SIMILAR PATTERNS OF AMINO ACIDS FOR 1VE3_B_SAMB301_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.
1js4 ENDO/EXOCELLULASE E4

(Thermobifida
fusca) 		PF00759
(Glyco_hydro_9)
PF00942
(CBM_3) 		4 TYR A 429
ARG A 317
ASP A  58
ASP A 120
 None
BGC  A6003 (-2.7A)
None
None
 1.42A 1ve3B-1js4A:
undetectable		 1ve3B-1js4A:
16.22
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.
1k72 ENDOGLUCANASE 9G

([Clostridium]
cellulolyticum) 		PF00759
(Glyco_hydro_9)
PF00942
(CBM_3) 		4 TYR A 425
ARG A 315
ASP A  58
ASP A 120
 None
None
CBI  A 777 ( 4.2A)
None
 1.40A 1ve3B-1k72A:
0.0		 1ve3B-1k72A:
14.03
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.
1uok OLIGO-1,6-GLUCOSIDAS
E

(Bacillus cereus) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		4 TYR A  15
ARG A 419
ASP A  64
ASP A 106
 None
 1.37A 1ve3B-1uokA:
0.0		 1ve3B-1uokA:
17.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ve3 HYPOTHETICAL PROTEIN
PH0226

(Pyrococcus
horikoshii) 		PF13649
(Methyltransf_25) 		4 TYR A  21
ARG A  24
ASP A  67
ASP A  93
 SAM  A 302 (-4.7A)
SAM  A 302 (-3.1A)
SAM  A 302 (-2.8A)
SAM  A 302 (-3.4A)
 0.10A 1ve3B-1ve3A:
35.3		 1ve3B-1ve3A:
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.
2b81 LUCIFERASE-LIKE
MONOOXYGENASE

(Bacillus cereus) 		PF00296
(Bac_luciferase) 		4 TYR A 216
ARG A 219
ASP A 135
ASP A  67
 SO4  A2448 (-4.5A)
SO4  A2448 (-3.5A)
None
None
 1.29A 1ve3B-2b81A:
0.4		 1ve3B-2b81A:
22.62
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.
3ouh EGL NINE HOMOLOG 1

(Homo sapiens) 		PF13640
(2OG-FeII_Oxy_3) 		4 TYR A 303
ARG A 383
ASP A 315
ASP A 369
 None
014  A 417 (-3.1A)
FE2  A 600 ( 2.5A)
None
 1.31A 1ve3B-3ouhA:
0.0		 1ve3B-3ouhA:
21.97
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.
3oui EGL NINE HOMOLOG 1

(Homo sapiens) 		PF13640
(2OG-FeII_Oxy_3) 		4 TYR A 303
ARG A 383
ASP A 315
ASP A 369
 None
42Z  A 393 (-2.9A)
FE2  A   1 ( 2.5A)
None
 1.31A 1ve3B-3ouiA:
0.0		 1ve3B-3ouiA:
20.40
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.
3tht ALKYLATED DNA REPAIR
PROTEIN ALKB HOMOLOG
8

(Homo sapiens) 		PF00076
(RRM_1)
PF13532
(2OG-FeII_Oxy_2) 		4 TYR A 229
ARG A 328
ASP A 240
ASP A 247
 AKG  A 403 (-4.4A)
AKG  A 403 (-3.2A)
MN  A 402 ( 2.6A)
None
 1.29A 1ve3B-3thtA:
0.0		 1ve3B-3thtA:
20.18
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.
4qny MITOGEN ACTIVATED
PROTEIN KINASE,
PUTATIVE

(Leishmania
donovani) 		PF00069
(Pkinase) 		4 TYR A  21
ARG A  20
ASP A 105
ASP A  80
 None
 1.37A 1ve3B-4qnyA:
2.6		 1ve3B-4qnyA:
19.89
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.
4wjl INACTIVE DIPEPTIDYL
PEPTIDASE 10

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 TYR A 477
ARG A 450
ASP A 600
ASP A 626
 None
 1.48A 1ve3B-4wjlA:
undetectable		 1ve3B-4wjlA:
16.85
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.
5gy0 GLUCANASE

(Ruminiclostridium
thermocellum) 		PF00759
(Glyco_hydro_9)
PF00942
(CBM_3) 		4 TYR A 440
ARG A 329
ASP A  79
ASP A 140
 None
BGC  A 709 ( 2.8A)
BGC  A 710 ( 4.5A)
None
 1.43A 1ve3B-5gy0A:
undetectable		 1ve3B-5gy0A:
16.18
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.
5jm0 ALPHA-MANNOSIDASE,AL
PHA-MANNOSIDASE,ALPH
A-MANNOSIDASE

(Saccharomyces
cerevisiae) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		4 TYR A 858
ARG A 867
ASP A 376
ASP A 411
 None
 1.40A 1ve3B-5jm0A:
1.2		 1ve3B-5jm0A:
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.
5jm0 ALPHA-MANNOSIDASE,AL
PHA-MANNOSIDASE,ALPH
A-MANNOSIDASE

(Saccharomyces
cerevisiae) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		4 TYR A 858
ARG A 867
ASP A 376
ASP A 627
 None
 1.29A 1ve3B-5jm0A:
1.2		 1ve3B-5jm0A:
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.
5mzo UDP-GLUCOSE-GLYCOPRO
TEIN
GLUCOSYLTRANSFERASE-
LIKE PROTEIN

(Chaetomium
thermophilum) 		PF06427
(UDP-g_GGTase) 		4 TYR A 960
ARG A 958
ASP A 362
ASP A 880
 None
 1.38A 1ve3B-5mzoA:
2.0		 1ve3B-5mzoA:
10.93
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.
5ogl UNDECAPRENYL-DIPHOSP
HOOLIGOSACCHARIDE--P
ROTEIN
GLYCOTRANSFERASE

(Campylobacter
lari) 		no annotation 4 TYR A 468
ARG A 471
ASP A 489
ASP A 525
 9UB  A 803 (-4.7A)
None
None
None
 1.48A 1ve3B-5oglA:
3.5		 1ve3B-5oglA:
14.31
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.
5tsq IUNH

(Leishmania
braziliensis) 		PF01156
(IU_nuc_hydro) 		4 TYR A 229
ARG A 233
ASP A 241
ASP A   8
 None
None
BDR  A 402 ( 2.5A)
None
 1.30A 1ve3B-5tsqA:
3.3		 1ve3B-5tsqA:
20.67