SIMILAR PATTERNS OF AMINO ACIDS FOR 3HCP_A_CHDA2_0

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.
1a8p NADPH:FERREDOXIN
OXIDOREDUCTASE

(Azotobacter
vinelandii) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 LEU A 225
ARG A 190
PRO A 121
SER A  54
GLY A 116
 None
None
None
FAD  A 259 (-3.8A)
None
 1.36A 3hcpA-1a8pA:
2.4		 3hcpA-1a8pA:
21.47
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.
1wr3 UBIQUITIN-PROTEIN
LIGASE NEDD4-2

(Mus musculus) 		PF00397
(WW) 		5 PRO A  34
SER A  35
GLY A   8
PRO A   7
TRP A   9
 None
 1.36A 3hcpA-1wr3A:
undetectable		 3hcpA-1wr3A:
7.46
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.
2gou OXIDOREDUCTASE,
FMN-BINDING

(Shewanella
oneidensis) 		PF00724
(Oxidored_FMN) 		5 LEU A 341
ARG A 301
SER A  50
PRO A  23
MET A  22
 None
None
None
FMN  A4401 (-4.2A)
None
 1.06A 3hcpA-2gouA:
0.0		 3hcpA-2gouA:
21.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3aqi FERROCHELATASE

(Homo sapiens) 		PF00762
(Ferrochelatase) 		8 LEU A 101
ARG A 114
PRO A 266
SER A 268
GLY A 306
PRO A 307
MET A 308
TRP A 310
 CHD  A   3 ( 4.9A)
CHD  A   2 (-3.6A)
CHD  A   2 ( 4.5A)
CHD  A   2 ( 4.4A)
CHD  A   2 ( 3.8A)
None
None
CHD  A   2 (-4.7A)
 0.89A 3hcpA-3aqiA:
59.9		 3hcpA-3aqiA:
99.16
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.
4m2g L-ARGININE
BETA-HYDROXYLASE

(Streptomyces
lavendulae) 		PF02668
(TauD) 		5 LEU A 275
ARG A 253
PRO A 262
GLY A 240
PRO A 201
 None
 1.44A 3hcpA-4m2gA:
0.0		 3hcpA-4m2gA:
20.44
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.
5thx FERREDOXIN--NADP
REDUCTASE

(Neisseria
gonorrhoeae) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 LEU A 225
ARG A 190
PRO A 121
SER A  54
GLY A 116
 None
NAP  A 301 (-3.3A)
None
FAD  A 303 (-3.8A)
NAP  A 301 ( 3.9A)
 1.16A 3hcpA-5thxA:
2.6		 3hcpA-5thxA:
21.76
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.
5z67 DNA REPLICATION AND
REPAIR PROTEIN RECF

(Caldanaerobacter
subterraneus) 		no annotation 5 LEU A 225
ARG A 266
ARG A 134
SER A 278
GLY A 129
 None
 1.40A 3hcpA-5z67A:
0.1		 3hcpA-5z67A:
undetectable