SIMILAR PATTERNS OF AMINO ACIDS FOR 4TWD_A_377A401_1

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.
1ni6 HEME OXYGENASE 1

(Homo sapiens) 		PF01126
(Heme_oxygenase) 		4 GLU A  66
GLU A  62
TYR A 137
TYR A  78
 None
 1.14A 4twdA-1ni6A:
undetectable
4twdE-1ni6A:
undetectable		 4twdA-1ni6A:
21.04
4twdE-1ni6A:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r03 MITOCHONDRIAL
FERRITIN

(Homo sapiens) 		PF00210
(Ferritin) 		4 GLU A 107
GLU A 147
TYR A  54
TYR A  34
 None
 1.41A 4twdA-1r03A:
3.6
4twdE-1r03A:
3.5		 4twdA-1r03A:
20.79
4twdE-1r03A:
20.79
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.
1r03 MITOCHONDRIAL
FERRITIN

(Homo sapiens) 		PF00210
(Ferritin) 		4 GLU A 147
GLU A 107
TYR A  34
TYR A  54
 None
 1.31A 4twdA-1r03A:
3.6
4twdE-1r03A:
3.5		 4twdA-1r03A:
20.79
4twdE-1r03A:
20.79
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.
1zjc AMINOPEPTIDASE AMPS

(Staphylococcus
aureus) 		PF02073
(Peptidase_M29) 		4 GLU A 343
GLU A 319
TYR A 355
PHE A 255
 CO  A 503 (-2.2A)
CO  A 501 ( 2.6A)
CO  A 502 (-4.9A)
CO  A 501 ( 4.9A)
 1.13A 4twdA-1zjcA:
0.0
4twdE-1zjcA:
0.0		 4twdA-1zjcA:
21.75
4twdE-1zjcA:
21.75
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.
2bzn GMP REDUCTASE 2

(Homo sapiens) 		PF00478
(IMPDH) 		4 GLU A 204
GLU A 163
TYR A 134
TYR A 196
 None
 1.33A 4twdA-2bznA:
0.0
4twdE-2bznA:
undetectable		 4twdA-2bznA:
18.84
4twdE-2bznA:
18.84
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.
2dyl DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 7

(Homo sapiens) 		PF00069
(Pkinase) 		4 GLU A 220
GLU A 330
TYR A 299
PHE A 336
 None
 1.36A 4twdA-2dylA:
1.5
4twdE-2dylA:
1.6		 4twdA-2dylA:
20.54
4twdE-2dylA:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rp5 PUTATIVE
UNCHARACTERIZED
PROTEIN CEP-1

(Caenorhabditis
elegans) 		no annotation 4 GLU A 607
TYR A 634
PHE A 606
TYR A 542
 None
 1.35A 4twdA-2rp5A:
undetectable
4twdE-2rp5A:
undetectable		 4twdA-2rp5A:
16.25
4twdE-2rp5A:
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.
3abz BETA-GLUCOSIDASE I

(Kluyveromyces
marxianus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF07691
(PA14)
PF14310
(Fn3-like) 		4 GLU A 839
GLU A 813
TYR A 802
TYR A 841
 None
 1.15A 4twdA-3abzA:
3.1
4twdE-3abzA:
3.0		 4twdA-3abzA:
16.81
4twdE-3abzA:
16.81
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.
3edy TRIPEPTIDYL-PEPTIDAS
E 1

(Homo sapiens) 		PF09286
(Pro-kuma_activ) 		4 GLU A 302
TYR A 325
PHE A 230
TYR A 336
 None
 1.25A 4twdA-3edyA:
0.0
4twdE-3edyA:
0.0		 4twdA-3edyA:
19.29
4twdE-3edyA:
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.
3ibx PUTATIVE THIAMINASE
II

(Helicobacter
pylori) 		PF03070
(TENA_THI-4) 		4 GLU A 207
TYR A 112
PHE A 210
TYR A  51
 None
 1.26A 4twdA-3ibxA:
2.5
4twdE-3ibxA:
2.3		 4twdA-3ibxA:
20.50
4twdE-3ibxA:
20.50
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.
3rm5 HYDROXYMETHYLPYRIMID
INE/PHOSPHOMETHYLPYR
IMIDINE KINASE THI20

