SIMILAR PATTERNS OF AMINO ACIDS FOR 2BXD_A_RWFA2001_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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1tf0 SERUM ALBUMIN

(Homo sapiens) 		PF00273
(Serum_albumin) 		9 TYR A 150
LYS A 199
PHE A 211
ARG A 222
LEU A 238
HIS A 242
ARG A 257
LEU A 260
ALA A 291
 DKA  A1003 (-4.4A)
CIT  A2001 ( 2.7A)
None
CIT  A2001 ( 2.9A)
DKA  A1003 (-4.3A)
DKA  A1003 (-3.7A)
DKA  A1003 (-4.1A)
None
CIT  A2001 ( 3.9A)
 0.38A 2bxdA-1tf0A:
47.8		 2bxdA-1tf0A:
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.
1y4u CHAPERONE PROTEIN
HTPG

(Escherichia
coli) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		5 TYR A 371
PHE A 320
LEU A 382
ARG A 401
LEU A 400
 None
 0.96A 2bxdA-1y4uA:
0.0		 2bxdA-1y4uA:
23.28
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.
2gq0 CHAPERONE PROTEIN
HTPG

(Escherichia
coli) 		PF00183
(HSP90) 		5 TYR A 371
PHE A 320
LEU A 382
ARG A 401
LEU A 400
 None
 0.93A 2bxdA-2gq0A:
undetectable		 2bxdA-2gq0A:
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.
2iop CHAPERONE PROTEIN
HTPG

(Escherichia
coli) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		5 TYR A 371
PHE A 320
LEU A 382
ARG A 401
LEU A 400
 None
 0.94A 2bxdA-2iopA:
0.5		 2bxdA-2iopA:
22.44
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.
4h2l ALPHA-GLOBIN

(Peromyscus
maniculatus) 		PF00042
(Globin) 		5 PHE A  46
LEU A  29
HIS A  58
LEU A 101
ALA A  63
 None
None
HEM  A 201 (-4.4A)
HEM  A 201 (-4.3A)
None
 1.38A 2bxdA-4h2lA:
3.6		 2bxdA-4h2lA:
11.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4po0 SERUM ALBUMIN

(Oryctolagus
cuniculus) 		PF00273
(Serum_albumin) 		6 TYR A 150
ARG A 222
LEU A 238
HIS A 242
ARG A 257
LEU A 260
 None
 0.48A 2bxdA-4po0A:
46.4		 2bxdA-4po0A:
74.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4po0 SERUM ALBUMIN

(Oryctolagus
cuniculus) 		PF00273
(Serum_albumin) 		5 TYR A 150
LEU A 238
HIS A 242
LEU A 260
ALA A 287
 None
 1.45A 2bxdA-4po0A:
46.4		 2bxdA-4po0A:
74.32
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.
5a6b N-ACETYL-BETA-D-GLUC
OSAMINIDASE

(Streptococcus
pneumoniae) 		PF00728
(Glyco_hydro_20) 		5 TYR D 443
PHE D 467
LEU D 428
LEU D 431
ALA D 607
 None
 1.27A 2bxdA-5a6bD:
0.4		 2bxdA-5a6bD:
21.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dqf SERUM ALBUMIN

(Equus caballus) 		PF00273
(Serum_albumin) 		7 TYR A 149
LYS A 198
LEU A 237
HIS A 241
ARG A 256
LEU A 259
ALA A 290
 PG4  A 602 (-4.9A)
PG4  A 602 ( 4.3A)
PG4  A 602 (-4.7A)
PG4  A 602 (-4.0A)
PG4  A 602 (-4.1A)
PG4  A 602 ( 4.5A)
PG4  A 602 (-3.4A)
 0.68A 2bxdA-5dqfA:
47.0		 2bxdA-5dqfA:
76.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ghk SERUM ALBUMIN

(Canis lupus) 		PF00273
(Serum_albumin) 		9 TYR A 150
LYS A 199
PHE A 211
ARG A 222
LEU A 238
HIS A 242
ARG A 257
LEU A 260
ALA A 291
 None
 0.68A 2bxdA-5ghkA:
45.6		 2bxdA-5ghkA:
79.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ori ALBUMIN

(Capra hircus) 		no annotation 5 ARG A 217
LEU A 237
ARG A 256
LEU A 259
ALA A 290
 None
 1.34A 2bxdA-5oriA:
46.0		 2bxdA-5oriA:
74.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ori ALBUMIN

(Capra hircus) 		no annotation 6 TYR A 149
LEU A 237
HIS A 241
ARG A 256
LEU A 259
ALA A 290
 None
 0.45A 2bxdA-5oriA:
46.0		 2bxdA-5oriA:
74.66
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.
5yxe SERUM ALBUMIN

(Felis catus) 		no annotation 7 TYR A 150
LYS A 199
PHE A 211
LEU A 238
HIS A 242
ARG A 257
LEU A 260
 None
 0.47A 2bxdA-5yxeA:
47.6		 2bxdA-5yxeA:
11.11