SIMILAR PATTERNS OF AMINO ACIDS FOR 4FU8_A_ACTA302_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site

Query pattern: Residues from known binding site for annotated drug that match the hit pattern


(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism
Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1a0j TRYPSIN

(Salmo salar)
PF00089
(Trypsin)
4 HIS A  57
GLN A 192
GLY A 193
SER A 195
SO4  A 248 (-3.9A)
None
SO4  A 248 (-3.8A)
SO4  A 248 ( 2.5A)
0.83A 4fu8A-1a0jA:
33.9
4fu8A-1a0jA:
37.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1a0j TRYPSIN

(Salmo salar)
PF00089
(Trypsin)
4 TYR A 151
GLN A 192
GLY A 193
SER A 195
None
None
SO4  A 248 (-3.8A)
SO4  A 248 ( 2.5A)
0.91A 4fu8A-1a0jA:
33.9
4fu8A-1a0jA:
37.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1a5i PLASMINOGEN
ACTIVATOR


(Desmodus
rotundus)
PF00089
(Trypsin)
4 HIS A  57
GLN A 192
GLY A 193
SER A 195
0GJ  A 245 (-2.7A)
0GJ  A 245 (-3.5A)
0GJ  A 245 (-3.7A)
0GJ  A 245 (-1.4A)
0.86A 4fu8A-1a5iA:
35.9
4fu8A-1a5iA:
40.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1a5i PLASMINOGEN
ACTIVATOR


(Desmodus
rotundus)
PF00089
(Trypsin)
4 HIS A  57
TYR A 151
GLY A 193
SER A 195
0GJ  A 245 (-2.7A)
None
0GJ  A 245 (-3.7A)
0GJ  A 245 (-1.4A)
0.49A 4fu8A-1a5iA:
35.9
4fu8A-1a5iA:
40.23
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.
1b41 ACETYLCHOLINESTERASE

(Homo sapiens)
PF00135
(COesterase)
4 HIS A 447
TYR A 124
GLY A 121
SER A 203
None
1.29A 4fu8A-1b41A:
undetectable
4fu8A-1b41A:
16.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b41 ACETYLCHOLINESTERASE

(Homo sapiens)
PF00135
(COesterase)
4 HIS A 447
TYR A 124
GLY A 122
SER A 203
None
1.27A 4fu8A-1b41A:
undetectable
4fu8A-1b41A:
16.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1c2o ACETYLCHOLINESTERASE

(Electrophorus
electricus)
PF00135
(COesterase)
4 HIS A 447
TYR A 124
GLY A 121
SER A 203
None
1.29A 4fu8A-1c2oA:
undetectable
4fu8A-1c2oA:
17.74
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.
1c2o ACETYLCHOLINESTERASE

(Electrophorus
electricus)
PF00135
(COesterase)
4 HIS A 447
TYR A 124
GLY A 122
SER A 203
None
1.28A 4fu8A-1c2oA:
undetectable
4fu8A-1c2oA:
17.74
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.
1e8c UDP-N-ACETYLMURAMOYL
ALANYL-D-GLUTAMATE--
2,6-DIAMINOPIMELATE
LIGASE


(Escherichia
coli)
PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M)
4 HIS A 214
GLN A 190
GLY A 187
SER A 185
None
UAG  A1498 (-2.8A)
None
KCX  A 224 ( 4.0A)
1.17A 4fu8A-1e8cA:
undetectable
4fu8A-1e8cA:
18.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ekb ENTEROPEPTIDASE

(Bos taurus)
PF00089
(Trypsin)
4 HIS B  57
GLN B 192
GLY B 193
SER B 195
None
0.86A 4fu8A-1ekbB:
36.6
4fu8A-1ekbB:
34.88
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.
1ept PORCINE E-TRYPSIN
PORCINE E-TRYPSIN


(Sus scrofa;
Sus scrofa)
PF00089
(Trypsin)
PF00089
(Trypsin)
5 HIS A  57
TYR C 151
GLN C 192
GLY C 193
SER C 195
None
1.00A 4fu8A-1eptA:
3.1
4fu8A-1eptA:
8.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1fi8 NATURAL KILLER CELL
PROTEASE 1


(Rattus
norvegicus)
PF00089
(Trypsin)
4 HIS A  57
TYR A 151
GLY A 193
SER A 195
None
0.68A 4fu8A-1fi8A:
10.6
4fu8A-1fi8A:
32.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1fiz BETA-ACROSIN HEAVY
CHAIN


