SIMILAR PATTERNS OF AMINO ACIDS FOR 3N6A_B_H4BB600

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.
1kex NEUROPILIN-1

(Homo sapiens) 		PF00754
(F5_F8_type_C) 		4 TRP A  97
PHE A 131
GLU A  95
ARG A 130
 None
 1.38A 3n6aA-1kexA:
0.0
3n6aB-1kexA:
0.0		 3n6aA-1kexA:
15.02
3n6aB-1kexA:
15.02
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.
1l5j ACONITATE HYDRATASE
2

(Escherichia
coli) 		PF00330
(Aconitase)
PF06434
(Aconitase_2_N)
PF11791
(Aconitase_B_N) 		4 TRP A 155
PHE A 156
GLU A 154
ARG A 340
 None
 1.36A 3n6aA-1l5jA:
0.0
3n6aB-1l5jA:
0.0		 3n6aA-1l5jA:
19.75
3n6aB-1l5jA:
19.75
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.
1m68 HYPOTHETICAL PROTEIN
YCDX

(Escherichia
coli) 		PF02811
(PHP) 		4 PHE A 242
GLU A 232
MET A 236
ARG A  61
 None
 1.48A 3n6aA-1m68A:
0.0
3n6aB-1m68A:
0.0		 3n6aA-1m68A:
20.31
3n6aB-1m68A:
20.31
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.
2qqo NEUROPILIN-2

(Homo sapiens) 		PF00431
(CUB)
PF00754
(F5_F8_type_C) 		4 TRP A 372
PHE A 406
GLU A 370
ARG A 405
 None
 1.42A 3n6aA-2qqoA:
0.5
3n6aB-2qqoA:
1.3		 3n6aA-2qqoA:
23.53
3n6aB-2qqoA:
23.53
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.
3ckb SUSD

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB) 		4 TRP A 485
PHE A 489
GLU A 484
ARG A 437
 None
 1.00A 3n6aA-3ckbA:
0.0
3n6aB-3ckbA:
0.0		 3n6aA-3ckbA:
21.64
3n6aB-3ckbA:
21.64
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.
3hzp NTF2-LIKE PROTEIN OF
UNKNOWN FUNCTION

(Prochlorococcus
marinus) 		PF12707
(DUF3804) 		4 PHE A  34
MET A  20
ARG A 118
TRP A  51
 1PE  A 131 (-4.5A)
1PE  A 131 ( 3.8A)
1PE  A 131 (-3.7A)
None
 1.49A 3n6aA-3hzpA:
0.0
3n6aB-3hzpA:
0.0		 3n6aA-3hzpA:
14.54
3n6aB-3hzpA:
14.54
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.
4qbu ZMAA

(Bacillus cereus) 		PF00698
(Acyl_transf_1) 		4 TRP A 428
PHE A 431
GLU A 429
ARG A   9
 None
 1.46A 3n6aA-4qbuA:
0.4
3n6aB-4qbuA:
0.4		 3n6aA-4qbuA:
21.38
3n6aB-4qbuA:
21.38
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.
4ras OXIDOREDUCTASE,
NAD-BINDING/IRON-SUL
FUR CLUSTER-BINDING
PROTEIN

(Nitratireductor
pacificus) 		PF12838
(Fer4_7)
PF13486
(Dehalogenase) 		4 TRP A 613
PHE A  89
GLU A 406
ARG A 424
 None
 1.47A 3n6aA-4rasA:
0.0
3n6aB-4rasA:
0.0		 3n6aA-4rasA:
20.63
3n6aB-4rasA:
20.63
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.
5m0t ALPHA-KETOGLUTARATE-
DEPENDENT NON-HEME
IRON OXYGENASE EASH

(Aspergillus
japonicus) 		PF05721
(PhyH) 		4 PHE A 180
GLU A 178
ARG A 132
TRP A 177
 None
ZN  A 303 ( 2.0A)
None
None
 1.46A 3n6aA-5m0tA:
0.4
3n6aB-5m0tA:
0.2		 3n6aA-5m0tA:
23.88
3n6aB-5m0tA:
23.88
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.
5m8t 5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE

(Homo sapiens) 		PF00264
(Tyrosinase) 		4 TRP A 414
PHE A 411
GLU A 413
ARG A 225
 None
 1.07A 3n6aA-5m8tA:
undetectable
3n6aB-5m8tA:
undetectable		 3n6aA-5m8tA:
21.61
3n6aB-5m8tA:
21.61