SIMILAR PATTERNS OF AMINO ACIDS FOR 3RQW_F_ACHF323_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
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 3rqwF-1llnA:
0.0
3rqwG-1llnA:
0.0		 3rqwF-1llnA:
19.64
3rqwG-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 TYR A 158
ASN A 247
GLU A 267
ILE A 132
LEU A 152
 None
 1.45A 3rqwF-1p49A:
3.0
3rqwG-1p49A:
3.4		 3rqwF-1p49A:
19.01
3rqwG-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 PHE A  95
ILE A 148
TYR A  43
LEU A  40
PHE A  26
 None
 1.44A 3rqwF-1rcwA:
undetectable
3rqwG-1rcwA:
0.6		 3rqwF-1rcwA:
20.19
3rqwG-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 PHE A 170
ILE A  58
TYR A 125
LEU A 120
PHE A  30
 None
 1.03A 3rqwF-3kt4A:
0.1
3rqwG-3kt4A:
0.0		 3rqwF-3kt4A:
21.47
3rqwG-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 TYR B 374
GLU B 185
TYR B 363
LEU B 360
PHE B 350
 EDO  B 402 ( 4.7A)
None
None
None
None
 1.47A 3rqwF-3uwsB:
0.0
3rqwG-3uwsB:
0.5		 3rqwF-3uwsB:
20.73
3rqwG-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 TYR A 545
ASN A 542
ILE A 438
TYR A 698
PHE A 680
 None
None
FAD  A 901 (-3.9A)
None
None
 1.49A 3rqwF-4hsuA:
1.9
3rqwG-4hsuA:
1.9		 3rqwF-4hsuA:
18.17
3rqwG-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)
 0.68A 3rqwF-4twfA:
33.0
3rqwG-4twfA:
33.0		 3rqwF-4twfA:
99.35
3rqwG-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
 1.26A 3rqwF-5xhwA:
0.0
3rqwG-5xhwA:
0.0		 3rqwF-5xhwA:
undetectable
3rqwG-5xhwA:
undetectable