SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4bk1'

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.
1DMA_A_NCAA700_0
(EXOTOXIN A)		 4bk1 PROBABLE SALICYLATE
MONOOXYGENASE
(Rhodococcus
jostii) 		4 / 7 HIS A  53
GLY A  51
LEU A  58
ALA A  55
 None
 0.85A 1dmaA-4bk1A:
undetectable		 1dmaA-4bk1A:
21.96
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.
1HK3_A_T44A3001_1
(SERUM ALBUMIN)		 4bk1 PROBABLE SALICYLATE
MONOOXYGENASE
(Rhodococcus
jostii) 		5 / 11 PRO A 246
LEU A 249
LEU A 267
ARG A 187
ALA A 185
 None
None
None
FAD  A1398 (-3.6A)
FAD  A1398 ( 4.0A)
 1.49A 1hk3A-4bk1A:
undetectable		 1hk3A-4bk1A:
20.40
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.
1SG9_A_SAMA301_0
(HEMK PROTEIN)		 4bk1 PROBABLE SALICYLATE
MONOOXYGENASE
(Rhodococcus
jostii) 		5 / 12 ILE A 158
GLY A 161
ILE A  11
VAL A 285
ASN A  21
 None
 1.04A 1sg9A-4bk1A:
undetectable		 1sg9A-4bk1A:
22.40
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.
1UOB_A_PNNA1311_1
(DEACETOXYCEPHALOSPOR
IN C SYNTHETASE)		 4bk1 PROBABLE SALICYLATE
MONOOXYGENASE
(Rhodococcus
jostii) 		3 / 3 ARG A 110
ARG A 187
ILE A 215
 FAD  A1398 (-2.6A)
FAD  A1398 (-3.6A)
P3A  A1399 (-4.4A)
 0.79A 1uobA-4bk1A:
undetectable		 1uobA-4bk1A:
22.15
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.
1V54_C_CHDC3525_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE III)		 4bk1 PROBABLE SALICYLATE
MONOOXYGENASE
(Rhodococcus
jostii) 		4 / 7 TRP A 358
ASP A 388
THR A 387
TYR A 386
 P3A  A1399 (-4.0A)
None
P3A  A1399 ( 4.8A)
P3A  A1399 (-3.7A)
 1.46A 1v54A-4bk1A:
undetectable
1v54C-4bk1A:
undetectable		 1v54A-4bk1A:
21.45
1v54C-4bk1A:
18.57
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.
1V54_P_CHDP4525_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE III)		 4bk1 PROBABLE SALICYLATE
MONOOXYGENASE
(Rhodococcus
jostii) 		4 / 7 TRP A 358
ASP A 388
THR A 387
TYR A 386
 P3A  A1399 (-4.0A)
None
P3A  A1399 ( 4.8A)
P3A  A1399 (-3.7A)
 1.46A 1v54N-4bk1A:
undetectable
1v54P-4bk1A:
undetectable		 1v54N-4bk1A:
21.45
1v54P-4bk1A:
18.57
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.
1V55_C_CHDC3525_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE III)		 4bk1 PROBABLE SALICYLATE
MONOOXYGENASE
(Rhodococcus
jostii) 		4 / 7 TRP A 358
ASP A 388
THR A 387
TYR A 386
 P3A  A1399 (-4.0A)
None
P3A  A1399 ( 4.8A)
P3A  A1399 (-3.7A)
 1.49A 1v55A-4bk1A:
undetectable
1v55C-4bk1A:
undetectable		 1v55A-4bk1A:
21.45
1v55C-4bk1A:
18.57
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.
1WG8_A_SAMA3142_0
(PREDICTED
S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		 4bk1 PROBABLE SALICYLATE
MONOOXYGENASE
(Rhodococcus
jostii) 		5 / 12 GLY A  17
GLY A  18
GLY A  14
ASP A 313
HIS A 297
 FAD  A1398 (-3.3A)
None
FAD  A1398 ( 4.6A)
None
None
 1.16A 1wg8A-4bk1A:
2.6		 1wg8A-4bk1A:
22.15
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.
1WG8_B_SAMB3141_0
(PREDICTED
S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		 4bk1 PROBABLE SALICYLATE
MONOOXYGENASE
(Rhodococcus
jostii) 		5 / 12 GLY A  17
GLY A  18
GLY A  14
ASP A 313
HIS A 297
 FAD  A1398 (-3.3A)
None
FAD  A1398 ( 4.6A)
None
None
 1.15A 1wg8B-4bk1A:
2.8		 1wg8B-4bk1A:
22.15
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.
2DYR_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4bk1 PROBABLE SALICYLATE
MONOOXYGENASE
(Rhodococcus
jostii) 		4 / 7 TRP A 358
ASP A 388
THR A 387
TYR A 386
 P3A  A1399 (-4.0A)
None
P3A  A1399 ( 4.8A)
P3A  A1399 (-3.7A)
 1.46A 2dyrA-4bk1A:
undetectable
2dyrC-4bk1A:
undetectable		 2dyrA-4bk1A:
21.45
2dyrC-4bk1A:
18.57
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.
