SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'BHO'


List of Similar Pattern of Amino Acids

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 on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 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.
1S9A_A_BEZA306_0
(CHLOROCATECHOL
1,2-DIOXYGENASE)		 2boy 3-CHLOROCATECHOL
1,2-DIOXYGENASE
(Rhodococcus
opacus) 		10 / 11 LEU A  49
ASP A  52
ILE A  74
GLY A  76
PRO A  77
TYR A 133
TYR A 167
ARG A 188
HIS A 191
HIS A 193
 None
None
None
BHO  A1256 ( 3.7A)
BHO  A1256 (-4.6A)
FE  A1255 ( 4.2A)
FE  A1255 ( 4.3A)
BHO  A1256 (-3.4A)
FE  A1255 ( 3.2A)
FE  A1255 ( 3.4A)
 0.31A 1s9aA-2boyA:
32.3		 1s9aA-2boyA:
41.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1S9A_B_BEZB307_0
(CHLOROCATECHOL
1,2-DIOXYGENASE)		 2boy 3-CHLOROCATECHOL
1,2-DIOXYGENASE
(Rhodococcus
opacus) 		11 / 12 LEU A  49
ASP A  52
ILE A  74
GLY A  76
PRO A  77
TYR A 133
TYR A 167
ARG A 188
HIS A 191
HIS A 193
GLN A 207
 None
None
None
BHO  A1256 ( 3.7A)
BHO  A1256 (-4.6A)
FE  A1255 ( 4.2A)
FE  A1255 ( 4.3A)
BHO  A1256 (-3.4A)
FE  A1255 ( 3.2A)
FE  A1255 ( 3.4A)
BHO  A1256 (-3.6A)
 0.27A 1s9aB-2boyA:
32.2		 1s9aB-2boyA:
41.25
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.
1TMX_A_BEZA881_0
(HYDROXYQUINOL
1,2-DIOXYGENASE)		 2boy 3-CHLOROCATECHOL
1,2-DIOXYGENASE
(Rhodococcus
opacus) 		7 / 11 GLY A  76
PRO A  77
TYR A 133
TYR A 167
ARG A 188
HIS A 191
HIS A 193
 BHO  A1256 ( 3.7A)
BHO  A1256 (-4.6A)
FE  A1255 ( 4.2A)
FE  A1255 ( 4.3A)
BHO  A1256 (-3.4A)
FE  A1255 ( 3.2A)
FE  A1255 ( 3.4A)
 0.40A 1tmxA-2boyA:
27.8		 1tmxA-2boyA:
23.99
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.
1TMX_A_BEZA881_0
(HYDROXYQUINOL
1,2-DIOXYGENASE)		 2boy 3-CHLOROCATECHOL
1,2-DIOXYGENASE
(Rhodococcus
opacus) 		6 / 11 LEU A  49
GLY A  76
TYR A 167
ARG A 188
HIS A 191
HIS A 193
 None
BHO  A1256 ( 3.7A)
FE  A1255 ( 4.3A)
BHO  A1256 (-3.4A)
FE  A1255 ( 3.2A)
FE  A1255 ( 3.4A)
 0.96A 1tmxA-2boyA:
27.8		 1tmxA-2boyA:
23.99
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.
1TMX_A_BEZA881_0
(HYDROXYQUINOL
1,2-DIOXYGENASE)		 2boy 3-CHLOROCATECHOL
1,2-DIOXYGENASE
(Rhodococcus
opacus) 		6 / 11 LEU A  49
TYR A 167
ILE A 169
ARG A 188
HIS A 191
HIS A 193
 None
FE  A1255 ( 4.3A)
None
BHO  A1256 (-3.4A)
FE  A1255 ( 3.2A)
FE  A1255 ( 3.4A)
 1.06A 1tmxA-2boyA:
27.8		 1tmxA-2boyA:
23.99
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.
1TMX_A_BEZA881_0
(HYDROXYQUINOL
1,2-DIOXYGENASE)		 2boy 3-CHLOROCATECHOL
1,2-DIOXYGENASE
(Rhodococcus
opacus) 		7 / 11 PRO A  77
TYR A 133
TYR A 167
ILE A 169
ARG A 188
HIS A 191
HIS A 193
 BHO  A1256 (-4.6A)
FE  A1255 ( 4.2A)
FE  A1255 ( 4.3A)
None
BHO  A1256 (-3.4A)
FE  A1255 ( 3.2A)
FE  A1255 ( 3.4A)
 0.92A 1tmxA-2boyA:
27.8		 1tmxA-2boyA:
23.99
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.
