SIMILAR PATTERNS OF AMINO ACIDS FOR 4D39_A_ACTA860_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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE

(Homo sapiens) 		PF02898
(NO_synthase) 		4 GLY A 186
TRP A 356
VAL A 418
SER A 426
 MPD  A 604 (-3.8A)
HEM  A 901 (-3.6A)
MPD  A 604 (-4.2A)
MPD  A 604 (-3.1A)
 0.20A 4d39A-1m9qA:
62.4		 4d39A-1m9qA:
95.17
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.
1y9a NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Entamoeba
histolytica) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 GLY A 286
TRP A 281
VAL A 253
SER A 260
 None
 1.30A 4d39A-1y9aA:
0.0		 4d39A-1y9aA:
22.27
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.
2pvq GLUTATHIONE
S-TRANSFERASE

(Ochrobactrum
anthropi) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		4 GLY A   8
TRP A 164
VAL A 160
SER A  11
 GSH  A5204 (-3.5A)
GSH  A5204 (-4.0A)
None
None
 1.49A 4d39A-2pvqA:
0.2		 4d39A-2pvqA:
18.65
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.
2v9i RHAMNULOSE-1-PHOSPHA
TE ALDOLASE

(Escherichia
coli) 		PF00596
(Aldolase_II) 		4 GLY A 194
TRP A 209
VAL A 207
SER A 124
 None
 0.93A 4d39A-2v9iA:
0.0		 4d39A-2v9iA:
19.82
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.
3fpc NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Entamoeba
histolytica;
Thermoanaerobacter
brockii) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 GLY A 286
TRP A 281
VAL A 253
SER A 260
 None
 1.32A 4d39A-3fpcA:
0.0		 4d39A-3fpcA:
20.97
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.
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1

(Thermus
thermophilus) 		PF01512
(Complex1_51K)
PF10531
(SLBB)
PF10589
(NADH_4Fe-4S) 		4 GLY 1 396
TRP 1 408
VAL 1 407
SER 1 398
 None
None
None
SF4  1 439 ( 4.5A)
 1.08A 4d39A-3i9v1:
0.0		 4d39A-3i9v1:
23.63
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.
3kw7 LACCASE B

(Trametes sp.
AH28-2) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 GLY A 122
TRP A 107
VAL A 201
SER A 149
 None
CU  A 604 (-4.1A)
None
None
 1.49A 4d39A-3kw7A:
0.0		 4d39A-3kw7A:
22.00
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.
3r1x 2-OXO-3-DEOXYGALACTO
NATE KINASE

(Klebsiella
pneumoniae) 		PF05035
(DGOK) 		4 GLY A  65
TRP A  10
VAL A  35
SER A  69
 None
 1.32A 4d39A-3r1xA:
0.0		 4d39A-3r1xA:
21.35