SIMILAR PATTERNS OF AMINO ACIDS FOR 3BWC_A_SAMA501_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.
1gg4 UDP-N-ACETYLMURAMOYL
ALANYL-D-GLUTAMYL-2,
6-DIAMINOPIMELATE-D-
ALANYL-D-ALANYL
LIGASE

(Escherichia
coli) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		4 LEU A  65
GLN A  77
ASP A  55
ASP A  72
 None
 1.36A 3bwcA-1gg4A:
3.2		 3bwcA-1gg4A:
21.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3anx SPERMIDINE SYNTHASE

(Thermus
thermophilus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 LEU A  49
GLN A  54
ASP A 108
ASP A 158
 MTA  A 315 ( 4.4A)
MTA  A 315 (-2.4A)
MTA  A 315 (-3.3A)
MTA  A 315 (-4.9A)
 1.02A 3bwcA-3anxA:
32.3		 3bwcA-3anxA:
34.03
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.
3t6w LACCASE

(Steccherinum
ochraceum) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 LEU A  59
GLN A 116
ASP A 460
ASP A 456
 None
 1.40A 3bwcA-3t6wA:
0.0		 3bwcA-3t6wA:
20.73
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.
3wrf NON-REDUCING END
BETA-L-ARABINOFURANO
SIDASE

(Bifidobacterium
longum) 		PF07944
(Glyco_hydro_127) 		4 LEU A 598
GLN A 595
ASP A 571
ASP A 606
 None
 1.35A 3bwcA-3wrfA:
0.0		 3bwcA-3wrfA:
18.61
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.
4bbw SIALIDASE
(NEURAMINIDASE)

(Bacteroides
thetaiotaomicron) 		PF13088
(BNR_2)
PF14873
(BNR_assoc_N) 		4 LEU A 346
GLN A 347
ASP A 229
ASP A 221
 None
 1.05A 3bwcA-4bbwA:
0.0		 3bwcA-4bbwA:
20.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4yv2 SPERMIDINE SYNTHASE,
PUTATIVE

(Trypanosoma
cruzi) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 LEU A  59
GLN A  64
ASP A 118
ASP A 168
 None
S4M  A 301 (-4.2A)
S4M  A 301 (-3.0A)
S4M  A 301 (-3.1A)
 0.29A 3bwcA-4yv2A:
46.7		 3bwcA-4yv2A:
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.
6bq6 THERMOSPERMINE
SYNTHASE

(Medicago
truncatula) 		no annotation 4 LEU A  70
GLN A  75
ASP A 129
ASP A 178
 None
TER  A 402 ( 4.9A)
TER  A 402 ( 4.4A)
TER  A 402 (-4.1A)
 0.79A 3bwcA-6bq6A:
32.0		 3bwcA-6bq6A:
undetectable