(Sus scrofa)
PF00089
(Trypsin)
4 HIS A  57
GLN A 192
GLY A 193
SER A 195
None
PBZ  A 308 (-3.6A)
None
PBZ  A 308 (-3.2A)
0.87A 4fu8A-1fizA:
36.4
4fu8A-1fizA:
32.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1fxy COAGULATION FACTOR
XA-TRYPSIN CHIMERA


(Homo sapiens)
PF00089
(Trypsin)
4 HIS A  57
GLN A 192
GLY A 193
SER A 195
0G6  A   1 (-2.7A)
0G6  A   1 (-3.8A)
0G6  A   1 (-3.7A)
0G6  A   1 (-1.4A)
0.88A 4fu8A-1fxyA:
33.1
4fu8A-1fxyA:
34.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1h9h TRYPSIN

(Sus scrofa)
PF00089
(Trypsin)
4 HIS E  57
GLN E 192
GLY E 193
SER E 195
None
0.83A 4fu8A-1h9hE:
34.7
4fu8A-1h9hE:
36.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1j17 TRYPSIN II, ANIONIC

(Rattus
norvegicus)
PF00089
(Trypsin)
4 HIS T  57
GLN T 192
GLY T 193
SER T 195
SO4  T 600 (-3.8A)
None
SO4  T 600 (-3.8A)
SO4  T 600 ( 2.6A)
0.73A 4fu8A-1j17T:
34.5
4fu8A-1j17T:
36.99
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.
1jsw L-ASPARTATE
AMMONIA-LYASE


(Escherichia
coli)
PF00206
(Lyase_1)
PF10415
(FumaraseC_C)
4 HIS A  26
TYR A 148
GLN A  99
GLY A 103
None
1.20A 4fu8A-1jswA:
undetectable
4fu8A-1jswA:
20.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kig FACTOR XA

(Bos taurus)
PF00089
(Trypsin)
4 HIS H  57
GLN H 192
GLY H 193
SER H 195
None
0.69A 4fu8A-1kigH:
32.4
4fu8A-1kigH:
33.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mbq TRYPSIN

(Oncorhynchus
keta)
PF00089
(Trypsin)
4 HIS A  57
GLN A 192
GLY A 193
SER A 195
None
None
None
BEN  A1222 (-3.5A)
0.60A 4fu8A-1mbqA:
33.9
4fu8A-1mbqA:
34.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1npm NEUROPSIN

(Mus musculus)
PF00089
(Trypsin)
4 HIS A  57
GLN A 192
GLY A 193
SER A 195
None
0.82A 4fu8A-1npmA:
33.4
4fu8A-1npmA:
35.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1o5f SERINE PROTEASE
HEPSIN


(Homo sapiens)
PF00089
(Trypsin)
4 HIS H  57
GLN H 192
GLY H 193
SER H 195
CR9  H 256 (-3.9A)
CR9  H 256 ( 4.4A)
None
CR9  H 256 (-1.5A)
0.39A 4fu8A-1o5fH:
35.8
4fu8A-1o5fH:
37.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pfx FACTOR IXA

(Sus scrofa)
PF00089
(Trypsin)
4 HIS C  57
GLN C 192
GLY C 193
SER C 195
0G6  C 301 (-2.5A)
None
0G6  C 301 (-3.9A)
0G6  C 301 (-1.4A)
0.38A 4fu8A-1pfxC:
32.0
4fu8A-1pfxC:
33.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pq5 TRYPSIN

(Fusarium
oxysporum)
PF00089
(Trypsin)
4 HIS A  56
GLN A 192
GLY A 193
SER A 195
ARG  A 703 (-4.3A)
ARG  A 703 (-3.1A)
ARG  A 703 (-3.6A)
ARG  A 703 (-2.3A)
0.89A 4fu8A-1pq5A:
34.2
4fu8A-1pq5A:
33.20
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.
1rvk ISOMERASE/LACTONIZIN
G ENZYME


(Agrobacterium
fabrum)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
4 HIS A 171
TYR A 339
GLY A 331
SER A 136
None
1.30A 4fu8A-1rvkA:
undetectable
4fu8A-1rvkA:
21.64
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.
1xf1 C5A PEPTIDASE

