SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3bu7'

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.
1A4L_C_DCFC1353_1
(ADENOSINE DEAMINASE)		 3bu7 GENTISATE
1,2-DIOXYGENASE
(Ruegeria
pomeroyi) 		5 / 12 HIS A 160
PHE A 104
ALA A 123
HIS A 121
HIS A 119
 FE2  A 400 (-3.4A)
None
None
FE2  A 400 (-3.4A)
FE2  A 400 (-3.6A)
 1.13A 1a4lC-3bu7A:
undetectable		 1a4lC-3bu7A:
22.97
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.
1A8U_A_BEZA295_0
(CHLOROPEROXIDASE T)		 3bu7 GENTISATE
1,2-DIOXYGENASE
(Ruegeria
pomeroyi) 		5 / 10 GLY A 275
PHE A 346
MET A 274
PHE A 344
LEU A 153
 None
 1.41A 1a8uA-3bu7A:
undetectable		 1a8uA-3bu7A:
22.44
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.
1A8U_B_BEZB294_0
(CHLOROPEROXIDASE T)		 3bu7 GENTISATE
1,2-DIOXYGENASE
(Ruegeria
pomeroyi) 		5 / 10 GLY A 275
PHE A 346
MET A 274
PHE A 344
LEU A 153
 None
 1.41A 1a8uB-3bu7A:
undetectable		 1a8uB-3bu7A:
22.44
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)		 3bu7 GENTISATE
1,2-DIOXYGENASE
(Ruegeria
pomeroyi) 		5 / 12 LEU A 103
ASP A 348
TYR A 298
HIS A 330
HIS A 292
 None
None
None
FE2  A 500 (-3.4A)
FE2  A 500 (-3.5A)
 1.34A 1tmxB-3bu7A:
undetectable		 1tmxB-3bu7A:
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.
1Y93_A_HAEA301_1
(MACROPHAGE
METALLOELASTASE)		 3bu7 GENTISATE
1,2-DIOXYGENASE
(Ruegeria
pomeroyi) 		4 / 6 ILE A 258
HIS A 290
HIS A 330
HIS A 292
 None
FE2  A 500 (-3.5A)
FE2  A 500 (-3.4A)
FE2  A 500 (-3.5A)
 0.76A 1y93A-3bu7A:
undetectable		 1y93A-3bu7A:
16.50
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.
2BNN_B_FCNB1199_1
(EPOXIDASE)		 3bu7 GENTISATE
1,2-DIOXYGENASE
(Ruegeria
pomeroyi) 		4 / 8 LEU A 363
GLU A 331
HIS A 286
ALA A 289
 None
 0.79A 2bnnA-3bu7A:
7.7
2bnnB-3bu7A:
8.0		 2bnnA-3bu7A:
18.52
2bnnB-3bu7A:
18.52
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.
2Y7H_C_SAMC530_1
(TYPE I RESTRICTION
ENZYME ECOKI M
PROTEIN)		 3bu7 GENTISATE
1,2-DIOXYGENASE
(Ruegeria
pomeroyi) 		3 / 3 TYR A 306
GLU A 331
ASN A 366
 None
 1.01A 2y7hC-3bu7A:
undetectable		 2y7hC-3bu7A:
22.00
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.
3ABK_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bu7 GENTISATE
1,2-DIOXYGENASE
(Ruegeria
pomeroyi) 		3 / 3 HIS A 121
HIS A 160
HIS A 119
 FE2  A 400 (-3.4A)
FE2  A 400 (-3.4A)
FE2  A 400 (-3.6A)
 0.74A 3abkA-3bu7A:
undetectable		 3abkA-3bu7A:
20.11
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.
3ABK_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bu7 GENTISATE
1,2-DIOXYGENASE
(Ruegeria
pomeroyi) 		3 / 3 HIS A 121
HIS A 160
HIS A 119
 FE2  A 400 (-3.4A)
FE2  A 400 (-3.4A)
FE2  A 400 (-3.6A)
 0.73A 3abkN-3bu7A:
undetectable		 3abkN-3bu7A:
20.11
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.
