SIMILAR PATTERNS OF AMINO ACIDS FOR 3RQW_E_ACHE323

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.
1lln ANTIVIRAL PROTEIN 3

(Phytolacca
americana) 		PF00161
(RIP) 		5 ILE A 111
GLU A 159
TYR A  73
LEU A  61
PHE A 162
 None
 1.37A 3rqwA-1llnA:
0.0
3rqwE-1llnA:
0.0		 3rqwA-1llnA:
19.64
3rqwE-1llnA:
19.64
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.
1p49 STERYL-SULFATASE

(Homo sapiens) 		PF00884
(Sulfatase)
PF14707
(Sulfatase_C) 		5 GLU A 267
ILE A 132
LEU A 152
TYR A 158
ASN A 247
 None
 1.47A 3rqwA-1p49A:
3.9
3rqwE-1p49A:
3.9		 3rqwA-1p49A:
19.01
3rqwE-1p49A:
19.01
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.
1rcw CT610

(Chlamydia
trachomatis) 		PF03070
(TENA_THI-4) 		5 ILE A 148
TYR A  43
LEU A  40
PHE A  26
PHE A  95
 None
 1.43A 3rqwA-1rcwA:
undetectable
3rqwE-1rcwA:
undetectable		 3rqwA-1rcwA:
20.19
3rqwE-1rcwA:
20.19
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.
3kt4 PKHD-TYPE
HYDROXYLASE TPA1

(Saccharomyces
cerevisiae) 		PF10637
(Ofd1_CTDD)
PF13661
(2OG-FeII_Oxy_4) 		5 ILE A  58
TYR A 125
LEU A 120
PHE A  30
PHE A 170
 None
 1.02A 3rqwA-3kt4A:
0.9
3rqwE-3kt4A:
1.0		 3rqwA-3kt4A:
21.47
3rqwE-3kt4A:
21.47
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.
3uws HYPOTHETICAL PROTEIN

(Parabacteroides
merdae) 		PF03415
(Peptidase_C11) 		5 GLU B 185
TYR B 363
LEU B 360
PHE B 350
TYR B 374
 None
None
None
None
EDO  B 402 ( 4.7A)
 1.49A 3rqwA-3uwsB:
0.0
3rqwE-3uwsB:
0.0		 3rqwA-3uwsB:
20.73
3rqwE-3uwsB:
20.73
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.
4hsu LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1B

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM)
PF07496
(zf-CW) 		5 ILE A 438
TYR A 698
PHE A 680
TYR A 545
ASN A 542
 FAD  A 901 (-3.9A)
None
None
None
None
 1.49A 3rqwA-4hsuA:
0.0
3rqwE-4hsuA:
0.3		 3rqwA-4hsuA:
18.17
3rqwE-4hsuA:
18.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4twf CYS-LOOP
LIGAND-GATED ION
CHANNEL

(Dickeya
chrysanthemi) 		PF02931
(Neur_chan_LBD) 		5 GLU A  77
ILE A  79
GLU A 131
TYR A 175
PHE A 188
 BR7  A 401 ( 4.9A)
None
BR7  A 401 (-4.1A)
BR7  A 401 (-3.9A)
BR7  A 401 (-3.9A)
 0.67A 3rqwA-4twfA:
33.0
3rqwE-4twfA:
33.0		 3rqwA-4twfA:
99.35
3rqwE-4twfA:
99.35
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.
5xhw PUTATIVE
6-DEOXY-D-MANNOHEPTO
SE PATHWAY PROTEIN

(Yersinia
pseudotuberculosis) 		no annotation 5 ILE A 154
GLU A 188
TYR A 170
LEU A 127
PHE A 187
 None
SO4  A 303 ( 4.7A)
None
None
None
 1.27A 3rqwA-5xhwA:
0.0
3rqwE-5xhwA:
0.0		 3rqwA-5xhwA:
undetectable
3rqwE-5xhwA:
undetectable