(Streptococcus
pyogenes)
PF00082
(Peptidase_S8)
PF02225
(PA)
PF06280
(fn3_5)
PF13585
(CHU_C)
4 TYR A 213
GLN A 494
GLY A 493
SER A 332
None
1.20A 4fu8A-1xf1A:
undetectable
4fu8A-1xf1A:
12.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ybw HEPATOCYTE GROWTH
FACTOR ACTIVATOR
PRECURSOR


(Homo sapiens)
PF00089
(Trypsin)
4 HIS A 447
GLN A 595
GLY A 596
SER A 598
None
0.72A 4fu8A-1ybwA:
34.4
4fu8A-1ybwA:
38.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ybw HEPATOCYTE GROWTH
FACTOR ACTIVATOR
PRECURSOR


(Homo sapiens)
PF00089
(Trypsin)
4 HIS A 447
TYR A 550
GLY A 596
SER A 598
None
NAG  A 741 ( 4.8A)
None
None
0.72A 4fu8A-1ybwA:
34.4
4fu8A-1ybwA:
38.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ym0 FIBRINOTIC ENZYME
COMPONENT B


(Eisenia fetida)
PF00089
(Trypsin)
4 HIS A  57
GLN A 192
GLY A 193
SER A 195
None
0.75A 4fu8A-1ym0A:
35.3
4fu8A-1ym0A:
32.95
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.
2bkl PROLYL ENDOPEPTIDASE

(Myxococcus
xanthus)
PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N)
4 HIS A 651
TYR A 530
GLY A 532
SER A 533
ZAH  A1533 (-4.7A)
None
None
ZAH  A1533 (-1.4A)
1.16A 4fu8A-2bklA:
undetectable
4fu8A-2bklA:
16.26
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.
2ebn ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE F1


(Elizabethkingia
meningoseptica)
PF00704
(Glyco_hydro_18)
4 TYR A 229
GLN A 262
GLY A 261
SER A 260
None
1.11A 4fu8A-2ebnA:
undetectable
4fu8A-2ebnA:
22.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2eek TRYPSIN-1

(Gadus morhua)
PF00089
(Trypsin)
4 HIS A  57
GLN A 192
GLY A 193
SER A 195
None
BEN  A 301 (-4.1A)
None
BEN  A 301 (-3.4A)
0.86A 4fu8A-2eekA:
15.5
4fu8A-2eekA:
35.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ei8 COAGULATION FACTOR
X, HEAVY CHAIN


(Homo sapiens)
PF00089
(Trypsin)
4 HIS A  57
GLN A 192
GLY A 193
SER A 195
None
DT8  A 700 (-3.9A)
None
DT8  A 700 ( 3.9A)
0.32A 4fu8A-2ei8A:
33.7
4fu8A-2ei8A:
33.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2f91 HEPATOPANCREAS
TRYPSIN


(Astacus
leptodactylus)
PF00089
(Trypsin)
4 HIS A  57
GLN A 192
GLY A 193
SER A 195
None
0.89A 4fu8A-2f91A:
36.6
4fu8A-2f91A:
34.78
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.
2g8y MALATE/L-LACTATE
DEHYDROGENASES


(Escherichia
coli)
PF02615
(Ldh_2)
4 HIS A 119
GLN A  66
GLY A  63
SER A  59
None
1.13A 4fu8A-2g8yA:
undetectable
4fu8A-2g8yA:
20.37
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.
2gmh ELECTRON TRANSFER
FLAVOPROTEIN-UBIQUIN
ONE OXIDOREDUCTASE


(Sus scrofa)
PF05187
(ETF_QO)
PF13450
(NAD_binding_8)
4 HIS A 312
GLN A 480
GLY A 479
SER A 482
None
1.00A 4fu8A-2gmhA:
undetectable
4fu8A-2gmhA:
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.
2i80 D-ALANINE-D-ALANINE
LIGASE


(Staphylococcus
aureus)
PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C)
4 HIS A  37
GLN A  86
GLY A  85
SER A  82
None
1.28A 4fu8A-2i80A:
undetectable
4fu8A-2i80A:
20.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oq5 TRANSMEMBRANE
PROTEASE, SERINE 11E


(Homo sapiens)
PF00089
(Trypsin)
4 HIS A  57
GLN A 192
GLY A 193
SER A 195
None
BEN  A 245 (-4.4A)
None
BEN  A 245 (-3.3A)
0.75A 4fu8A-2oq5A:
36.6
4fu8A-2oq5A:
35.63
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.
2pff FATTY ACID SYNTHASE
SUBUNIT BETA