3AG2_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bu7 GENTISATE
1,2-DIOXYGENASE
(Ruegeria
pomeroyi) 		3 / 3 HIS A 121
HIS A 160
HIS A 119
 FE2  A 400 (-3.4A)
FE2  A 400 (-3.4A)
FE2  A 400 (-3.6A)
 0.73A 3ag2A-3bu7A:
undetectable		 3ag2A-3bu7A:
20.11
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.
3AG2_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bu7 GENTISATE
1,2-DIOXYGENASE
(Ruegeria
pomeroyi) 		3 / 3 HIS A 121
HIS A 160
HIS A 119
 FE2  A 400 (-3.4A)
FE2  A 400 (-3.4A)
FE2  A 400 (-3.6A)
 0.74A 3ag2N-3bu7A:
undetectable		 3ag2N-3bu7A:
20.11
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.
3L2W_A_ELVA397_1
(INTEGRASE)		 3bu7 GENTISATE
1,2-DIOXYGENASE
(Ruegeria
pomeroyi) 		4 / 5 ASP A 150
TYR A 233
PRO A 237
GLU A 236
 None
 1.48A 3l2wA-3bu7A:
undetectable		 3l2wA-3bu7A:
21.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NJZ_A_SALA370_1
(GENTISATE
1,2-DIOXYGENASE)		 3bu7 GENTISATE
1,2-DIOXYGENASE
(Ruegeria
pomeroyi) 		6 / 12 GLN A 108
HIS A 119
HIS A 121
ASP A 175
LEU A 177
ILE A 179
 None
FE2  A 400 (-3.6A)
FE2  A 400 (-3.4A)
None
None
None
 0.76A 3njzA-3bu7A:
39.9		 3njzA-3bu7A:
31.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NJZ_A_SALA370_1
(GENTISATE
1,2-DIOXYGENASE)		 3bu7 GENTISATE
1,2-DIOXYGENASE
(Ruegeria
pomeroyi) 		5 / 12 GLN A 279
HIS A 290
HIS A 292
HIS A 330
HIS A 332
 None
FE2  A 500 (-3.5A)
FE2  A 500 (-3.5A)
FE2  A 500 (-3.4A)
None
 0.41A 3njzA-3bu7A:
39.9		 3njzA-3bu7A:
31.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NJZ_A_SALA370_1
(GENTISATE
1,2-DIOXYGENASE)		 3bu7 GENTISATE
1,2-DIOXYGENASE
(Ruegeria
pomeroyi) 		7 / 12 HIS A 119
HIS A 121
HIS A 160
HIS A 162
ASP A 175
LEU A 177
ILE A 179
 FE2  A 400 (-3.6A)
FE2  A 400 (-3.4A)
FE2  A 400 (-3.4A)
None
None
None
None
 0.64A 3njzA-3bu7A:
39.9		 3njzA-3bu7A:
31.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NJZ_A_SALA370_1
(GENTISATE
1,2-DIOXYGENASE)		 3bu7 GENTISATE
1,2-DIOXYGENASE
(Ruegeria
pomeroyi) 		5 / 12 HIS A 160
HIS A 121
ASP A 175
LEU A 177
ILE A 179
 FE2  A 400 (-3.4A)
FE2  A 400 (-3.4A)
None
None
None
 1.39A 3njzA-3bu7A:
39.9		 3njzA-3bu7A:
31.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NVC_A_SALA370_1
(GENTISATE
1,2-DIOXYGENASE)		 3bu7 GENTISATE
1,2-DIOXYGENASE
(Ruegeria
pomeroyi) 		4 / 6 GLN A 108
HIS A 119
HIS A 121
ASP A 175
 None
FE2  A 400 (-3.6A)
FE2  A 400 (-3.4A)
None
 1.07A 3nvcA-3bu7A:
40.2		 3nvcA-3bu7A:
31.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NVC_A_SALA370_1
(GENTISATE
1,2-DIOXYGENASE)		 3bu7 GENTISATE
1,2-DIOXYGENASE
(Ruegeria
pomeroyi) 		4 / 6 GLN A 279
HIS A 290
HIS A 292
HIS A 330
 None
FE2  A 500 (-3.5A)
FE2  A 500 (-3.5A)
FE2  A 500 (-3.4A)
 0.60A 3nvcA-3bu7A:
40.2		 3nvcA-3bu7A:
31.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NVC_A_SALA370_1
(GENTISATE
