SIMILAR PATTERNS OF AMINO ACIDS FOR 4OES_A_EDTA601

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.
3d3l ARACHIDONATE
12-LIPOXYGENASE,
12S-TYPE

(Homo sapiens) 		PF00305
(Lipoxygenase) 		4 TYR A 651
TRP A 550
TRP A 647
TYR A 230
 None
 1.40A 4oesA-3d3lA:
0.0		 4oesA-3d3lA:
23.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mzb NICKEL-BINDING
PERIPLASMIC PROTEIN

(Escherichia
coli) 		PF00496
(SBP_bac_5) 		6 TYR A  22
MET A  27
TRP A 100
ARG A 137
TRP A 398
TYR A 402
 BHR  A 520 (-4.2A)
BHR  A 520 (-3.7A)
BHR  A 520 (-3.5A)
BHR  A 520 (-3.8A)
BHR  A 520 (-3.8A)
BHR  A 520 ( 4.6A)
 0.34A 4oesA-3mzbA:
54.5		 4oesA-3mzbA:
64.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4oer NIKA PROTEIN

(Brucella suis) 		PF00496
(SBP_bac_5) 		4 TYR A  20
MET A  25
TRP A  98
ARG A 135
 GOL  A 608 ( 4.5A)
GOL  A 601 (-3.5A)
GOL  A 608 (-3.8A)
None
 0.33A 4oesA-4oerA:
52.9		 4oesA-4oerA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4oer NIKA PROTEIN

(Brucella suis) 		PF00496
(SBP_bac_5) 		4 TYR A  20
TRP A  98
ARG A 135
TYR A 400
 GOL  A 608 ( 4.5A)
GOL  A 608 (-3.8A)
None
None
 0.68A 4oesA-4oerA:
52.9		 4oesA-4oerA:
100.00
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.
5yh5 NICKEL ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Staphylococcus
aureus) 		no annotation 5 TYR A  27
MET A  31
TRP A 103
ARG A 140
TYR A 410
 PEG  A 604 ( 4.7A)
PEG  A 604 ( 3.7A)
None
PEG  A 604 (-3.8A)
None
 0.62A 4oesA-5yh5A:
44.5		 4oesA-5yh5A:
undetectable