(Saccharomyces
cerevisiae)
PF00698
(Acyl_transf_1)
PF16073
(SAT)
4 HIS B 428
GLN B 275
GLY B 276
SER B 274
None
1.25A 4fu8A-2pffB:
undetectable
4fu8A-2pffB:
5.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2psy KALLIKREIN-5

(Homo sapiens)
PF00089
(Trypsin)
4 HIS A  57
GLN A 192
GLY A 193
SER A 195
None
0.82A 4fu8A-2psyA:
34.0
4fu8A-2psyA:
35.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qy0 COMPLEMENT C1R
SUBCOMPONENT


(Homo sapiens)
PF00089
(Trypsin)
4 HIS B 485
GLN B 634
GLY B 635
SER B 637
None
0.56A 4fu8A-2qy0B:
30.6
4fu8A-2qy0B:
30.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2r0l HEPATOCYTE GROWTH
FACTOR ACTIVATOR


(Homo sapiens)
PF00089
(Trypsin)
4 HIS A  57
GLN A 192
GLY A 193
SER A 195
None
0.50A 4fu8A-2r0lA:
37.0
4fu8A-2r0lA:
38.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2r2w PLASMINOGEN
ACTIVATOR, UROKINASE


(Homo sapiens)
PF00089
(Trypsin)
4 HIS U  57
GLN U 192
GLY U 193
SER U 195
4PG  U 300 (-3.9A)
4PG  U 300 (-3.7A)
4PG  U 300 (-4.1A)
4PG  U 300 (-3.5A)
1.04A 4fu8A-2r2wU:
45.9
4fu8A-2r2wU:
99.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2r2w PLASMINOGEN
ACTIVATOR, UROKINASE


(Homo sapiens)
PF00089
(Trypsin)
4 HIS U  57
TYR U 151
GLY U 193
SER U 195
4PG  U 300 (-3.9A)
None
4PG  U 300 (-4.1A)
4PG  U 300 (-3.5A)
0.77A 4fu8A-2r2wU:
45.9
4fu8A-2r2wU:
99.19
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.
2vbf BRANCHED-CHAIN
ALPHA-KETOACID
DECARBOXYLASE


(Lactococcus
lactis)
PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
4 HIS A 423
TYR A 406
GLY A  58
SER A 414
HIS  A 423 ( 1.0A)
TYR  A 406 ( 1.3A)
GLY  A  58 ( 0.0A)
SER  A 414 ( 0.0A)
1.30A 4fu8A-2vbfA:
undetectable
4fu8A-2vbfA:
18.53
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.
2vbk TAILSPIKE-PROTEIN

(Shigella virus
Sf6)
PF12708
(Pectate_lyase_3)
4 HIS A 321
TYR A 356
GLN A 301
GLY A 324
None
1.31A 4fu8A-2vbkA:
undetectable
4fu8A-2vbkA:
21.00
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.
2wzr POLYPROTEIN

(Foot-and-mouth
disease virus)
PF00073
(Rhv)
4 TYR 3 125
GLN 3 182
GLY 3 183
SER 3 180
None
1.31A 4fu8A-2wzr3:
undetectable
4fu8A-2wzr3:
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.
2x1c ACYL-COENZYME

(Penicillium
chrysogenum)
PF03417
(AAT)
4 TYR A  94
GLN A 172
GLY A 173
SER A 227
None
1.18A 4fu8A-2x1cA:
undetectable
4fu8A-2x1cA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xe4 OLIGOPEPTIDASE B

(Leishmania
major)
PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N)
4 HIS A 312
TYR A 413
GLY A 309
SER A 311
PGR  A1744 (-3.8A)
PGR  A1757 (-4.8A)
PGR  A1744 (-3.5A)
PGR  A1744 ( 2.6A)
1.20A 4fu8A-2xe4A:
undetectable
4fu8A-2xe4A:
15.90
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.
2ywi HYPOTHETICAL
CONSERVED PROTEIN


(Geobacillus
kaustophilus)
PF00578
(AhpC-TSA)
4 TYR A 143
GLN A 146
GLY A 145
SER A  13
None
1.18A 4fu8A-2ywiA:
undetectable
4fu8A-2ywiA:
20.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2zec TRYPTASE BETA 2

(Homo sapiens)
PF00089
(Trypsin)
4 HIS A  59
GLN A 206
GLY A 207
SER A 209
None
None
None
11N  A   1 (-3.3A)
0.32A 4fu8A-2zecA:
34.2
4fu8A-2zecA:
35.80
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.
3ak5 HEMOGLOBIN-BINDING
PROTEASE HBP