1,2-DIOXYGENASE)		 3bu7 GENTISATE
1,2-DIOXYGENASE
(Ruegeria
pomeroyi) 		4 / 6 HIS A 119
HIS A 121
HIS A 160
ASP A 175
 FE2  A 400 (-3.6A)
FE2  A 400 (-3.4A)
FE2  A 400 (-3.4A)
None
 0.77A 3nvcA-3bu7A:
40.2		 3nvcA-3bu7A:
31.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NVC_A_SALA370_1
(GENTISATE
1,2-DIOXYGENASE)		 3bu7 GENTISATE
1,2-DIOXYGENASE
(Ruegeria
pomeroyi) 		4 / 6 HIS A 160
HIS A 119
HIS A 121
ASP A 175
 FE2  A 400 (-3.4A)
FE2  A 400 (-3.6A)
FE2  A 400 (-3.4A)
None
 1.20A 3nvcA-3bu7A:
40.2		 3nvcA-3bu7A:
31.50
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.
3S33_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bu7 GENTISATE
1,2-DIOXYGENASE
(Ruegeria
pomeroyi) 		3 / 3 HIS A 121
HIS A 160
HIS A 119
 FE2  A 400 (-3.4A)
FE2  A 400 (-3.4A)
FE2  A 400 (-3.6A)
 0.76A 3s33A-3bu7A:
undetectable		 3s33A-3bu7A:
22.32
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.
3S33_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bu7 GENTISATE
1,2-DIOXYGENASE
(Ruegeria
pomeroyi) 		3 / 3 HIS A 292
HIS A 330
HIS A 290
 FE2  A 500 (-3.5A)
FE2  A 500 (-3.4A)
FE2  A 500 (-3.5A)
 0.76A 3s33A-3bu7A:
undetectable		 3s33A-3bu7A:
22.32
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.
3S38_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bu7 GENTISATE
1,2-DIOXYGENASE
(Ruegeria
pomeroyi) 		3 / 3 HIS A 121
HIS A 160
HIS A 119
 FE2  A 400 (-3.4A)
FE2  A 400 (-3.4A)
FE2  A 400 (-3.6A)
 0.76A 3s38A-3bu7A:
undetectable		 3s38A-3bu7A:
22.32
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.
3S38_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bu7 GENTISATE
1,2-DIOXYGENASE
(Ruegeria
pomeroyi) 		3 / 3 HIS A 292
HIS A 330
HIS A 290
 FE2  A 500 (-3.5A)
FE2  A 500 (-3.4A)
FE2  A 500 (-3.5A)
 0.75A 3s38A-3bu7A:
undetectable		 3s38A-3bu7A:
22.32
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.
3S39_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bu7 GENTISATE
1,2-DIOXYGENASE
(Ruegeria
pomeroyi) 		3 / 3 HIS A 121
HIS A 160
HIS A 119
 FE2  A 400 (-3.4A)
FE2  A 400 (-3.4A)
FE2  A 400 (-3.6A)
 0.75A 3s39A-3bu7A:
undetectable		 3s39A-3bu7A:
22.32
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.
3S39_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bu7 GENTISATE
1,2-DIOXYGENASE
(Ruegeria
pomeroyi) 		3 / 3 HIS A 292
HIS A 330
HIS A 290
 FE2  A 500 (-3.5A)
FE2  A 500 (-3.4A)
FE2  A 500 (-3.5A)
 0.76A 3s39A-3bu7A:
undetectable		 3s39A-3bu7A:
22.32
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.
3S3A_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bu7 GENTISATE
1,2-DIOXYGENASE
(Ruegeria
pomeroyi) 		3 / 3 HIS A 121
HIS A 160
HIS A 119
 FE2  A 400 (-3.4A)
FE2  A 400 (-3.4A)
FE2  A 400 (-3.6A)
 0.77A 3s3aA-3bu7A:
undetectable		 3s3aA-3bu7A:
22.32
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.
