SIMILAR PATTERNS OF AMINO ACIDS FOR 4PSS_A_FOLA201_1

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zdr DIHYDROFOLATE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00186
(DHFR_1) 		4 ASP A  27
LYS A  32
ARG A  57
THR A 115
 None
SO4  A3484 (-3.1A)
SO4  A3484 (-3.3A)
None
 0.41A 4pssA-1zdrA:
undetectable		 4pssA-1zdrA:
40.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		4 ASP A  27
LYS A  32
ARG A  57
THR A 111
 TOP  A1160 (-2.8A)
None
None
TOP  A1160 ( 4.5A)
 0.61A 4pssA-2w9sA:
undetectable		 4pssA-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		4 ASP X  27
LYS X  32
ARG X  57
THR X 111
 N22  X 219 (-2.8A)
None
None
N22  X 219 (-4.4A)
 0.68A 4pssA-3i8aX:
undetectable		 4pssA-3i8aX:
37.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		4 ASP A  28
LYS A  33
ARG A  58
THR A 115
 MTX  A2001 (-2.7A)
None
MTX  A2001 (-2.8A)
MTX  A2001 (-4.3A)
 0.27A 4pssA-3tq9A:
undetectable		 4pssA-3tq9A:
43.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p68 DIHYDROFOLATE
REDUCTASE

(Escherichia
coli) 		PF00186
(DHFR_1) 		4 ASP A  27
LYS A  32
ARG A  57
THR A 113
 MTX  A 201 (-3.0A)
MTX  A 201 ( 3.9A)
MTX  A 201 (-3.0A)
MTX  A 201 ( 4.5A)
 0.38A 4pssA-4p68A:
undetectable		 4pssA-4p68A:
98.11
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 4 ASP A  28
LYS A  33
ARG A  61
THR A 111
 MMV  A 202 (-2.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.51A 4pssA-6cxmA:
undetectable		 4pssA-6cxmA:
undetectable