SIMILAR PATTERNS OF AMINO ACIDS FOR 4LUH_A_ACTA608

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.
1b41 ACETYLCHOLINESTERASE

(Homo sapiens) 		PF00135
(COesterase) 		4 PRO A  50
ASP A 175
LEU A 174
ARG A 177
 None
 1.39A 4luhA-1b41A:
0.0		 4luhA-1b41A:
20.85
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.
1fy1 HEPARIN-BINDING
PROTEIN

(Homo sapiens) 		PF00089
(Trypsin) 		4 PRO A 200
ASP A 201
LEU A 193
ARG A 198
 None
 1.47A 4luhA-1fy1A:
undetectable		 4luhA-1fy1A:
14.90
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.
1gqr ACETYLCHOLINESTERASE

(Tetronarce
californica) 		PF00135
(COesterase) 		4 PRO A  48
ASP A 172
LEU A 171
ARG A 174
 None
 1.27A 4luhA-1gqrA:
0.2		 4luhA-1gqrA:
20.74
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.
1jhw MACROPHAGE CAPPING
PROTEIN

(Homo sapiens) 		PF00626
(Gelsolin) 		4 PRO A  92
ASP A  85
LEU A  88
ARG A  91
 None
 1.35A 4luhA-1jhwA:
0.0		 4luhA-1jhwA:
20.38
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.
1wly 2-HALOACRYLATE
REDUCTASE

(Burkholderia
sp. WS) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 PRO A 113
ASP A 115
LEU A 116
ARG A  87
 PRO  A 113 ( 1.1A)
ASP  A 115 ( 0.5A)
LEU  A 116 ( 0.6A)
ARG  A  87 ( 0.6A)
 1.42A 4luhA-1wlyA:
0.0		 4luhA-1wlyA:
19.24
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.
3now UNC-45 PROTEIN,
SD10334P

(Drosophila
melanogaster) 		PF11701
(UNC45-central) 		4 PRO A 899
ASP A 900
LEU A 898
ARG A 907
 None
 1.39A 4luhA-3nowA:
0.4		 4luhA-3nowA:
22.34
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.
3w3a V-TYPE ATP SYNTHASE
ALPHA CHAIN

(Thermus
thermophilus) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N)
PF16886
(ATP-synt_ab_Xtn) 		4 PRO A 473
ASP A 474
LEU A 476
ARG A 481
 None
 1.27A 4luhA-3w3aA:
0.0		 4luhA-3w3aA:
21.70
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.
3zxs CRYPTOCHROME B

(Rhodobacter
sphaeroides) 		PF04244
(DPRP) 		4 PRO A  17
ASP A  15
LEU A  16
ARG A 127
 None
 1.39A 4luhA-3zxsA:
0.0		 4luhA-3zxsA:
21.68
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.
4qww ACETYLCHOLINESTERASE

(Bungarus
fasciatus) 		PF00135
(COesterase) 		4 PRO A  48
ASP A 172
LEU A 171
ARG A 174
 None
 1.27A 4luhA-4qwwA:
0.0		 4luhA-4qwwA:
21.99
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.
4uu2 FERULIC ACID
DECARBOXYLASE

(Enterobacter
sp.) 		PF05870
(PA_decarbox) 		4 PRO A 164
ASP A 165
LEU A 167
ARG A 142
 None
 1.02A 4luhA-4uu2A:
undetectable		 4luhA-4uu2A:
13.72
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.
5f1m PHOSPHORYLATED
PROTEIN PHOSPHATASE

(Staphylococcus
aureus) 		PF13672
(PP2C_2) 		4 PRO A 176
ASP A 177
LEU A 178
ARG A  76
 None
 1.35A 4luhA-5f1mA:
0.1		 4luhA-5f1mA:
19.52
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 4 PRO A 110
ASP A 111
LEU A 112
ARG A 144
 None
 1.24A 4luhA-5oriA:
46.6		 4luhA-5oriA:
98.46