SIMILAR PATTERNS OF AMINO ACIDS FOR 4KYS_A_VIBA501_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.
3n9v TYPE II
INOSITOL-1,4,5-TRISP
HOSPHATE
5-PHOSPHATASE

(Homo sapiens) 		PF03372
(Exo_endo_phos) 		5 THR A 486
GLU A 493
TYR A 450
ASP A 476
LEU A 496
 None
 1.15A 4kysA-3n9vA:
0.0		 4kysA-3n9vA:
20.19
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.
4hcy THIAMINASE-I

(Naegleria
gruberi) 		no annotation 5 ASP A  68
TYR A 230
TYR A 260
ASP A 262
LEU A  16
 0YN  A 401 (-3.5A)
0YN  A 401 (-3.9A)
0YN  A 401 ( 4.1A)
0YN  A 401 (-2.9A)
None
 1.33A 4kysA-4hcyA:
32.7		 4kysA-4hcyA:
23.57
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.
4hcy THIAMINASE-I

(Naegleria
gruberi) 		no annotation 6 TYR A  53
ASP A  68
TYR A 230
GLU A 232
TYR A 260
ASP A 262
 0YN  A 401 (-3.8A)
0YN  A 401 (-3.5A)
0YN  A 401 (-3.9A)
0YN  A 401 (-3.1A)
0YN  A 401 ( 4.1A)
0YN  A 401 (-2.9A)
 0.61A 4kysA-4hcyA:
32.7		 4kysA-4hcyA:
23.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4thi PROTEIN (THIAMINASE
I)

(Bacillus
subtilis) 		PF01547
(SBP_bac_1) 		9 TYR A  16
TYR A  50
ASP A  64
THR A 163
TYR A 239
GLU A 241
TYR A 270
ASP A 272
LEU A 315
 None
None
None
None
PYD  A 371 (-4.2A)
PYD  A 371 ( 4.3A)
PYD  A 371 ( 3.7A)
PYD  A 371 (-4.3A)
None
 0.70A 4kysA-4thiA:
55.3		 4kysA-4thiA:
48.19
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.
5a7m BETA-XYLOSIDASE

(Trichoderma
reesei) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 TYR A 211
TYR A 257
ASP A 291
TYR A 429
GLU A 169
 None
None
GOL  A1922 (-3.3A)
ACT  A1923 ( 4.2A)
None
 1.40A 4kysA-5a7mA:
0.0		 4kysA-5a7mA:
20.57