SIMILAR PATTERNS OF AMINO ACIDS FOR 2BXD_B_RWFB2001

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.
1q3i NA,K-ATPASE

(Sus scrofa) 		PF13246
(Cation_ATPase) 		5 LYS A 501
PHE A 548
ARG A 464
LEU A 449
ALA A 425
 None
 1.48A 2bxdB-1q3iA:
undetectable		 2bxdB-1q3iA:
16.55
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) 		8 TYR A 150
LYS A 199
PHE A 211
ARG A 222
LEU A 238
HIS A 242
ILE A 290
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 ( 4.5A)
CIT  A2001 ( 3.9A)
 0.31A 2bxdB-1tf0A:
47.7		 2bxdB-1tf0A:
100.00
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) 		8 TYR A 150
LYS A 199
PHE A 211
TRP A 214
ARG A 222
HIS A 242
ILE A 290
ALA A 291
 DKA  A1003 (-4.4A)
CIT  A2001 ( 2.7A)
None
None
CIT  A2001 ( 2.9A)
DKA  A1003 (-3.7A)
DKA  A1003 ( 4.5A)
CIT  A2001 ( 3.9A)
 0.64A 2bxdB-1tf0A:
47.7		 2bxdB-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.
2r5v PCZA361.1

(Amycolatopsis
orientalis) 		PF00903
(Glyoxalase)
PF14696
(Glyoxalase_5) 		5 PHE A  29
TRP A  23
LEU A 156
ILE A 322
ALA A 243
 None
None
None
None
CO  A4113 ( 4.4A)
 1.32A 2bxdB-2r5vA:
0.0		 2bxdB-2r5vA:
22.47
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.
3oqb OXIDOREDUCTASE

(Bradyrhizobium
diazoefficiens) 		PF01408
(GFO_IDH_MocA) 		5 PHE A 352
ARG A 156
LEU A 144
ILE A 152
ALA A 153
 None
 1.00A 2bxdB-3oqbA:
0.0		 2bxdB-3oqbA:
21.38
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
TRP A 214
ARG A 222
LEU A 238
HIS A 242
ILE A 290
 None
 0.47A 2bxdB-4po0A:
46.5		 2bxdB-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.
4wcx BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED

(Thermoanaerobacter
italicus) 		PF04055
(Radical_SAM)
PF06968
(BATS) 		5 PHE A   8
LEU A 256
HIS A 252
ILE A 228
ALA A 223
 None
 1.37A 2bxdB-4wcxA:
0.0		 2bxdB-4wcxA:
21.72
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
TRP A 213
LEU A 237
HIS A 241
ILE A 289
ALA A 290
 PG4  A 602 (-4.9A)
PG4  A 602 ( 4.3A)
None
PG4  A 602 (-4.7A)
PG4  A 602 (-4.0A)
PG4  A 602 ( 4.4A)
PG4  A 602 (-3.4A)
 0.65A 2bxdB-5dqfA:
47.0		 2bxdB-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) 		8 TYR A 150
LYS A 199
PHE A 211
TRP A 214
ARG A 222
LEU A 238
HIS A 242
ALA A 291
 None
 0.71A 2bxdB-5ghkA:
45.4		 2bxdB-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 TYR A 149
LEU A 237
HIS A 241
ILE A 289
ALA A 290
 None
 0.40A 2bxdB-5oriA:
45.8		 2bxdB-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
TRP A 214
LEU A 238
HIS A 242
ILE A 290
 None
 0.39A 2bxdB-5yxeA:
47.4		 2bxdB-5yxeA:
11.11