(Escherichia
coli)
PF02395
(Peptidase_S6)
4 HIS A 125
TYR A 214
GLY A 257
SER A 259
None
1.06A 4fu8A-3ak5A:
13.9
4fu8A-3ak5A:
12.98
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.
3dmm T-CELL SURFACE
GLYCOPROTEIN CD8
ALPHA CHAIN


(Mus musculus)
PF07686
(V-set)
4 TYR C  55
GLN C  34
GLY C  35
SER C  58
None
1.20A 4fu8A-3dmmC:
undetectable
4fu8A-3dmmC:
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.
3edy TRIPEPTIDYL-PEPTIDAS
E 1


(Homo sapiens)
PF09286
(Pro-kuma_activ)
4 HIS A 298
GLN A 264
GLY A 262
SER A 294
None
0.92A 4fu8A-3edyA:
undetectable
4fu8A-3edyA:
16.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gym PROSTASIN

(Homo sapiens)
PF00089
(Trypsin)
4 HIS A  57
GLN A 192
GLY A 193
SER A 195
None
0.74A 4fu8A-3gymA:
34.2
4fu8A-3gymA:
36.43
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.
3h09 IMMUNOGLOBULIN A1
PROTEASE


(Haemophilus
influenzae)
PF02395
(Peptidase_S6)
PF03212
(Pertactin)
4 HIS A 100
TYR A 239
GLY A 286
SER A 288
ACT  A1900 (-4.1A)
None
ACT  A1900 (-3.5A)
ACT  A1900 (-2.6A)
1.13A 4fu8A-3h09A:
12.2
4fu8A-3h09A:
12.35
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.
3h2i ESTERASE

(Xanthomonas
oryzae)
PF03583
(LIP)
4 HIS A 377
TYR A 209
GLY A 207
SER A 176
None
1.27A 4fu8A-3h2iA:
undetectable
4fu8A-3h2iA:
20.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hty HYPOTHETICAL PROTEIN
BT_0869


(Bacteroides
thetaiotaomicron)
PF12702
(Lipocalin_3)
4 TYR A 111
GLN A  41
GLY A  42
SER A  53
None
1.27A 4fu8A-3htyA:
undetectable
4fu8A-3htyA:
15.92
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.
3hxk SUGAR HYDROLASE

(Lactococcus
lactis)
PF00326
(Peptidase_S9)
4 HIS A 231
TYR A  81
GLY A 129
SER A 127
None
1.26A 4fu8A-3hxkA:
undetectable
4fu8A-3hxkA:
21.05
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.
3iu4 CHP3 FAB HEAVY CHAIN

(Homo sapiens;
Mus musculus)
PF07654
(C1-set)
PF07686
(V-set)
4 HIS H  35
GLN H 100
GLY H  96
SER H  95
None
None
SO4  H 257 (-3.1A)
None
1.18A 4fu8A-3iu4H:
undetectable
4fu8A-3iu4H:
26.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ive NUCLEOTIDASE

(Escherichia
coli)
PF00149
(Metallophos)
PF02872
(5_nucleotid_C)
4 HIS A 112
TYR A 342
GLN A 219
GLY A 372
CTN  A 603 ( 3.8A)
None
None
CTN  A 603 (-3.2A)
1.28A 4fu8A-3iveA:
undetectable
4fu8A-3iveA:
18.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3naf CALCIUM-ACTIVATED
POTASSIUM CHANNEL
SUBUNIT
ALPHA-1,CALCIUM-ACTI
VATED POTASSIUM
CHANNEL SUBUNIT
ALPHA-1,CALCIUM-ACTI
VATED POTASSIUM
CHANNEL SUBUNIT
ALPHA-1


(Homo sapiens)
PF03493
(BK_channel_a)
4 TYR A1015
GLN A 501
GLY A 502
SER A 504
None
0.68A 4fu8A-3nafA:
undetectable
4fu8A-3nafA:
16.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s29 SUCROSE SYNTHASE 1

(Arabidopsis
thaliana)
PF00534
(Glycos_transf_1)
PF00862
(Sucrose_synth)
4 HIS A 499
GLN A 495
GLY A 494
SER A 498
None
0.82A 4fu8A-3s29A:
undetectable
4fu8A-3s29A:
14.93
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.
3s5w L-ORNITHINE
5-MONOOXYGENASE


