SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1s9a'

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
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.
1HRK_A_CHDA1503_0
(FERROCHELATASE)		 1s9a CHLOROCATECHOL
1,2-DIOXYGENASE
(Rhodococcus
opacus) 		3 / 3 LEU A 141
PRO A 142
LEU A 146
 None
 0.48A 1hrkA-1s9aA:
undetectable		 1hrkA-1s9aA:
22.50
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.
1MX1_E_THAE5_2
(LIVER
CARBOXYLESTERASE I)		 1s9a CHLOROCATECHOL
1,2-DIOXYGENASE
(Rhodococcus
opacus) 		3 / 3 PHE A 252
LEU A 211
LEU A 233
 None
 0.56A 1mx1E-1s9aA:
undetectable		 1mx1E-1s9aA:
17.95
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)		 1s9a CHLOROCATECHOL
1,2-DIOXYGENASE
(Rhodococcus
opacus) 		11 / 11 LEU A  49
ASP A  52
ILE A  74
GLY A  76
PRO A  77
TYR A 134
TYR A 169
ARG A 191
HIS A 194
HIS A 196
CYH A 224
 BEZ  A 306 (-4.5A)
TAM  A 305 ( 2.7A)
None
BEZ  A 306 ( 3.5A)
TAM  A 305 ( 4.4A)
FE  A 300 ( 4.3A)
FE  A 300 ( 4.5A)
BEZ  A 306 (-3.8A)
FE  A 300 ( 3.2A)
FE  A 300 ( 3.4A)
BEZ  A 306 (-3.5A)
 0.00A 1s9aA-1s9aA:
40.7		 1s9aA-1s9aA:
100.00
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)		 1s9a CHLOROCATECHOL
1,2-DIOXYGENASE
(Rhodococcus
opacus) 		12 / 12 LEU A  49
ASP A  52
ILE A  74
GLY A  76
PRO A  77
TYR A 134
TYR A 169
ARG A 191
HIS A 194
HIS A 196
GLN A 210
CYH A 224
 BEZ  A 306 (-4.5A)
TAM  A 305 ( 2.7A)
None
BEZ  A 306 ( 3.5A)
TAM  A 305 ( 4.4A)
FE  A 300 ( 4.3A)
FE  A 300 ( 4.5A)
BEZ  A 306 (-3.8A)
FE  A 300 ( 3.2A)
FE  A 300 ( 3.4A)
BEZ  A 306 ( 4.0A)
BEZ  A 306 (-3.5A)
 0.25A 1s9aB-1s9aA:
36.3		 1s9aB-1s9aA:
100.00
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)		 1s9a CHLOROCATECHOL
1,2-DIOXYGENASE
(Rhodococcus
opacus) 		7 / 11 GLY A  76
PRO A  77
TYR A 134
TYR A 169
ARG A 191
HIS A 194
HIS A 196
 BEZ  A 306 ( 3.5A)
TAM  A 305 ( 4.4A)
FE  A 300 ( 4.3A)
FE  A 300 ( 4.5A)
BEZ  A 306 (-3.8A)
FE  A 300 ( 3.2A)
FE  A 300 ( 3.4A)
 0.30A 1tmxA-1s9aA:
28.4		 1tmxA-1s9aA:
30.00
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)		 1s9a CHLOROCATECHOL
1,2-DIOXYGENASE
(Rhodococcus
opacus) 		6 / 11 LEU A  49
GLY A  76
TYR A 169
ARG A 191
HIS A 194
HIS A 196
 BEZ  A 306 (-4.5A)
BEZ  A 306 ( 3.5A)
FE  A 300 ( 4.5A)
BEZ  A 306 (-3.8A)
FE  A 300 ( 3.2A)
FE  A 300 ( 3.4A)
 1.05A 1tmxA-1s9aA:
28.4		 1tmxA-1s9aA:
30.00
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)		 1s9a CHLOROCATECHOL
1,2-DIOXYGENASE
(Rhodococcus
opacus) 		5 / 11 LEU A  49
TYR A 169
ILE A 171
HIS A 194
HIS A 196
 BEZ  A 306 (-4.5A)
FE  A 300 ( 4.5A)
None
FE  A 300 ( 3.2A)
FE  A 300 ( 3.4A)
 1.02A 1tmxA-1s9aA:
28.4		 1tmxA-1s9aA:
30.00
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)		 1s9a CHLOROCATECHOL
1,2-DIOXYGENASE
(Rhodococcus
opacus) 		6 / 11 PRO A  77
TYR A 134
TYR A 169
ILE A 171
HIS A 194
HIS A 196
 TAM  A 305 ( 4.4A)
FE  A 300 ( 4.3A)
FE  A 300 ( 4.5A)
None
FE  A 300 ( 3.2A)
FE  A 300 ( 3.4A)
 0.82A 1tmxA-1s9aA:
28.4		 1tmxA-1s9aA:
30.00
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)		 1s9a CHLOROCATECHOL
1,2-DIOXYGENASE
(Rhodococcus
opacus) 		7 / 12 GLY A  76
PRO A  77
TYR A 134
TYR A 169
ARG A 191
HIS A 194
HIS A 196
 BEZ  A 306 ( 3.5A)
TAM  A 305 ( 4.4A)
FE  A 300 ( 4.3A)
FE  A 300 ( 4.5A)
BEZ  A 306 (-3.8A)
FE  A 300 ( 3.2A)
FE  A 300 ( 3.4A)
 0.37A 1tmxB-1s9aA:
27.7		 1tmxB-1s9aA:
30.00
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)		 1s9a CHLOROCATECHOL
1,2-DIOXYGENASE
(Rhodococcus
opacus) 		6 / 12 PRO A  77
TYR A 134
TYR A 169
ILE A 171
HIS A 194
HIS A 196
 TAM  A 305 ( 4.4A)
FE  A 300 ( 4.3A)
FE  A 300 ( 4.5A)
None
FE  A 300 ( 3.2A)
FE  A 300 ( 3.4A)
 0.89A 1tmxB-1s9aA:
27.7		 1tmxB-1s9aA:
30.00
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.
