SIMILAR PATTERNS OF AMINO ACIDS FOR 3NNE_D_ACTD601_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.
1mty METHANE
MONOOXYGENASE
HYDROXYLASE
METHANE
MONOOXYGENASE
HYDROXYLASE

(Methylococcus
capsulatus;
Methylococcus
capsulatus) 		PF02332
(Phenol_Hydrox)
PF02332
(Phenol_Hydrox) 		4 ILE D 145
TRP B 105
HIS B 106
VAL B 110
 None
 1.33A 3nneD-1mtyD:
0.0		 3nneD-1mtyD:
20.34
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.
1v7v CHITOBIOSE
PHOSPHORYLASE

(Vibrio
proteolyticus) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		4 TRP A  86
ILE A 100
HIS A  39
VAL A  20
 None
 1.47A 3nneD-1v7vA:
0.0		 3nneD-1v7vA:
22.76
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.
1w3f HEMOLYTIC LECTIN
FROM LAETIPORUS
SULPHUREUS

(Laetiporus
sulphureus) 		PF03318
(ETX_MTX2) 		4 TRP A 238
ILE A 156
TRP A 298
VAL A 230
 None
 1.42A 3nneD-1w3fA:
0.0		 3nneD-1w3fA:
19.93
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.
3dx9 DM1 T CELL RECEPTOR
ALPHA CHAIN

(Homo sapiens) 		PF07686
(V-set)
PF09291
(DUF1968) 		4 ILE A  83
TRP A  41
HIS A  25
VAL A 106
 None
 1.40A 3nneD-3dx9A:
0.0		 3nneD-3dx9A:
15.62
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.
3eez PUTATIVE MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Ruegeria
pomeroyi) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 TRP A 198
ILE A 230
HIS A 234
VAL A 238
 None
 1.17A 3nneD-3eezA:
0.0		 3nneD-3eezA:
22.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ljp CHOLINE OXIDASE

(Arthrobacter
globiformis) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 TRP A  61
ILE A 103
TRP A 331
HIS A 351
 None
FDA  A 547 (-3.5A)
None
None
 0.15A 3nneD-3ljpA:
67.5		 3nneD-3ljpA:
99.63
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.
4ife GENE 2 PROTEIN

(Shigella virus
Sf6) 		PF04466
(Terminase_3)
PF17288
(Terminase_3C) 		4 TRP A 143
ILE A  47
TRP A 116
VAL A  37
 None
 1.29A 3nneD-4ifeA:
0.0		 3nneD-4ifeA:
23.22
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.
4x3n CALCIUM-REGULATED
ACTIN-BUNDLING
PROTEIN

(Dictyostelium
discoideum) 		no annotation 4 TRP A  54
ILE A 276
TRP A 277
VAL A  47
 None
 1.31A 3nneD-4x3nA:
undetectable		 3nneD-4x3nA:
17.71
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.
5van BETA-KLOTHO

(Homo sapiens) 		no annotation 4 TRP A 402
ILE A 305
HIS A 303
VAL A 326
 None
 1.01A 3nneD-5vanA:
0.0		 3nneD-5vanA:
undetectable
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.
5w21 KLOTHO

(Homo sapiens) 		no annotation 4 TRP A 400
ILE A 303
HIS A 301
VAL A 323
 None
 0.78A 3nneD-5w21A:
0.0		 3nneD-5w21A:
undetectable
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.
5wi9 -

(-) 		no annotation 4 TRP A 402
ILE A 305
HIS A 303
VAL A 326
 None
 1.05A 3nneD-5wi9A:
undetectable		 3nneD-5wi9A:
undetectable