
4b7nA-3glaA:
10.20
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.
3h2i ESTERASE

(Xanthomonas
oryzae)
PF03583
(LIP)
3 ARG A 187
ARG A 354
TRP A 322
None
1.38A 4b7nA-3h2iA:
undetectable
4b7nA-3h2iA:
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.
3hag CAPSID PROTEIN

(Orthohepevirus
A)
PF03014
(SP2)
3 ARG A 186
ARG A 259
TRP A 258
None
1.44A 4b7nA-3hagA:
undetectable
4b7nA-3hagA:
23.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iv0 SUSD HOMOLOG

(Bacteroides
thetaiotaomicron)
PF07980
(SusD_RagB)
PF14322
(SusD-like_3)
3 ARG A 162
ARG A 457
TRP A 237
None
1.27A 4b7nA-3iv0A:
undetectable
4b7nA-3iv0A:
21.63
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.
3jd5 28S RIBOSOMAL
PROTEIN S5,
MITOCHONDRIAL


(Bos taurus)
PF00333
(Ribosomal_S5)
PF03719
(Ribosomal_S5_C)
3 ARG E 128
ARG E 176
TRP E 179
None
1.26A 4b7nA-3jd5E:
undetectable
4b7nA-3jd5E:
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.
3jwe MGLL PROTEIN

(Homo sapiens)
PF12146
(Hydrolase_4)
3 ARG A  43
ARG A  73
TRP A  45
None
1.07A 4b7nA-3jweA:
undetectable
4b7nA-3jweA:
19.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kpx APOPHOTOPROTEIN
CLYTIN-3


(Clytia gregaria)
PF13202
(EF-hand_5)
3 ARG A 176
ARG A 115
TRP A 106
None
1.19A 4b7nA-3kpxA:
undetectable
4b7nA-3kpxA:
17.81
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.
3ml0 PENICILLIN G
ACYLASE, BETA
SUBUNIT


(Alcaligenes
faecalis)
PF01804
(Penicil_amidase)
3 ARG B 298
ARG B 295
TRP B 294
None
1.36A 4b7nA-3ml0B:
undetectable
4b7nA-3ml0B:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pfr MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN


(Actinobacillus
succinogenes)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
3 ARG A 179
ARG A 199
TRP A 175
None
1.39A 4b7nA-3pfrA:
undetectable
4b7nA-3pfrA:
20.08
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.
3pta DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1


(Homo sapiens)
PF00145
(DNA_methylase)
PF01426
(BAH)
PF02008
(zf-CXXC)
3 ARG A1574
ARG A 650
TRP A1170
None
None
SAH  A1601 (-4.9A)
1.25A 4b7nA-3ptaA:
undetectable
4b7nA-3ptaA:
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.
3rac HISTIDINE-TRNA
LIGASE


(Alicyclobacillus
acidocaldarius)
PF13393
(tRNA-synt_His)
3 ARG A  77
ARG A  81
TRP A  79
None
1.14A 4b7nA-3racA:
undetectable
4b7nA-3racA:
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.
3rac HISTIDINE-TRNA
LIGASE


(Alicyclobacillus
acidocaldarius)
PF13393
(tRNA-synt_His)
3 ARG A  77
ARG A 126
TRP A  79
None
1.19A 4b7nA-3racA:
undetectable
4b7nA-3racA:
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.
3sbg PRE-MRNA-SPLICING
FACTOR 8


(Saccharomyces
cerevisiae)
PF08084
(PROCT)
PF12134
(PRP8_domainIV)
3 ARG A2388
ARG A2153
TRP A2152
None
1.14A 4b7nA-3sbgA:
undetectable
4b7nA-3sbgA:
21.12
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.
3sgh SUSD HOMOLOG

(Bacteroides
thetaiotaomicron)
PF12741
(SusD-like)
3 ARG A 220
ARG A 453
TRP A 513
None
1.48A 4b7nA-3sghA:
undetectable
4b7nA-3sghA:
22.08
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)
3 ARG A 152
ARG A 156
TRP A 178
LNV  A 901 (-4.0A)
LNV  A 901 (-4.0A)
None
0.07A 4b7nA-3ti8A:
69.6
4b7nA-3ti8A:
48.41
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)
3 ARG A 152
ARG A 156
TRP A 178
LNV  A 801 (-3.9A)
LNV  A 801 (-4.0A)
None
0.08A 4b7nA-3tiaA:
64.0
4b7nA-3tiaA:
45.55
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.
3w7b FORMYLTETRAHYDROFOLA
TE DEFORMYLASE