3S3A_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bu7 GENTISATE
1,2-DIOXYGENASE
(Ruegeria
pomeroyi) 		3 / 3 HIS A 292
HIS A 330
HIS A 290
 FE2  A 500 (-3.5A)
FE2  A 500 (-3.4A)
FE2  A 500 (-3.5A)
 0.77A 3s3aA-3bu7A:
undetectable		 3s3aA-3bu7A:
22.32
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.
3S3B_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bu7 GENTISATE
1,2-DIOXYGENASE
(Ruegeria
pomeroyi) 		3 / 3 HIS A 121
HIS A 160
HIS A 119
 FE2  A 400 (-3.4A)
FE2  A 400 (-3.4A)
FE2  A 400 (-3.6A)
 0.80A 3s3bA-3bu7A:
undetectable		 3s3bA-3bu7A:
22.32
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.
3S3B_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bu7 GENTISATE
1,2-DIOXYGENASE
(Ruegeria
pomeroyi) 		3 / 3 HIS A 292
HIS A 330
HIS A 290
 FE2  A 500 (-3.5A)
FE2  A 500 (-3.4A)
FE2  A 500 (-3.5A)
 0.80A 3s3bA-3bu7A:
undetectable		 3s3bA-3bu7A:
22.32
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.
3S3C_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bu7 GENTISATE
1,2-DIOXYGENASE
(Ruegeria
pomeroyi) 		3 / 3 HIS A 121
HIS A 160
HIS A 119
 FE2  A 400 (-3.4A)
FE2  A 400 (-3.4A)
FE2  A 400 (-3.6A)
 0.75A 3s3cA-3bu7A:
undetectable		 3s3cA-3bu7A:
22.32
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.
3S3C_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bu7 GENTISATE
1,2-DIOXYGENASE
(Ruegeria
pomeroyi) 		3 / 3 HIS A 292
HIS A 330
HIS A 290
 FE2  A 500 (-3.5A)
FE2  A 500 (-3.4A)
FE2  A 500 (-3.5A)
 0.74A 3s3cA-3bu7A:
undetectable		 3s3cA-3bu7A:
22.32
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.
3S3D_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bu7 GENTISATE
1,2-DIOXYGENASE
(Ruegeria
pomeroyi) 		3 / 3 HIS A 121
HIS A 160
HIS A 119
 FE2  A 400 (-3.4A)
FE2  A 400 (-3.4A)
FE2  A 400 (-3.6A)
 0.73A 3s3dA-3bu7A:
undetectable		 3s3dA-3bu7A:
22.32
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.
3S3D_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bu7 GENTISATE
1,2-DIOXYGENASE
(Ruegeria
pomeroyi) 		3 / 3 HIS A 292
HIS A 330
HIS A 290
 FE2  A 500 (-3.5A)
FE2  A 500 (-3.4A)
FE2  A 500 (-3.5A)
 0.74A 3s3dA-3bu7A:
undetectable		 3s3dA-3bu7A:
22.32
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.
3X2Q_A_CUA604_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bu7 GENTISATE
1,2-DIOXYGENASE
(Ruegeria
pomeroyi) 		3 / 3 HIS A 121
HIS A 160
HIS A 119
 FE2  A 400 (-3.4A)
FE2  A 400 (-3.4A)
FE2  A 400 (-3.6A)
 0.75A 3x2qA-3bu7A:
undetectable		 3x2qA-3bu7A:
20.11
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.
4FFW_A_715A801_1
(DIPEPTIDYL PEPTIDASE
4)		 3bu7 GENTISATE
1,2-DIOXYGENASE
(Ruegeria
pomeroyi) 		5 / 12 GLY A 251
ARG A 282
VAL A 324
TYR A 298
HIS A 292
 None
None
None
None
FE2  A 500 (-3.5A)
 1.30A 4ffwA-3bu7A:
undetectable		 4ffwA-3bu7A:
19.95
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.