(Pseudomonas
aeruginosa)
PF13434
(K_oxygenase)
4 HIS A 402
GLN A 395
GLY A 396
SER A 398
None
0.96A 4fu8A-3s5wA:
undetectable
4fu8A-3s5wA:
19.91
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.
3syj ADHESION AND
PENETRATION PROTEIN
AUTOTRANSPORTER


(Haemophilus
influenzae)
PF02395
(Peptidase_S6)
PF03212
(Pertactin)
4 HIS A  98
TYR A 200
GLY A 241
SER A 243
None
1.16A 4fu8A-3syjA:
5.3
4fu8A-3syjA:
13.42
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.
3sze SERINE PROTEASE ESPP

(Escherichia
coli)
PF02395
(Peptidase_S6)
4 HIS A 127
TYR A 225
GLN A 260
GLY A 261
None
1.27A 4fu8A-3szeA:
15.6
4fu8A-3szeA:
12.83
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.
3u6n HIGH-CONDUCTANCE
CA2+-ACTIVATED K+
CHANNEL PROTEIN


(Danio rerio)
PF02254
(TrkA_N)
PF03493
(BK_channel_a)
4 TYR A1019
GLN A 501
GLY A 502
SER A 504
None
0.77A 4fu8A-3u6nA:
undetectable
4fu8A-3u6nA:
17.47
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.
4b9y ALPHA-GLUCOSIDASE,
PUTATIVE, ADG31B


(Cellvibrio
japonicus)
PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16338
(DUF4968)
PF17137
(DUF5110)
4 HIS A 178
GLN A 187
GLY A 186
SER A 185
EDO  A1834 (-4.5A)
None
EDO  A1834 (-3.6A)
EDO  A1834 ( 4.1A)
1.12A 4fu8A-4b9yA:
undetectable
4fu8A-4b9yA:
15.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bmd S-M CHECKPOINT
CONTROL PROTEIN RAD4


(Schizosaccharomyces
pombe)
PF00533
(BRCT)
PF16589
(BRCT_2)
4 HIS A 322
GLN A 331
GLY A 330
SER A 326
None
0.91A 4fu8A-4bmdA:
undetectable
4fu8A-4bmdA:
21.26
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.
4bxw FACTOR XA

(Pseudonaja
textilis)
PF00089
(Trypsin)
PF14670
(FXa_inhibition)
4 HIS A 211
GLN A 359
GLY A 360
SER A 362
0GJ  A1411 (-2.8A)
0GJ  A1411 (-3.6A)
0GJ  A1411 (-3.8A)
0GJ  A1411 (-1.4A)
0.96A 4fu8A-4bxwA:
31.9
4fu8A-4bxwA:
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.
4db5 TUMOR NECROSIS
FACTOR LIGAND
SUPERFAMILY MEMBER
18


(Oryctolagus
cuniculus)
no annotation 4 TYR A  43
GLN A  39
GLY A  41
SER A 124
None
1.18A 4fu8A-4db5A:
undetectable
4fu8A-4db5A:
18.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dgj ENTEROPEPTIDASE
CATALYTIC LIGHT
CHAIN


(Homo sapiens)
PF00089
(Trypsin)
4 HIS A  41
GLN A 184
GLY A 185
SER A 187
None
1.04A 4fu8A-4dgjA:
36.7
4fu8A-4dgjA:
35.14
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.
4i4z NAPHTHOATE SYNTHASE

(Synechocystis
sp. PCC 6803)
PF00378
(ECH_1)
4 TYR A  87
GLN A  79
GLY A  77
SER A  75
2NE  A 301 (-4.3A)
2NE  A 301 (-3.7A)
2NE  A 301 (-3.7A)
2NE  A 301 (-3.1A)
1.28A 4fu8A-4i4zA:
undetectable
4fu8A-4i4zA:
22.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j05 PHOSPHATE
TRANSPORTER


(Serendipita
indica)
PF00083
(Sugar_tr)
4 TYR A 373
GLN A 177
GLY A 178
SER A 181
None
PO4  A 600 (-2.9A)
None
None
1.22A 4fu8A-4j05A:
undetectable
4fu8A-4j05A:
19.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m7g TRYPSIN-LIKE
PROTEASE


(Saccharopolyspora
erythraea)
PF00089
(Trypsin)
4 HIS A  42
GLN A 176
GLY A 177
SER A 179
None
0.90A 4fu8A-4m7gA:
33.8
4fu8A-4m7gA:
32.56
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.
4om9 SERINE PROTEASE PET