(Thermus
thermophilus)
PF00551
(Formyl_trans_N)
PF01842
(ACT)
3 ARG A 264
ARG A 267
TRP A 268
None
1.04A 4b7nA-3w7bA:
undetectable
4b7nA-3w7bA:
17.75
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.
4agv GALECTIN

(Cinachyrella)
PF00337
(Gal-bind_lectin)
3 ARG A  51
ARG A  47
TRP A  50
None
1.43A 4b7nA-4agvA:
undetectable
4b7nA-4agvA:
15.10
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)
3 ARG A 152
ARG A 156
TRP A 179
G39  A1470 (-3.9A)
None
None
0.11A 4b7nA-4b7jA:
75.4
4b7nA-4b7jA:
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.
4bzk PROTEIN TRANSPORT
PROTEIN SEC31


(Saccharomyces
cerevisiae)
PF00400
(WD40)
PF12931
(Sec16_C)
3 ARG A 434
ARG A 680
TRP A 447
None
1.45A 4b7nA-4bzkA:
8.4
4b7nA-4bzkA:
16.17
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)
3 ARG A 149
ARG A 153
TRP A 176
ZMR  A 700 (-4.0A)
ZMR  A 700 (-4.2A)
None
0.13A 4b7nA-4cpnA:
53.4
4b7nA-4cpnA:
34.16
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.
4es9 EPF

(Streptococcus
pyogenes)
no annotation 3 ARG A  79
ARG A 105
TRP A  69
None
1.39A 4b7nA-4es9A:
undetectable
4b7nA-4es9A:
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.
4g1p CYS-GLY
METALLODIPEPTIDASE
DUG1


(Saccharomyces
cerevisiae)
PF01546
(Peptidase_M20)
PF07687
(M20_dimer)
3 ARG A 418
ARG A 216
TRP A 314
None
1.48A 4b7nA-4g1pA:
undetectable
4b7nA-4g1pA:
21.89
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)
3 ARG A 152
ARG A 156
TRP A 178
SLB  A 512 (-3.8A)
None
None
0.08A 4b7nA-4h53A:
64.0
4b7nA-4h53A:
41.63
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.
4hes BETA-LACTAMASE CLASS
A-LIKE PROTEIN


(Veillonella
parvula)
PF13354
(Beta-lactamase2)
3 ARG A 182
ARG A 189
TRP A 192
None
1.19A 4b7nA-4hesA:
undetectable
4b7nA-4hesA:
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.
4hn8 D-GLUCARATE
DEHYDRATASE


(Pseudomonas
mendocina)
PF13378
(MR_MLE_C)
3 ARG A 195
ARG A 215
TRP A 191
None
1.37A 4b7nA-4hn8A:
undetectable
4b7nA-4hn8A:
19.53
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)
3 ARG A 152
ARG A 156
TRP A 178
G39  A 509 (-3.9A)
None
None
0.09A 4b7nA-4hzzA:
63.3
4b7nA-4hzzA:
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.
4kwg ALDEHYDE
DEHYDROGENASE,
MITOCHONDRIAL


(Homo sapiens)
PF00171
(Aldedh)
3 ARG A  84
ARG A  77
TRP A  76
None
GAI  A 605 ( 4.6A)
None
1.22A 4b7nA-4kwgA:
undetectable
4b7nA-4kwgA:
20.96
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)
3 ARG A 152
ARG A 156
TRP A 178
27S  A 501 (-4.2A)
None
None
0.69A 4b7nA-4mjuA:
67.2
4b7nA-4mjuA:
53.72
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.
4p1c TOLUENE-4-MONOOXYGEN
ASE SYSTEM PROTEIN E


(Pseudomonas
mendocina)
PF02332
(Phenol_Hydrox)
3 ARG B 200
ARG B 187
TRP B 190
None
1.18A 4b7nA-4p1cB:
undetectable
4b7nA-4p1cB:
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.
4pdy AMINOGLYCOSIDE
PHOSPHOTRANSFERASE


(Alicyclobacillus
acidocaldarius)
PF01636
(APH)
3 ARG A 166
ARG A 163
TRP A 162
None
1.41A 4b7nA-4pdyA:
undetectable
4b7nA-4pdyA:
18.28
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.
4qi8 LYTIC POLYSACCHARIDE
MONOOXYGENASE