4LRH_D_FOLD301_1
(FOLATE RECEPTOR
ALPHA)		 3bu7 GENTISATE
1,2-DIOXYGENASE
(Ruegeria
pomeroyi) 		3 / 3 HIS A 290
TRP A 327
SER A 252
 FE2  A 500 (-3.5A)
None
None
 1.10A 4lrhD-3bu7A:
undetectable		 4lrhD-3bu7A:
19.90
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.
5B3S_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bu7 GENTISATE
1,2-DIOXYGENASE
(Ruegeria
pomeroyi) 		3 / 3 HIS A 121
HIS A 160
HIS A 119
 FE2  A 400 (-3.4A)
FE2  A 400 (-3.4A)
FE2  A 400 (-3.6A)
 0.74A 5b3sA-3bu7A:
undetectable		 5b3sA-3bu7A:
20.11
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.
5B3S_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bu7 GENTISATE
1,2-DIOXYGENASE
(Ruegeria
pomeroyi) 		3 / 3 HIS A 121
HIS A 160
HIS A 119
 FE2  A 400 (-3.4A)
FE2  A 400 (-3.4A)
FE2  A 400 (-3.6A)
 0.75A 5b3sN-3bu7A:
undetectable		 5b3sN-3bu7A:
20.11
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.
5GLM_A_ACTA613_0
(GLYCOSIDE HYDROLASE
FAMILY 43)		 3bu7 GENTISATE
1,2-DIOXYGENASE
(Ruegeria
pomeroyi) 		3 / 3 ASP A 255
SER A 345
TYR A 298
 FE2  A 500 ( 3.8A)
None
None
 0.71A 5glmA-3bu7A:
undetectable		 5glmA-3bu7A:
25.62
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.
5N5K_A_HAEA306_1
(MACROPHAGE
METALLOELASTASE)		 3bu7 GENTISATE
1,2-DIOXYGENASE
(Ruegeria
pomeroyi) 		4 / 5 ILE A 258
HIS A 290
HIS A 330
HIS A 292
 None
FE2  A 500 (-3.5A)
FE2  A 500 (-3.4A)
FE2  A 500 (-3.5A)
 0.82A 5n5kA-3bu7A:
undetectable		 5n5kA-3bu7A:
18.49
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.
5TT3_G_EZLG303_1
(ALPHA-CARBONIC
ANHYDRASE)		 3bu7 GENTISATE
1,2-DIOXYGENASE
(Ruegeria
pomeroyi) 		5 / 9 HIS A 330
HIS A 290
HIS A 292
VAL A 324
VAL A 296
 FE2  A 500 (-3.4A)
FE2  A 500 (-3.5A)
FE2  A 500 (-3.5A)
None
None
 1.35A 5tt3G-3bu7A:
undetectable		 5tt3G-3bu7A:
21.37
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.
5WAU_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bu7 GENTISATE
1,2-DIOXYGENASE
(Ruegeria
pomeroyi) 		3 / 3 HIS A 121
HIS A 160
HIS A 119
 FE2  A 400 (-3.4A)
FE2  A 400 (-3.4A)
FE2  A 400 (-3.6A)
 0.75A 5waua-3bu7A:
undetectable		 5waua-3bu7A:
20.11
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.
5X19_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bu7 GENTISATE
1,2-DIOXYGENASE
(Ruegeria
pomeroyi) 		3 / 3 HIS A 121
HIS A 160
HIS A 119
 FE2  A 400 (-3.4A)
FE2  A 400 (-3.4A)
FE2  A 400 (-3.6A)
 0.71A 5x19A-3bu7A:
undetectable		 5x19A-3bu7A:
20.11
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.
5X19_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bu7 GENTISATE
1,2-DIOXYGENASE
(Ruegeria
pomeroyi) 		3 / 3 HIS A 292
HIS A 330
HIS A 290
 FE2  A 500 (-3.5A)
FE2  A 500 (-3.4A)
FE2  A 500 (-3.5A)
 0.74A 5x19A-3bu7A:
undetectable		 5x19A-3bu7A:
20.11
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.
