SIMILAR PATTERNS OF AMINO ACIDS FOR 4A97_F_ZPCF1318_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.
1a87 COLICIN N

(Escherichia
coli) 		PF01024
(Colicin) 		5 GLU A 187
PHE A 183
HIS A 137
TYR A 109
ILE A  97
 None
 1.30A 4a97F-1a87A:
0.0
4a97J-1a87A:
0.0		 4a97F-1a87A:
21.10
4a97J-1a87A:
21.10
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.
1a87 COLICIN N

(Escherichia
coli) 		PF01024
(Colicin) 		5 GLU A 187
PHE A 183
TYR A 134
TYR A 109
ILE A  97
 None
 1.15A 4a97F-1a87A:
0.0
4a97J-1a87A:
0.0		 4a97F-1a87A:
21.10
4a97J-1a87A:
21.10
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.
1kh2 ARGININOSUCCINATE
SYNTHETASE

(Thermus
thermophilus) 		PF00764
(Arginosuc_synth) 		5 GLU A  81
TYR A 270
MET A  73
ILE A  90
GLU A 184
 None
 1.43A 4a97F-1kh2A:
0.6
4a97J-1kh2A:
0.0		 4a97F-1kh2A:
23.19
4a97J-1kh2A:
23.19
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.
2dgd 223AA LONG
HYPOTHETICAL
ARYLMALONATE
DECARBOXYLASE

(Sulfurisphaera
tokodaii) 		no annotation 5 GLU A 202
GLU A  96
HIS A  81
ILE A  89
GLU A  45
 None
 1.38A 4a97F-2dgdA:
0.0
4a97J-2dgdA:
0.0		 4a97F-2dgdA:
20.66
4a97J-2dgdA:
20.66
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.
3fss HISTONE CHAPERONE
RTT106

(Saccharomyces
cerevisiae) 		PF08512
(Rtt106) 		5 GLU A 148
TYR A  94
TYR A 117
MET A 142
ILE A 123
 None
None
None
None
GOL  A   1 (-4.4A)
 1.22A 4a97F-3fssA:
0.0
4a97J-3fssA:
0.0		 4a97F-3fssA:
21.36
4a97J-3fssA:
21.36
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.
3vib MTRR

(Neisseria
gonorrhoeae) 		PF00440
(TetR_N)
PF08361
(TetR_C_2) 		5 GLU A 182
PHE A 178
TYR A  24
TYR A 106
ILE A  65
 None
 1.41A 4a97F-3vibA:
3.1
4a97J-3vibA:
undetectable		 4a97F-3vibA:
20.87
4a97J-3vibA:
20.87
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 PHE A  19
TYR A  38
ARG A  91
MET A  93
ILE A 101
 None
 0.49A 4a97F-4twfA:
33.6
4a97J-4twfA:
33.7		 4a97F-4twfA:
99.35
4a97J-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.
4ur2 TETRACHLOROETHENE
REDUCTIVE
DEHALOGENASE
CATALYTIC SUBUNIT
PCEA

(Sulfurospirillum
multivorans) 		PF13484
(Fer4_16)
PF13486
(Dehalogenase) 		5 GLU A  92
TYR A 382
PHE A  38
TYR A 102
MET A 249
 None
None
BVQ  A 503 ( 3.9A)
None
BVQ  A 503 (-3.3A)
 1.10A 4a97F-4ur2A:
0.2
4a97J-4ur2A:
0.0		 4a97F-4ur2A:
20.95
4a97J-4ur2A:
20.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4yeu CYS-LOOP
LIGAND-GATED ION
CHANNEL,PROTON-GATED
ION CHANNEL

(Dickeya
chrysanthemi;
Gloeobacter
violaceus) 		PF02931
(Neur_chan_LBD) 		5 GLU A  77
GLU A 131
PHE A 133
TYR A 175
HIS A 177
 None
 0.85A 4a97F-4yeuA:
29.6
4a97J-4yeuA:
29.6		 4a97F-4yeuA:
71.88
4a97J-4yeuA:
71.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4yeu CYS-LOOP
LIGAND-GATED ION
CHANNEL,PROTON-GATED
ION CHANNEL

(Dickeya
chrysanthemi;
Gloeobacter
violaceus) 		PF02931
(Neur_chan_LBD) 		6 PHE A  19
TYR A  38
ARG A  91
MET A  93
ILE A 101
ASN A 103
 None
 0.72A 4a97F-4yeuA:
29.6
4a97J-4yeuA:
29.6		 4a97F-4yeuA:
71.88
4a97J-4yeuA:
71.88
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.
5n6v AMYLOSUCRASE

(Neisseria
polysaccharea) 		no annotation 5 GLU A  27
HIS A  39
TYR A  72
ILE A  11
GLU A  87
 None
 1.49A 4a97F-5n6vA:
0.0
4a97J-5n6vA:
0.0		 4a97F-5n6vA:
14.33
4a97J-5n6vA:
14.33
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.
6bvg PROTEIN-N(PI)-PHOSPH
OHISTIDINE-SUGAR
PHOSPHOTRANSFERASE
(ENZYME II OF THE
PHOSPHOTRANSFERASE
SYSTEM) (PTS SYSTEM
GLUCOSE-SPECIFIC
IIBC COMPONENT)

(Bacillus cereus) 		no annotation 5 GLU A 355
GLU A 358
PHE A 359
TYR A 369
PHE A 237
 MAL  A 501 (-2.5A)
None
None
None
None
 1.32A 4a97F-6bvgA:
0.0
4a97J-6bvgA:
0.0		 4a97F-6bvgA:
12.29
4a97J-6bvgA:
12.29