SIMILAR PATTERNS OF AMINO ACIDS FOR 3HCD_B_LNRB2002

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.
1n7j PHENYLETHANOLAMINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF01234
(NNMT_PNMT_TEMT) 		12 TYR A  35
ASN A  39
TYR A  40
ARG A  44
VAL A  53
LYS A  57
PHE A 182
GLU A 219
TYR A 222
MET A 258
ASP A 267
VAL A 269
 SAH  A2002 ( 4.4A)
IDI  A3003 ( 3.9A)
SAH  A2002 (-4.6A)
IDI  A3003 (-4.1A)
IDI  A3003 ( 4.6A)
IDI  A3003 ( 4.1A)
IDI  A3003 ( 3.4A)
IDI  A3003 (-3.1A)
IDI  A3003 (-3.8A)
IDI  A3003 (-4.2A)
IDI  A3003 (-3.8A)
None
 0.37A 3hcdB-1n7jA:
46.9		 3hcdB-1n7jA:
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.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)

(Bradyrhizobium
elkanii) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 ARG A 309
VAL A 256
MET A 281
ASP A 305
VAL A 301
 None
 1.45A 3hcdB-4lvcA:
1.8		 3hcdB-4lvcA:
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.
4nzr PROTEIN M TD

(Mycoplasma
genitalium) 		no annotation 5 TYR M 163
ASN M 165
ARG M 167
TYR M 338
ASP M 339
 None
 1.43A 3hcdB-4nzrM:
2.7		 3hcdB-4nzrM:
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.
5wvb CHITINASE

(Ostrinia
furnacalis) 		no annotation 5 TYR A 340
ASN A 298
VAL A 397
TYR A 285
VAL A 316
 NAG  A 505 (-4.1A)
None
None
NAG  A 504 (-4.5A)
None
 1.33A 3hcdB-5wvbA:
0.8		 3hcdB-5wvbA:
16.92
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.
5wvg CHITINASE

(Ostrinia
furnacalis) 		no annotation 5 TYR A 770
ASN A 728
VAL A 828
TYR A 715
VAL A 746
 NAG  A1002 (-4.2A)
None
None
NAG  A1003 (-4.5A)
None
 1.34A 3hcdB-5wvgA:
0.8		 3hcdB-5wvgA:
14.44