(Saccharomyces
cerevisiae) 		PF03070
(TENA_THI-4)
PF08543
(Phos_pyr_kin) 		4 GLU A 540
TYR A 445
PHE A 543
TYR A 383
 None
 0.99A 4twdA-3rm5A:
3.3
4twdE-3rm5A:
3.3		 4twdA-3rm5A:
16.91
4twdE-3rm5A:
16.91
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.
3tgl TRIACYL-GLYCEROL
ACYLHYDROLASE

(Rhizomucor
miehei) 		PF01764
(Lipase_3) 		4 GLU A  13
GLU A  16
TYR A 172
TYR A 222
 None
 1.22A 4twdA-3tglA:
undetectable
4twdE-3tglA:
0.0		 4twdA-3tglA:
21.58
4twdE-3tglA:
21.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3viu PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE 2

(Thermus
thermophilus) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		4 GLU A 656
GLU A 578
TYR A 162
TYR A 453
 None
 1.13A 4twdA-3viuA:
0.0
4twdE-3viuA:
0.0		 4twdA-3viuA:
17.84
4twdE-3viuA:
17.84
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.
3wnw FERRITIN HEAVY CHAIN

(Mus musculus) 		PF00210
(Ferritin) 		4 GLU A 107
GLU A 147
TYR A  54
TYR A  34
 None
 1.34A 4twdA-3wnwA:
3.7
4twdE-3wnwA:
3.6		 4twdA-3wnwA:
19.05
4twdE-3wnwA:
19.05
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.
3wnw FERRITIN HEAVY CHAIN

(Mus musculus) 		PF00210
(Ferritin) 		4 GLU A 147
GLU A 107
TYR A  34
TYR A  54
 None
 1.27A 4twdA-3wnwA:
3.7
4twdE-3wnwA:
3.6		 4twdA-3wnwA:
19.05
4twdE-3wnwA:
19.05
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.
4c7w HEMAGGLUTININ-ESTERA
SE

(Murine
coronavirus) 		PF02710
(Hema_HEFG)
PF03996
(Hema_esterase) 		4 GLU A 106
TYR A 135
PHE A 104
TYR A  95
 None
 1.38A 4twdA-4c7wA:
0.0
4twdE-4c7wA:
0.0		 4twdA-4c7wA:
20.26
4twdE-4c7wA:
20.26
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.
4hoo LYSINE-SPECIFIC
DEMETHYLASE 4D

(Homo sapiens) 		PF02373
(JmjC)
PF02375
(JmjN) 		4 GLU A  39
TYR A 199
PHE A 275
TYR A 303
 None
 1.46A 4twdA-4hooA:
undetectable
4twdE-4hooA:
undetectable		 4twdA-4hooA:
20.35
4twdE-4hooA:
20.35
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.
4icq AMINOPEPTIDASE PEPS

(Streptococcus
pneumoniae) 		PF02073
(Peptidase_M29) 		4 GLU A 343
GLU A 319
TYR A 355
PHE A 255
 ZN  A 502 ( 4.2A)
ZN  A 502 ( 2.5A)
ZN  A 501 (-4.8A)
None
 1.12A 4twdA-4icqA:
undetectable
4twdE-4icqA:
undetectable		 4twdA-4icqA:
22.25
4twdE-4icqA:
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.
4lxl LYSINE-SPECIFIC
DEMETHYLASE 4B

(Homo sapiens) 		PF02373
(JmjC)
PF02375
(JmjN) 		4 GLU A  36
TYR A 196
PHE A 272
TYR A 300
 None
 1.50A 4twdA-4lxlA:
undetectable
4twdE-4lxlA:
undetectable		 4twdA-4lxlA:
20.57
4twdE-4lxlA:
20.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mad BETA-GALACTOSIDASE

(Bacillus
circulans) 		PF01301
(Glyco_hydro_35) 		4 GLU A 233
TYR A 299
PHE A 239
TYR A  52
 None
 1.44A 4twdA-4madA:
undetectable
4twdE-4madA:
undetectable		 4twdA-4madA:
19.22
4twdE-4madA:
19.22
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.
4n4k HYDROXYLAMINE
OXIDOREDUCTASE