1TMX_B_BEZB882_0
(HYDROXYQUINOL
1,2-DIOXYGENASE)		 2boy 3-CHLOROCATECHOL
1,2-DIOXYGENASE
(Rhodococcus
opacus) 		5 / 12 ASP A  52
TYR A 167
ARG A 188
HIS A 191
HIS A 193
 None
FE  A1255 ( 4.3A)
BHO  A1256 (-3.4A)
FE  A1255 ( 3.2A)
FE  A1255 ( 3.4A)
 1.37A 1tmxB-2boyA:
27.3		 1tmxB-2boyA:
23.99
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.
1TMX_B_BEZB882_0
(HYDROXYQUINOL
1,2-DIOXYGENASE)		 2boy 3-CHLOROCATECHOL
1,2-DIOXYGENASE
(Rhodococcus
opacus) 		7 / 12 GLY A  76
PRO A  77
TYR A 133
TYR A 167
ARG A 188
HIS A 191
HIS A 193
 BHO  A1256 ( 3.7A)
BHO  A1256 (-4.6A)
FE  A1255 ( 4.2A)
FE  A1255 ( 4.3A)
BHO  A1256 (-3.4A)
FE  A1255 ( 3.2A)
FE  A1255 ( 3.4A)
 0.33A 1tmxB-2boyA:
27.3		 1tmxB-2boyA:
23.99
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.
1TMX_B_BEZB882_0
(HYDROXYQUINOL
1,2-DIOXYGENASE)		 2boy 3-CHLOROCATECHOL
1,2-DIOXYGENASE
(Rhodococcus
opacus) 		6 / 12 LEU A  49
GLY A  76
TYR A 167
ARG A 188
HIS A 191
HIS A 193
 None
BHO  A1256 ( 3.7A)
FE  A1255 ( 4.3A)
BHO  A1256 (-3.4A)
FE  A1255 ( 3.2A)
FE  A1255 ( 3.4A)
 1.10A 1tmxB-2boyA:
27.3		 1tmxB-2boyA:
23.99
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.
1TMX_B_BEZB882_0
(HYDROXYQUINOL
1,2-DIOXYGENASE)		 2boy 3-CHLOROCATECHOL
1,2-DIOXYGENASE
(Rhodococcus
opacus) 		6 / 12 PRO A  77
TYR A 133
TYR A 167
ILE A 169
HIS A 191
HIS A 193
 BHO  A1256 (-4.6A)
FE  A1255 ( 4.2A)
FE  A1255 ( 4.3A)
None
FE  A1255 ( 3.2A)
FE  A1255 ( 3.4A)
 0.97A 1tmxB-2boyA:
27.3		 1tmxB-2boyA:
23.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HGI_A_BEZA284_0
(CATECHOL
1,2-DIOXYGENASE)		 2boy 3-CHLOROCATECHOL
1,2-DIOXYGENASE
(Rhodococcus
opacus) 		5 / 12 ASP A  52
ILE A  74
GLY A  76
PRO A  77
TYR A 167
 None
None
BHO  A1256 ( 3.7A)
BHO  A1256 (-4.6A)
FE  A1255 ( 4.3A)
 1.14A 3hgiA-2boyA:
31.9		 3hgiA-2boyA:
44.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HGI_A_BEZA284_0
(CATECHOL
1,2-DIOXYGENASE)		 2boy 3-CHLOROCATECHOL
1,2-DIOXYGENASE
(Rhodococcus
opacus) 		12 / 12 LEU A  49
ASP A  52
VAL A  53
ILE A  74
GLY A  76
PRO A  77
TYR A  78
TYR A 133
TYR A 167
ARG A 188
HIS A 191
HIS A 193
 None
None
BHO  A1256 (-4.0A)
None
BHO  A1256 ( 3.7A)
BHO  A1256 (-4.6A)
BHO  A1256 (-4.1A)
FE  A1255 ( 4.2A)
FE  A1255 ( 4.3A)
BHO  A1256 (-3.4A)
FE  A1255 ( 3.2A)
FE  A1255 ( 3.4A)
 0.51A 3hgiA-2boyA:
31.9		 3hgiA-2boyA:
44.52
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.
3TBG_B_RTZB1_1
(CYTOCHROME P450 2D6)		 2boy 3-CHLOROCATECHOL
1,2-DIOXYGENASE
(Rhodococcus
opacus) 		5 / 12 PHE A  55
LEU A  51
GLY A 176
LEU A 178
ALA A 221
 None
None
None
None
BHO  A1256 ( 4.1A)
 0.95A 3tbgB-2boyA:
undetectable		 3tbgB-2boyA:
19.38