(Escherichia
coli)
PF02395
(Peptidase_S6)
4 HIS A  72
TYR A 166
GLY A 206
SER A 208
None
1.26A 4fu8A-4om9A:
15.0
4fu8A-4om9A:
12.97
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.
4q34 UNCHARACTERIZED
PROTEIN


(Parabacteroides
distasonis)
PF12697
(Abhydrolase_6)
4 HIS A 316
GLN A  75
GLY A  72
SER A 194
None
None
None
CL  A 401 ( 4.0A)
1.32A 4fu8A-4q34A:
undetectable
4fu8A-4q34A:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q6r SPHINGOSINE-1-PHOSPH
ATE LYASE 1


(Homo sapiens)
PF00282
(Pyridoxal_deC)
4 HIS A 484
TYR A 150
GLY A 147
SER A 146
None
LLP  A 353 (-3.8A)
SIN  A 901 ( 4.0A)
None
1.16A 4fu8A-4q6rA:
undetectable
4fu8A-4q6rA:
17.90
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.
4qww ACETYLCHOLINESTERASE

(Bungarus
fasciatus)
PF00135
(COesterase)
4 HIS A 440
TYR A 121
GLY A 119
SER A 200
None
1.30A 4fu8A-4qwwA:
undetectable
4fu8A-4qwwA:
18.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r0i SUPPRESSOR OF
TUMORIGENICITY 14
PROTEIN


(Homo sapiens)
PF00089
(Trypsin)
4 HIS A  57
GLN A 192
GLY A 193
SER A 195
3KM  A 900 ( 4.4A)
None
None
3KM  A 900 (-3.6A)
0.26A 4fu8A-4r0iA:
37.0
4fu8A-4r0iA:
33.72
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.
4xlg STRUCTURE-SPECIFIC
ENDONUCLEASE SUBUNIT
SLX1


([Candida]
glabrata)
PF01541
(GIY-YIG)
4 TYR A  26
GLN A  83
GLY A  28
SER A  29
None
1.26A 4fu8A-4xlgA:
undetectable
4fu8A-4xlgA:
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.
4zow MULTIDRUG
TRANSPORTER MDFA


(Escherichia
coli)
PF07690
(MFS_1)
4 TYR A  61
GLN A 115
GLY A 116
SER A 118
None
1.18A 4fu8A-4zowA:
undetectable
4fu8A-4zowA:
18.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5brr TISSUE-TYPE
PLASMINOGEN
ACTIVATOR


(Homo sapiens)
PF00089
(Trypsin)
4 HIS E  57
TYR E 151
GLN E 192
GLY E 193
None
GOL  E 301 ( 4.9A)
None
None
0.68A 4fu8A-5brrE:
38.2
4fu8A-5brrE:
45.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5by3 BTGH115A

(Bacteroides
thetaiotaomicron)
PF15979
(Glyco_hydro_115)
4 TYR A 118
GLN A  94
GLY A 115
SER A 111
None
1.32A 4fu8A-5by3A:
undetectable
4fu8A-5by3A:
14.72
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.
5c9j T-CELL SURFACE
GLYCOPROTEIN
CD1C,T-CELL SURFACE
GLYCOPROTEIN CD1B


(Homo sapiens)
PF07654
(C1-set)
PF16497
(MHC_I_3)
4 HIS A 211
GLN A 207
GLY A 198
SER A 196
None
1.23A 4fu8A-5c9jA:
undetectable
4fu8A-5c9jA:
22.88
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.
5eue PUTATIVE
SPHINGOSINE-1-PHOSPH
ATE LYASE


(Symbiobacterium
thermophilum)
PF00282
(Pyridoxal_deC)
4 HIS A 441
TYR A 105
GLY A 102
SER A 101
None
LLP  A 311 (-3.9A)
PO4  A 602 ( 3.8A)
None
1.20A 4fu8A-5eueA:
undetectable
4fu8A-5eueA:
18.15
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.
5jd8 PERIPLASMIC SERINE
PEPTIDASE DEGS


(Yersinia pestis)
PF13180
(PDZ_2)
PF13365
(Trypsin_2)
4 HIS A  96
GLN A 197
GLY A 198
SER A 200
None
0.47A 4fu8A-5jd8A:
5.7
4fu8A-5jd8A:
22.02
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.
5k1r BURKHOLDERIA
PSEUDOMALLEI
SPHINGOSINE-1-PHOSPH
ATE LYASE BPSS2021


