SIMILAR PATTERNS OF AMINO ACIDS FOR 2XDC_F_DVAF6

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.
1jf5 ALPHA AMYLASE II

(Thermoactinomyces
vulgaris) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16657
(Malt_amylase_C) 		4 TRP A 414
TRP A 127
ALA A 128
VAL A 132
 None
 1.49A 2xdcE-1jf5A:
undetectable
2xdcF-1jf5A:
undetectable		 2xdcE-1jf5A:
3.02
2xdcF-1jf5A:
3.02
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.
2n8f SPIDER TOXIN
PI-HEXATOXIN-HI1A

(Hadronyche
infensa) 		no annotation 4 TRP A  45
TRP A  62
ALA A  73
VAL A  43
 None
 1.41A 2xdcE-2n8fA:
undetectable
2xdcF-2n8fA:
undetectable		 2xdcE-2n8fA:
15.38
2xdcF-2n8fA:
15.38
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.
3iuk UNCHARACTERIZED
PROTEIN

(Paenarthrobacter
aurescens) 		PF05960
(DUF885) 		4 TRP A 365
TRP A 364
ALA A 341
VAL A 367
 None
 1.34A 2xdcE-3iukA:
undetectable
2xdcF-3iukA:
undetectable		 2xdcE-3iukA:
2.52
2xdcF-3iukA:
2.52
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.
4ain GLYCINE BETAINE
TRANSPORTER BETP

(Corynebacterium
glutamicum) 		PF02028
(BCCT) 		4 TRP A 490
TRP A 495
ALA A 493
VAL A 491
 None
 1.39A 2xdcE-4ainA:
undetectable
2xdcF-4ainA:
undetectable		 2xdcE-4ainA:
4.28
2xdcF-4ainA:
4.28
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.
4e4u MANDALATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(unidentified) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 TRP A  23
TRP A 339
ALA A 317
VAL A 315
 None
 1.29A 2xdcE-4e4uA:
undetectable
2xdcF-4e4uA:
undetectable		 2xdcE-4e4uA:
4.02
2xdcF-4e4uA:
4.02