SIMILAR PATTERNS OF AMINO ACIDS FOR 4TWD_H_377H402_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.
1ebp EPO RECEPTOR

(Homo sapiens) 		PF00041
(fn3)
PF09067
(EpoR_lig-bind) 		4 TYR A 109
GLU A  24
GLU A  42
TYR A  53
 None
 1.34A 4twdH-1ebpA:
0.8
4twdI-1ebpA:
1.6		 4twdH-1ebpA:
22.46
4twdI-1ebpA:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 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 TYR A 196
GLU A 204
GLU A 163
TYR A 134
 None
 1.33A 4twdH-2bznA:
undetectable
4twdI-2bznA:
undetectable		 4twdH-2bznA:
18.84
4twdI-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
 1.31A 4twdH-2dylA:
undetectable
4twdI-2dylA:
0.0		 4twdH-2dylA:
20.54
4twdI-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.
2f07 YVDT

(Bacillus
subtilis) 		PF00440
(TetR_N) 		4 TYR A 106
GLU A 164
GLU A 160
TYR A 122
 BTB  A 289 (-4.8A)
BTB  A 289 (-4.0A)
BTB  A 289 (-3.3A)
BTB  A 289 (-3.8A)
 1.06A 4twdH-2f07A:
1.9
4twdI-2f07A:
undetectable		 4twdH-2f07A:
19.74
4twdI-2f07A:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f07 YVDT

(Bacillus
subtilis) 		PF00440
(TetR_N) 		4 TYR A 122
GLU A 160
GLU A 164
TYR A 106
 BTB  A 289 (-3.8A)
BTB  A 289 (-3.3A)
BTB  A 289 (-4.0A)
BTB  A 289 (-4.8A)
 1.19A 4twdH-2f07A:
1.9
4twdI-2f07A:
undetectable		 4twdH-2f07A:
19.74
4twdI-2f07A:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3abz BETA-GLUCOSIDASE I

(Kluyveromyces
marxianus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF07691
(PA14)
PF14310
(Fn3-like) 		4 TYR A 841
GLU A 839
GLU A 813
TYR A 802
 None
 1.16A 4twdH-3abzA:
2.5
4twdI-3abzA:
2.3		 4twdH-3abzA:
16.81
4twdI-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.
3of7 REGULATOR OF
CHROMOSOME
CONDENSATION

(Saccharomyces
cerevisiae) 		PF00415
(RCC1)
PF13540
(RCC1_2) 		4 GLU A 163
GLU A 185
TYR A 187
PHE A 181
 None
 1.46A 4twdH-3of7A:
0.0
4twdI-3of7A:
0.0		 4twdH-3of7A:
21.12
4twdI-3of7A:
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.
3viu PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE 2

(Thermus
thermophilus) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		4 TYR A 453
GLU A 656
GLU A 578
TYR A 162
 None
 1.09A 4twdH-3viuA:
0.0
4twdI-3viuA:
0.0		 4twdH-3viuA:
17.84
4twdI-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 TYR A  34
GLU A 107
GLU A 147
TYR A  54
 None
 1.35A 4twdH-3wnwA:
undetectable
4twdI-3wnwA:
undetectable		 4twdH-3wnwA:
19.05
4twdI-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 TYR A  54
GLU A 147
GLU A 107
TYR A  34
 None
 1.33A 4twdH-3wnwA:
undetectable
4twdI-3wnwA:
undetectable		 4twdH-3wnwA:
19.05
4twdI-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.
4as3 PHOSPHORYLCHOLINE
PHOSPHATASE

(Pseudomonas
aeruginosa) 		no annotation 4 TYR A  83
GLU A  43
GLU A  42
PHE A 102
 None
BTB  A1332 ( 3.4A)
BTB  A1330 ( 4.6A)
None
 1.41A 4twdH-4as3A:
0.0
4twdI-4as3A:
0.0		 4twdH-4as3A:
21.90
4twdI-4as3A:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c7w HEMAGGLUTININ-ESTERA
SE

(Murine
coronavirus) 		PF02710
(Hema_HEFG)
PF03996
(Hema_esterase) 		4 TYR A  95
GLU A 106
TYR A 135
PHE A 104
 None
 1.42A 4twdH-4c7wA:
0.0
4twdI-4c7wA:
undetectable		 4twdH-4c7wA:
20.26
4twdI-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 TYR A 303
GLU A  39
TYR A 199
PHE A 275
 None
 1.46A 4twdH-4hooA:
0.0
4twdI-4hooA:
0.0		 4twdH-4hooA:
20.35
4twdI-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.
4i1a RESPONSE REGULATOR
ASPARTATE
PHOSPHATASE I

(Bacillus
subtilis) 		PF13424
(TPR_12) 		4 GLU A 236
GLU A 343
TYR A 271
PHE A 340
 None
 1.39A 4twdH-4i1aA:
undetectable
4twdI-4i1aA:
undetectable		 4twdH-4i1aA:
21.22
4twdI-4i1aA:
21.22
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.
4lxl LYSINE-SPECIFIC
DEMETHYLASE 4B

(Homo sapiens) 		PF02373
(JmjC)
PF02375
(JmjN) 		4 TYR A 300
GLU A  36
TYR A 196
PHE A 272
 None
 1.49A 4twdH-4lxlA:
0.0
4twdI-4lxlA:
undetectable		 4twdH-4lxlA:
20.57
4twdI-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 TYR A  52
GLU A 233
TYR A 299
PHE A 239
 None
 1.45A 4twdH-4madA:
undetectable
4twdI-4madA:
undetectable		 4twdH-4madA:
19.22
4twdI-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 TYR A 498
GLU A 219
GLU A 218
TYR A  70
 None
 0.82A 4twdH-4n4kA:
undetectable
4twdI-4n4kA:
undetectable		 4twdH-4n4kA:
21.08
4twdI-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)
 0.35A 4twdH-4twfA:
34.3
4twdI-4twfA:
34.0		 4twdH-4twfA:
100.00
4twdI-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
 0.64A 4twdH-4yeuA:
29.5
4twdI-4yeuA:
29.5		 4twdH-4yeuA:
71.25
4twdI-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
 1.42A 4twdH-5a08A:
undetectable
4twdI-5a08A:
undetectable		 4twdH-5a08A:
20.37
4twdI-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 4twdH-5c3cA:
undetectable
4twdI-5c3cA:
undetectable		 4twdH-5c3cA:
19.45
4twdI-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.
5u9o PLASTID DIVISION
PROTEIN CDP1,
CHLOROPLASTIC,PLASTI
D DIVISION PROTEIN
PDV1

(Arabidopsis
thaliana) 		no annotation 4 TYR A 794
GLU A 775
GLU A 701
TYR A 798
 None
 1.21A 4twdH-5u9oA:
undetectable
4twdI-5u9oA:
undetectable		 4twdH-5u9oA:
13.36
4twdI-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 TYR A 602
GLU A 606
TYR A 566
PHE A 607
 None
 1.37A 4twdH-5zibA:
undetectable
4twdI-5zibA:
undetectable		 4twdH-5zibA:
undetectable
4twdI-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.
5zic -

(-) 		no annotation 4 TYR A 602
GLU A 606
TYR A 566
PHE A 607
 None
 1.35A 4twdH-5zicA:
undetectable
4twdI-5zicA:
undetectable		 4twdH-5zicA:
undetectable
4twdI-5zicA:
undetectable