SIMILAR PATTERNS OF AMINO ACIDS FOR 3RQW_B_ACHB323_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
 1.36A 3rqwB-1llnA:
0.0
3rqwC-1llnA:
0.0		 3rqwB-1llnA:
19.64
3rqwC-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.
1nd7 WW DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00632
(HECT) 		5 ASN A 650
GLU A 578
TYR A 628
LEU A 630
PHE A 577
 None
 1.49A 3rqwB-1nd7A:
1.4
3rqwC-1nd7A:
1.3		 3rqwB-1nd7A:
21.30
3rqwC-1nd7A:
21.30
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
 1.43A 3rqwB-1rcwA:
undetectable
3rqwC-1rcwA:
undetectable		 3rqwB-1rcwA:
20.19
3rqwC-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
 1.02A 3rqwB-3kt4A:
1.1
3rqwC-3kt4A:
1.0		 3rqwB-3kt4A:
21.47
3rqwC-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
 1.48A 3rqwB-3uwsB:
0.0
3rqwC-3uwsB:
0.0		 3rqwB-3uwsB:
20.73
3rqwC-3uwsB:
20.73
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 3rqwB-4twfA:
33.0
3rqwC-4twfA:
33.0		 3rqwB-4twfA:
99.35
3rqwC-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
 1.28A 3rqwB-5xhwA:
0.0
3rqwC-5xhwA:
0.0		 3rqwB-5xhwA:
undetectable
3rqwC-5xhwA:
undetectable