(Candidatus
Kuenenia
stuttgartiensis) 		PF13447
(Multi-haem_cyto) 		4 GLU A 219
GLU A 218
TYR A  70
TYR A 498
 None
 0.78A 4twdA-4n4kA:
1.5
4twdE-4n4kA:
1.9		 4twdA-4n4kA:
21.08
4twdE-4n4kA:
21.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4twf CYS-LOOP
LIGAND-GATED ION
CHANNEL

(Dickeya
chrysanthemi) 		PF02931
(Neur_chan_LBD) 		4 GLU A  77
GLU A 131
TYR A 175
PHE A 188
 BR7  A 401 ( 4.9A)
BR7  A 401 (-4.1A)
BR7  A 401 (-3.9A)
BR7  A 401 (-3.9A)
 0.32A 4twdA-4twfA:
34.7
4twdE-4twfA:
34.1		 4twdA-4twfA:
100.00
4twdE-4twfA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4yeu CYS-LOOP
LIGAND-GATED ION
CHANNEL,PROTON-GATED
ION CHANNEL

(Dickeya
chrysanthemi;
Gloeobacter
violaceus) 		PF02931
(Neur_chan_LBD) 		4 GLU A  77
GLU A 131
TYR A 175
PHE A 188
 None
 0.58A 4twdA-4yeuA:
29.5
4twdE-4yeuA:
29.6		 4twdA-4yeuA:
71.25
4twdE-4yeuA:
71.25
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.
5a08 PROBABLE
MANNOSYLTRANSFERASE
KTR4

(Saccharomyces
cerevisiae) 		PF01793
(Glyco_transf_15) 		4 GLU A 311
GLU A 312
TYR A 370
PHE A 309
 None
 1.41A 4twdA-5a08A:
undetectable
4twdE-5a08A:
undetectable		 4twdA-5a08A:
20.37
4twdE-5a08A:
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.
5c3c CBBQ/NIRQ/NORQ
DOMAIN PROTEIN

(Halothiobacillus
neapolitanus) 		PF07728
(AAA_5)
PF08406
(CbbQ_C) 		4 GLU A  24
GLU A  22
TYR A  16
PHE A  49
 None
None
ADP  A 301 (-3.6A)
None
 1.44A 4twdA-5c3cA:
undetectable
4twdE-5c3cA:
undetectable		 4twdA-5c3cA:
19.45
4twdE-5c3cA:
19.45
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.
5oen INTERFERON
REGULATORY FACTOR 9

(Mus musculus) 		no annotation 4 GLU A 298
GLU A 315
PHE A 283
TYR A 321
 None
 1.48A 4twdA-5oenA:
undetectable
4twdE-5oenA:
undetectable		 4twdA-5oenA:
13.64
4twdE-5oenA:
13.64
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.
5u9o PLASTID DIVISION
PROTEIN CDP1,
CHLOROPLASTIC,PLASTI
D DIVISION PROTEIN
PDV1

(Arabidopsis
thaliana) 		no annotation 4 GLU A 775
GLU A 701
TYR A 798
TYR A 794
 None
 1.26A 4twdA-5u9oA:
undetectable
4twdE-5u9oA:
undetectable		 4twdA-5u9oA:
13.36
4twdE-5u9oA:
13.36
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.
5zib -

(-) 		no annotation 4 GLU A 606
TYR A 566
PHE A 607
TYR A 602
 None
 1.40A 4twdA-5zibA:
undetectable
4twdE-5zibA:
undetectable		 4twdA-5zibA:
undetectable
4twdE-5zibA:
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.
6ewj PUTATIVE CAPSULAR
POLYSACCHARIDE
BIOSYNTHESIS PROTEIN

(Streptococcus
pneumoniae) 		no annotation 4 GLU A 130
GLU A 109
TYR A 112
TYR A 138
 None
 1.48A 4twdA-6ewjA:
undetectable
4twdE-6ewjA:
undetectable		 4twdA-6ewjA:
13.16
4twdE-6ewjA:
13.16