5X19_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bu7 GENTISATE
1,2-DIOXYGENASE
(Ruegeria
pomeroyi) 		3 / 3 HIS A 121
HIS A 160
HIS A 119
 FE2  A 400 (-3.4A)
FE2  A 400 (-3.4A)
FE2  A 400 (-3.6A)
 0.70A 5x19N-3bu7A:
undetectable		 5x19N-3bu7A:
20.11
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.
5X19_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bu7 GENTISATE
1,2-DIOXYGENASE
(Ruegeria
pomeroyi) 		3 / 3 HIS A 292
HIS A 330
HIS A 290
 FE2  A 500 (-3.5A)
FE2  A 500 (-3.4A)
FE2  A 500 (-3.5A)
 0.72A 5x19N-3bu7A:
undetectable		 5x19N-3bu7A:
20.11
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.
5X1B_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bu7 GENTISATE
1,2-DIOXYGENASE
(Ruegeria
pomeroyi) 		3 / 3 HIS A 121
HIS A 160
HIS A 119
 FE2  A 400 (-3.4A)
FE2  A 400 (-3.4A)
FE2  A 400 (-3.6A)
 0.70A 5x1bA-3bu7A:
undetectable		 5x1bA-3bu7A:
20.11
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.
5X1B_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bu7 GENTISATE
1,2-DIOXYGENASE
(Ruegeria
pomeroyi) 		3 / 3 HIS A 121
HIS A 160
HIS A 119
 FE2  A 400 (-3.4A)
FE2  A 400 (-3.4A)
FE2  A 400 (-3.6A)
 0.69A 5x1bN-3bu7A:
undetectable		 5x1bN-3bu7A:
20.11
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.
5X1F_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bu7 GENTISATE
1,2-DIOXYGENASE
(Ruegeria
pomeroyi) 		3 / 3 HIS A 121
HIS A 160
HIS A 119
 FE2  A 400 (-3.4A)
FE2  A 400 (-3.4A)
FE2  A 400 (-3.6A)
 0.72A 5x1fA-3bu7A:
undetectable		 5x1fA-3bu7A:
20.11
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.
6B89_A_NOVA403_2
(LIPOPOLYSACCHARIDE
EXPORT SYSTEM
ATP-BINDING PROTEIN
LPTB)		 3bu7 GENTISATE
1,2-DIOXYGENASE
(Ruegeria
pomeroyi) 		4 / 6 PHE A 151
ARG A 127
LEU A 126
ALA A 276
 None
 0.89A 6b89B-3bu7A:
undetectable		 6b89B-3bu7A:
13.93
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.
6GIQ_A_CUA601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bu7 GENTISATE
1,2-DIOXYGENASE
(Ruegeria
pomeroyi) 		3 / 3 HIS A 121
HIS A 160
HIS A 119
 FE2  A 400 (-3.4A)
FE2  A 400 (-3.4A)
FE2  A 400 (-3.6A)
 0.73A 6giqa-3bu7A:
undetectable		 6giqa-3bu7A:
22.64
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.
6GIQ_A_CUA601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bu7 GENTISATE
1,2-DIOXYGENASE
(Ruegeria
pomeroyi) 		3 / 3 HIS A 292
HIS A 330
HIS A 290
 FE2  A 500 (-3.5A)
FE2  A 500 (-3.4A)
FE2  A 500 (-3.5A)
 0.67A 6giqa-3bu7A:
undetectable		 6giqa-3bu7A:
22.64
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.
6NMF_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bu7 GENTISATE
1,2-DIOXYGENASE
(Ruegeria
pomeroyi) 		3 / 3 HIS A 121
HIS A 160
HIS A 119
 FE2  A 400 (-3.4A)
FE2  A 400 (-3.4A)
FE2  A 400 (-3.6A)
 0.72A 6nmfA-3bu7A:
undetectable		 6nmfA-3bu7A:
20.11
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.
6NMP_A_CUA601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bu7 GENTISATE
1,2-DIOXYGENASE
(Ruegeria
pomeroyi) 		3 / 3 HIS A 121
HIS A 160
HIS A 119
 FE2  A 400 (-3.4A)
FE2  A 400 (-3.4A)
FE2  A 400 (-3.6A)
 0.76A 6nmpA-3bu7A:
undetectable		 6nmpA-3bu7A:
20.11