3GP0_A_NILA1_2
(MITOGEN-ACTIVATED
PROTEIN KINASE 11)		 1s9a CHLOROCATECHOL
1,2-DIOXYGENASE
(Rhodococcus
opacus) 		4 / 7 ARG A 165
VAL A 151
LEU A 147
ILE A 123
 None
 0.95A 3gp0A-1s9aA:
undetectable		 3gp0A-1s9aA:
19.21
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)		 1s9a CHLOROCATECHOL
1,2-DIOXYGENASE
(Rhodococcus
opacus) 		10 / 12 LEU A  49
ASP A  52
ILE A  74
GLY A  76
PRO A  77
TYR A 134
TYR A 169
ARG A 191
HIS A 194
HIS A 196
 BEZ  A 306 (-4.5A)
TAM  A 305 ( 2.7A)
None
BEZ  A 306 ( 3.5A)
TAM  A 305 ( 4.4A)
FE  A 300 ( 4.3A)
FE  A 300 ( 4.5A)
BEZ  A 306 (-3.8A)
FE  A 300 ( 3.2A)
FE  A 300 ( 3.4A)
 0.36A 3hgiA-1s9aA:
30.7		 3hgiA-1s9aA:
38.81
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.
3LXE_A_TORA262_1
(CARBONIC ANHYDRASE 1)		 1s9a CHLOROCATECHOL
1,2-DIOXYGENASE
(Rhodococcus
opacus) 		5 / 12 SER A 128
PHE A 161
VAL A 248
LEU A 211
HIS A 196
 None
None
None
None
FE  A 300 ( 3.4A)
 1.45A 3lxeA-1s9aA:
undetectable		 3lxeA-1s9aA:
20.96
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.
3T3R_A_9PLA501_1
(CYTOCHROME P450 2A6)		 1s9a CHLOROCATECHOL
1,2-DIOXYGENASE
(Rhodococcus
opacus) 		5 / 11 PHE A 106
PHE A 252
ILE A 197
THR A  70
LEU A 233
 None
 1.15A 3t3rA-1s9aA:
0.0		 3t3rA-1s9aA:
20.62
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.
4XYZ_A_ACTA103_0
(POLYUBIQUITIN-C)		 1s9a CHLOROCATECHOL
1,2-DIOXYGENASE
(Rhodococcus
opacus) 		4 / 4 LEU A  93
ILE A 195
HIS A 127
VAL A 125
 None
 0.85A 4xyzA-1s9aA:
undetectable		 4xyzA-1s9aA:
15.50
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.
5V4V_A_NCAA402_0
(NADPH DEHYDROGENASE
3)		 1s9a CHLOROCATECHOL
1,2-DIOXYGENASE
(Rhodococcus
opacus) 		4 / 8 HIS A 194
TYR A 169
PHE A  78
PRO A  77
 FE  A 300 ( 3.2A)
FE  A 300 ( 4.5A)
BEZ  A 306 (-4.9A)
TAM  A 305 ( 4.4A)
 1.22A 5v4vA-1s9aA:
undetectable		 5v4vA-1s9aA:
20.94
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.
5V4V_B_NCAB402_0
(NADPH DEHYDROGENASE
3)		 1s9a CHLOROCATECHOL
1,2-DIOXYGENASE
(Rhodococcus
opacus) 		4 / 8 HIS A 194
TYR A 169
PHE A  78
PRO A  77
 FE  A 300 ( 3.2A)
FE  A 300 ( 4.5A)
BEZ  A 306 (-4.9A)
TAM  A 305 ( 4.4A)
 1.19A 5v4vB-1s9aA:
undetectable		 5v4vB-1s9aA:
20.94
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.
5YBB_A_SAMA601_0
(TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLTRANSFERASE
SUBUNIT)		 1s9a CHLOROCATECHOL
1,2-DIOXYGENASE
(Rhodococcus
opacus) 		5 / 12 ALA A  53
GLY A  76
THR A 177
LEU A 180
PHE A  54
 BEZ  A 306 (-4.0A)
BEZ  A 306 ( 3.5A)
None
None
None
 1.16A 5ybbA-1s9aA:
undetectable		 5ybbA-1s9aA:
18.83
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.
6NKN_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 1s9a CHLOROCATECHOL
1,2-DIOXYGENASE
(Rhodococcus
opacus) 		3 / 3 ARG A   5
LEU A   9
PHE A  13
 None
HGP  A 304 ( 4.5A)
HGP  A 304 (-3.9A)
 0.79A 6nknP-1s9aA:
undetectable		 6nknP-1s9aA:
20.00