SIMILAR PATTERNS OF AMINO ACIDS FOR 3DYE_A_LNRA600_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
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.
1or7 RNA POLYMERASE
SIGMA-E FACTOR
SIGMA-E FACTOR
NEGATIVE REGULATORY
PROTEIN

(Escherichia
coli) 		PF03872
(RseA_N)
PF04542
(Sigma70_r2)
PF08281
(Sigma70_r4_2) 		5 ARG C  40
TYR A  29
TYR A  75
ASP A   7
GLU A   3
 None
 1.31A 3dyeA-1or7C:
undetectable		 3dyeA-1or7C:
16.12
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.
2d6f GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT E

(Methanothermobacter
thermautotrophicus) 		PF02637
(GatB_Yqey)
PF02934
(GatB_N)
PF02938
(GAD) 		5 GLU C 323
ILE C 314
ARG C 255
GLU C 398
VAL C 234
 None
 1.24A 3dyeA-2d6fC:
0.0		 3dyeA-2d6fC:
18.43
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.
2pql D7R4 PROTEIN

(Anopheles
gambiae) 		PF01395
(PBP_GOBP) 		8 GLU A   7
ILE A  21
ARG A  22
TYR A  24
HIS A  35
TYR A  94
ASP A 111
GLU A 114
 TSS  A 145 ( 4.9A)
TSS  A 145 (-4.8A)
TSS  A 145 (-3.5A)
TSS  A 145 (-3.4A)
TSS  A 145 (-4.3A)
None
TSS  A 145 (-3.5A)
TSS  A 145 (-3.6A)
 0.42A 3dyeA-2pqlA:
16.8		 3dyeA-2pqlA:
18.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzt D7 PROTEIN

(Aedes aegypti) 		PF01395
(PBP_GOBP) 		6 GLU A 158
ILE A 175
TYR A 178
HIS A 189
TYR A 248
ASP A 265
 TRS  A 306 ( 4.7A)
None
TRS  A 306 (-3.8A)
GOL  A 307 (-4.0A)
GOL  A 307 (-4.3A)
TRS  A 306 (-3.6A)
 0.23A 3dyeA-3dztA:
43.8		 3dyeA-3dztA:
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.
4ddw REVERSE GYRASE

(Thermotoga
maritima) 		PF00270
(DEAD)
PF01131
(Topoisom_bac)
PF01751
(Toprim) 		5 GLU A 512
ILE A 510
ARG A 292
ASP A 491
GLU A 492
 None
 1.46A 3dyeA-4ddwA:
0.0		 3dyeA-4ddwA:
13.31