(Neurospora
crassa)
PF03443
(Glyco_hydro_61)
3 ARG A 139
ARG A  41
TRP A  99
None
1.39A 4b7nA-4qi8A:
undetectable
4b7nA-4qi8A:
19.75
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)
3 ARG A  70
ARG A  74
TRP A  97
None
0.28A 4b7nA-4qn3A:
64.0
4b7nA-4qn3A:
38.61
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.
4uzu ALPHA-AMYLASE

(Geobacillus
stearothermophilus)
PF00128
(Alpha-amylase)
PF09154
(DUF1939)
3 ARG A 355
ARG A 411
TRP A 409
None
1.08A 4b7nA-4uzuA:
undetectable
4b7nA-4uzuA:
21.14
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.
4whx BRANCHED-CHAIN-AMINO
-ACID TRANSAMINASE


(Burkholderia
pseudomallei)
PF01063
(Aminotran_4)
3 ARG A   6
ARG A  20
TRP A  19
None
1.03A 4b7nA-4whxA:
undetectable
4b7nA-4whxA:
21.14
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.
5abm RETINAL
DEHYDROGENASE 1


(Ovis aries)
PF00171
(Aldedh)
3 ARG A  84
ARG A  77
TRP A  76
None
1.24A 4b7nA-5abmA:
undetectable
4b7nA-5abmA:
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.
5fhz ALDEHYDE
DEHYDROGENASE FAMILY
1 MEMBER A3


(Homo sapiens)
PF00171
(Aldedh)
3 ARG A  96
ARG A  89
TRP A  88
None
1.14A 4b7nA-5fhzA:
undetectable
4b7nA-5fhzA:
21.85
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.
5igp MACROLIDE
2'-PHOSPHOTRANSFERAS
E


(Escherichia
coli)
PF01636
(APH)
3 ARG A 176
ARG A 179
TRP A 180
None
1.29A 4b7nA-5igpA:
undetectable
4b7nA-5igpA:
17.27
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.
5ixp EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY 1


(Kribbella
flavida)
PF13416
(SBP_bac_8)
3 ARG A 164
ARG A 165
TRP A 300
None
1.30A 4b7nA-5ixpA:
undetectable
4b7nA-5ixpA:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vm8 RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E


(Neisseria
gonorrhoeae)
PF04452
(Methyltrans_RNA)
3 ARG A 124
ARG A 127
TRP A 128
None
1.45A 4b7nA-5vm8A:
undetectable
4b7nA-5vm8A:
16.88
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.
5wbs FRIZZLED-7,INHIBITOR
PEPTIDE FZ7-21


(Homo sapiens)
no annotation 3 ARG A  98
ARG A 117
TRP A 112
None
1.39A 4b7nA-5wbsA:
undetectable
4b7nA-5wbsA:
9.44
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.
5xtc NADH DEHYDROGENASE
[UBIQUINONE] 1 BETA
SUBCOMPLEX SUBUNIT
5, MITOCHONDRIAL


(Homo sapiens)
no annotation 3 ARG a 123
ARG a 119
TRP a 110
None
1.35A 4b7nA-5xtca:
undetectable
4b7nA-5xtca:
12.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y7o UGGT

(Thermomyces
dupontii)
PF06427
(UDP-g_GGTase)
3 ARG A 924
ARG A 927
TRP A 928
None
1.14A 4b7nA-5y7oA:
undetectable
4b7nA-5y7oA:
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.
6az1 RIBOSOMAL PROTEIN S4

(Leishmania
donovani)
no annotation 3 ARG D  39
ARG D  43
TRP D  11
A  1 643 ( 3.2A)
A  1 521 ( 3.7A)
G  1 520 ( 4.4A)
1.08A 4b7nA-6az1D:
undetectable
4b7nA-6az1D:
9.59
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.
6b5i RETINAL
DEHYDROGENASE 2


(Homo sapiens)
no annotation 3 ARG A 102
ARG A  95
TRP A  94
None
1.26A 4b7nA-6b5iA:
undetectable
4b7nA-6b5iA:
8.58
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.
6br6 NEURAMINIDASE

(Influenza A
virus)
no annotation 3 ARG A 152
ARG A 156
TRP A 178
E3M  A 511 (-3.8A)
None
None
0.11A 4b7nA-6br6A:
64.3
4b7nA-6br6A:
11.56
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.
6dd6 PHOTOLYASE PHRB

(Agrobacterium
tumefaciens)
no annotation 3 ARG A 492
ARG A 468
TRP A 484
None
1.24A 4b7nA-6dd6A:
undetectable
4b7nA-6dd6A:
undetectable