SIMILAR PATTERNS OF AMINO ACIDS FOR 3FBW_A_BEZA501_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.
2b0o UPLC1

(Homo sapiens) 		PF01412
(ArfGap)
PF12796
(Ank_2) 		5 ASN E 611
PHE E 502
TYR E 535
LEU E 564
HIS E 538
 None
 1.06A 3fbwA-2b0oE:
undetectable		 3fbwA-2b0oE:
21.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qvb HALOALKANE
DEHALOGENASE 3

(Mycobacterium
tuberculosis) 		PF00561
(Abhydrolase_1) 		7 ASN A  39
ASP A 109
TRP A 110
PHE A 152
PHE A 170
LEU A 212
HIS A 273
 CL  A   2 (-4.4A)
CL  A   2 ( 4.8A)
CL  A   2 (-4.6A)
EDO  A   1 ( 4.9A)
CL  A   2 ( 4.7A)
CL  A   2 ( 4.7A)
EDO  A   1 (-3.8A)
 0.36A 3fbwA-2qvbA:
44.7		 3fbwA-2qvbA:
43.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3a2l HALOALKANE
DEHALOGENASE

(Bradyrhizobium
japonicum) 		PF00561
(Abhydrolase_1) 		8 ASN A  38
ASP A 103
TRP A 104
PHE A 157
PHE A 176
LEU A 217
HIS A 280
TYR A 281
 CL  A 401 (-4.4A)
CL  A 401 ( 4.9A)
CL  A 401 (-4.6A)
None
CL  A 401 ( 4.8A)
CL  A 401 ( 4.8A)
None
None
 0.35A 3fbwA-3a2lA:
46.7		 3fbwA-3a2lA:
51.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3a2l HALOALKANE
DEHALOGENASE

(Bradyrhizobium
japonicum) 		PF00561
(Abhydrolase_1) 		5 ASP A 103
TRP A 104
PHE A 138
LEU A 217
HIS A 280
 CL  A 401 ( 4.9A)
CL  A 401 (-4.6A)
None
CL  A 401 ( 4.8A)
None
 1.30A 3fbwA-3a2lA:
46.7		 3fbwA-3a2lA:
51.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u1t DMMA HALOALKANE
DEHALOGENASE

(unidentified) 		PF00561
(Abhydrolase_1) 		6 ASN A  78
ASP A 144
TRP A 145
PHE A 191
PHE A 210
HIS A 315
 CL  A 350 (-4.4A)
CL  A 350 ( 4.6A)
CL  A 350 (-4.7A)
None
CL  A 350 (-4.7A)
MLI  A 351 (-3.3A)
 0.78A 3fbwA-3u1tA:
46.6		 3fbwA-3u1tA:
50.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wib HALOALKANE
DEHALOGENASE

(Agrobacterium
fabrum) 		PF00561
(Abhydrolase_1) 		6 ASN A  43
ASP A 108
TRP A 109
PHE A 147
LEU A 211
HIS A 274
 NHE  A 401 (-3.8A)
NHE  A 401 (-3.2A)
NHE  A 401 (-4.1A)
NHE  A 401 (-4.8A)
NHE  A 401 ( 4.2A)
NHE  A 401 (-3.4A)
 0.87A 3fbwA-3wibA:
40.3		 3fbwA-3wibA:
37.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wib HALOALKANE
DEHALOGENASE

(Agrobacterium
fabrum) 		PF00561
(Abhydrolase_1) 		6 ASN A  43
ASP A 108
TRP A 109
PHE A 147
PHE A 170
HIS A 274
 NHE  A 401 (-3.8A)
NHE  A 401 (-3.2A)
NHE  A 401 (-4.1A)
NHE  A 401 (-4.8A)
None
NHE  A 401 (-3.4A)
 0.99A 3fbwA-3wibA:
40.3		 3fbwA-3wibA:
37.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4brz HALOALKANE
DEHALOGENASE

(Rhodobacteraceae) 		PF00561
(Abhydrolase_1) 		6 ASN A  36
ASP A 106
TRP A 107
PHE A 150
PHE A 168
HIS A 271
 CL  A1293 (-4.4A)
CL  A1293 ( 4.7A)
CL  A1293 (-4.7A)
CL  A1293 (-4.8A)
CL  A1293 (-4.7A)
None
 0.70A 3fbwA-4brzA:
43.6		 3fbwA-4brzA:
47.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4fwb HALOALKANE
DEHALOGENASE

(Rhodococcus
rhodochrous) 		PF00561
(Abhydrolase_1) 		8 ASN A  41
ASP A 106
TRP A 107
PHE A 149
PHE A 168
TYR A 176
LEU A 209
HIS A 272
 CL  A2002 (-4.3A)
3KP  A2001 ( 2.3A)
CL  A2002 (-4.7A)
3KP  A2001 (-4.7A)
CL  A2005 ( 4.6A)
CL  A2005 (-4.3A)
CL  A2002 ( 4.7A)
CL  A2003 ( 3.7A)
 0.26A 3fbwA-4fwbA:
53.2		 3fbwA-4fwbA:
98.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4k2a HALOALKANE
DEHALOGENASE

(Bradyrhizobium
elkanii) 		PF00561
(Abhydrolase_1) 		8 ASN A  38
ASP A 103
TRP A 104
PHE A 148
PHE A 167
LEU A 208
HIS A 271
TYR A 272
 CL  A 501 (-4.3A)
CL  A 501 ( 4.7A)
CL  A 501 (-4.4A)
None
CL  A 501 (-4.7A)
None
None
None
 0.35A 3fbwA-4k2aA:
46.1		 3fbwA-4k2aA:
48.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4k2a HALOALKANE
DEHALOGENASE

(Bradyrhizobium
elkanii) 		PF00561
(Abhydrolase_1) 		5 ASP A 103
TRP A 104
PHE A 138
LEU A 208
HIS A 271
 CL  A 501 ( 4.7A)
CL  A 501 (-4.4A)
None
None
None
 1.25A 3fbwA-4k2aA:
46.1		 3fbwA-4k2aA:
48.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4wdr HALOALKANE
DEHALOGENASE

(Sphingobium
japonicum) 		PF00561
(Abhydrolase_1) 		7 ASN A  38
ASP A 108
TRP A 109
PHE A 151
PHE A 169
LEU A 211
HIS A 272
 CL  A 301 (-4.2A)
CL  A 301 ( 4.6A)
CL  A 301 (-4.7A)
None
CL  A 301 ( 4.8A)
None
None
 0.42A 3fbwA-4wdrA:
44.4		 3fbwA-4wdrA:
48.84
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.
5mxp -

(-) 		no annotation 7 ASP A 105
TRP A 106
PHE A 149
PHE A 169
LEU A 210
HIS A 273
TYR A 274
 ACT  A 401 (-2.5A)
ACT  A 401 ( 4.9A)
ACT  A 401 (-4.6A)
ACT  A 401 (-4.5A)
ACT  A 401 ( 4.9A)
ACT  A 401 ( 4.3A)
None
 0.94A 3fbwA-5mxpA:
45.2		 3fbwA-5mxpA:
undetectable