(Burkholderia
pseudomallei)
PF00282
(Pyridoxal_deC)
4 HIS A 401
TYR A  58
GLY A  55
SER A  54
None
1.30A 4fu8A-5k1rA:
undetectable
4fu8A-5k1rA:
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.
5l44 K-26 DIPEPTIDYL
CARBOXYPEPTIDASE


(Astrosporangium
hypotensionis)
PF01432
(Peptidase_M3)
4 HIS A 279
GLN A 287
GLY A 602
SER A 600
None
1.27A 4fu8A-5l44A:
undetectable
4fu8A-5l44A:
14.53
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.
5l6f FAD LINKED
OXIDASE-LIKE PROTEIN


(Thermothelomyces
thermophila)
PF01565
(FAD_binding_4)
PF08031
(BBE)
4 HIS A 322
GLN A 283
GLY A 284
SER A 236
PEG  A 513 (-4.3A)
PEG  A 513 (-4.4A)
None
None
1.13A 4fu8A-5l6fA:
undetectable
4fu8A-5l6fA:
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.
5ms3 KALLIKREIN-8

(Homo sapiens)
no annotation 4 HIS A  57
GLN A 192
GLY A 193
SER A 195
None
0.68A 4fu8A-5ms3A:
33.9
4fu8A-5ms3A:
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.
5oi9 PUTATIVE
UNCHARACTERIZED
PROTEIN


(Trichoplax
adhaerens)
no annotation 4 TYR A 139
GLN A 323
GLY A 185
SER A 184
None
1.31A 4fu8A-5oi9A:
undetectable
4fu8A-5oi9A:
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.
5tpm PYRUVATE
DEHYDROGENASE
COMPLEX REPRESSOR


(Escherichia
coli)
PF07729
(FCD)
4 TYR A 189
GLN A 138
GLY A 141
SER A 140
None
1.30A 4fu8A-5tpmA:
undetectable
4fu8A-5tpmA:
18.70
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.
5vzt F-BOX ONLY PROTEIN
31


(Homo sapiens)
no annotation 4 HIS B 322
GLN B 342
GLY B 328
SER B 320
PO4  B 603 ( 4.0A)
None
None
None
1.16A 4fu8A-5vztB:
undetectable
4fu8A-5vztB:
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.
5x59 S PROTEIN

(Middle East
respiratory
syndrome-related
coronavirus)
PF01601
(Corona_S2)
PF09408
(Spike_rec_bind)
4 TYR A1142
GLN A1119
GLY A1120
SER A1114
None
1.27A 4fu8A-5x59A:
undetectable
4fu8A-5x59A:
10.57
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.
5y29 INSECT GROUP II
CHITINASE


(Ostrinia
furnacalis)
no annotation 4 TYR A1856
GLN A1858
GLY A1857
SER A1936
None
1.15A 4fu8A-5y29A:
undetectable
4fu8A-5y29A:
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.
5y2a INSECT GROUP II
CHITINASE


(Ostrinia
furnacalis)
no annotation 4 HIS A2262
GLN A2305
GLY A2304
SER A2373
None
1.31A 4fu8A-5y2aA:
undetectable
4fu8A-5y2aA:
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.
5y2a INSECT GROUP II
CHITINASE


(Ostrinia
furnacalis)
no annotation 4 TYR A2303
GLN A2305
GLY A2304
SER A2373
None
1.18A 4fu8A-5y2aA:
undetectable
4fu8A-5y2aA:
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.
5y9c MAJOR CAPSID PROTEIN
L1


(Alphapapillomavirus
9)
no annotation 4 TYR A  36
GLN A 372
GLY A  38
SER A  39
None
0.84A 4fu8A-5y9cA:
undetectable
4fu8A-5y9cA:
18.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b74 COAGULATION FACTOR
XII


(Homo sapiens)
no annotation 5 HIS B  57
TYR B 151
GLN B 192
GLY B 193
SER B 195
SO4  B 304 (-3.8A)
None
SO4  B 304 (-4.4A)
SO4  B 304 (-3.7A)
SO4  B 304 ( 2.5A)
0.43A 4fu8A-6b74B:
37.0
4fu8A-6b74B:
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.
6c8a INOSITOL
POLYPHOSPHATE
MULTIKINASE


(Homo sapiens)
no annotation 4 HIS A 216
TYR A 198
GLY A 210
SER A 212
None
1.24A 4fu8A-6c8aA:
undetectable
4fu8A-6c8aA:
undetectable