SIMILAR PATTERNS OF AMINO ACIDS FOR 4JVL_B_ESTB302_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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1bo6 ESTROGEN
SULFOTRANSFERASE

(Mus musculus) 		PF00685
(Sulfotransfer_1) 		5 CYH A  84
LYS A 106
HIS A 108
PHE A 142
MET A 248
 None
VO4  A 302 (-3.0A)
VO4  A 302 (-3.9A)
VO4  A 302 ( 4.6A)
None
 0.67A 4jvlB-1bo6A:
44.3		 4jvlB-1bo6A:
77.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1g3m ESTROGEN
SULFOTRANSFERASE

(Homo sapiens) 		PF00685
(Sulfotransfer_1) 		8 TYR A  20
PHE A  80
CYH A  83
LYS A 105
HIS A 107
PHE A 141
ILE A 246
MET A 247
 PCQ  A 712 (-3.9A)
PCQ  A 712 (-4.6A)
None
PCQ  A 712 (-3.0A)
PCQ  A 712 (-3.9A)
PCQ  A 712 (-4.7A)
PCQ  A 712 (-4.3A)
None
 0.24A 4jvlB-1g3mA:
49.3		 4jvlB-1g3mA:
99.66
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.
2iqf CATALASE

(Helicobacter
pylori) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		5 TYR A 117
PHE A  81
LYS A  87
PHE A 217
ILE A 296
 None
 1.34A 4jvlB-2iqfA:
0.0		 4jvlB-2iqfA:
19.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2zyv TYROSINE-ESTER
SULFOTRANSFERASE

(Mus musculus) 		PF00685
(Sulfotransfer_1) 		5 PHE X  81
LYS X 106
HIS X 108
PHE X 142
MET X 248
 NPO  X1601 ( 4.5A)
NPO  X1601 ( 2.8A)
NPO  X1601 ( 3.7A)
PPS  X1501 ( 4.1A)
None
 0.35A 4jvlB-2zyvX:
44.6		 4jvlB-2zyvX:
56.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3qvu SULFOTRANSFERASE 1A1

(Homo sapiens) 		PF00685
(Sulfotransfer_1) 		6 PHE A  81
LYS A 106
HIS A 108
PHE A 142
ILE A 247
MET A 248
 NPO  A 296 ( 4.7A)
NPO  A 296 (-3.0A)
NPO  A 296 (-3.7A)
NPO  A 296 (-4.8A)
None
NPO  A 296 ( 4.3A)
 0.49A 4jvlB-3qvuA:
42.8		 4jvlB-3qvuA:
50.51