2DYR_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4bk1 PROBABLE SALICYLATE
MONOOXYGENASE
(Rhodococcus
jostii) 		4 / 7 TRP A 358
ASP A 388
THR A 387
TYR A 386
 P3A  A1399 (-4.0A)
None
P3A  A1399 ( 4.8A)
P3A  A1399 (-3.7A)
 1.47A 2dyrN-4bk1A:
undetectable
2dyrP-4bk1A:
undetectable		 2dyrN-4bk1A:
21.45
2dyrP-4bk1A:
18.57
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.
2EIJ_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4bk1 PROBABLE SALICYLATE
MONOOXYGENASE
(Rhodococcus
jostii) 		4 / 7 TRP A 358
ASP A 388
THR A 387
TYR A 386
 P3A  A1399 (-4.0A)
None
P3A  A1399 ( 4.8A)
P3A  A1399 (-3.7A)
 1.48A 2eijA-4bk1A:
undetectable
2eijC-4bk1A:
undetectable		 2eijA-4bk1A:
21.45
2eijC-4bk1A:
18.57
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.
2EIJ_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4bk1 PROBABLE SALICYLATE
MONOOXYGENASE
(Rhodococcus
jostii) 		4 / 7 TRP A 358
ASP A 388
THR A 387
TYR A 386
 P3A  A1399 (-4.0A)
None
P3A  A1399 ( 4.8A)
P3A  A1399 (-3.7A)
 1.47A 2eijN-4bk1A:
undetectable
2eijP-4bk1A:
undetectable		 2eijN-4bk1A:
21.45
2eijP-4bk1A:
18.57
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.
2EIK_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4bk1 PROBABLE SALICYLATE
MONOOXYGENASE
(Rhodococcus
jostii) 		4 / 7 TRP A 358
ASP A 388
THR A 387
TYR A 386
 P3A  A1399 (-4.0A)
None
P3A  A1399 ( 4.8A)
P3A  A1399 (-3.7A)
 1.45A 2eikA-4bk1A:
undetectable
2eikC-4bk1A:
undetectable		 2eikA-4bk1A:
21.45
2eikC-4bk1A:
18.57
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.
2EIK_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4bk1 PROBABLE SALICYLATE
MONOOXYGENASE
(Rhodococcus
jostii) 		4 / 7 TRP A 358
ASP A 388
THR A 387
TYR A 386
 P3A  A1399 (-4.0A)
None
P3A  A1399 ( 4.8A)
P3A  A1399 (-3.7A)
 1.48A 2eikN-4bk1A:
undetectable
2eikP-4bk1A:
undetectable		 2eikN-4bk1A:
21.45
2eikP-4bk1A:
18.57
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.
2EIL_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4bk1 PROBABLE SALICYLATE
MONOOXYGENASE
(Rhodococcus
jostii) 		4 / 7 TRP A 358
ASP A 388
THR A 387
TYR A 386
 P3A  A1399 (-4.0A)
None
P3A  A1399 ( 4.8A)
P3A  A1399 (-3.7A)
 1.44A 2eilA-4bk1A:
undetectable
2eilC-4bk1A:
undetectable		 2eilA-4bk1A:
21.45
2eilC-4bk1A:
18.57
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.
2EIL_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4bk1 PROBABLE SALICYLATE
MONOOXYGENASE
(Rhodococcus
jostii) 		4 / 7 TRP A 358
ASP A 388
THR A 387
TYR A 386
 P3A  A1399 (-4.0A)
None
P3A  A1399 ( 4.8A)
P3A  A1399 (-3.7A)
 1.48A 2eilN-4bk1A:
1.3
2eilP-4bk1A:
undetectable		 2eilN-4bk1A:
21.45
2eilP-4bk1A:
18.57
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.
2KCE_B_D16B568_1
(THYMIDYLATE SYNTHASE)		 4bk1 PROBABLE SALICYLATE
MONOOXYGENASE
(Rhodococcus
jostii) 		5 / 12 LEU A  34
ASP A 163
LEU A 169
GLY A 161
VAL A 134
 None
FAD  A1398 (-4.9A)
None
None
FAD  A1398 (-4.0A)
 1.23A 2kceB-4bk1A:
undetectable		 2kceB-4bk1A:
21.98
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.
2NPN_A_SAMA4633_0
(PUTATIVE COBALAMIN
SYNTHESIS RELATED
PROTEIN)		 4bk1 PROBABLE SALICYLATE
MONOOXYGENASE
(Rhodococcus
jostii) 		5 / 9 GLY A 221
LEU A 219
TYR A 217
ALA A  71
LEU A  68
 None
None
3HB  A1400 (-4.3A)
None
None
 1.02A 2npnA-4bk1A:
undetectable		 2npnA-4bk1A:
23.60
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.
2Y69_A_CHDA1517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4bk1 PROBABLE SALICYLATE
MONOOXYGENASE
(Rhodococcus
jostii) 		4 / 7 TRP A 358
ASP A 388
THR A 387
TYR A 386
 P3A  A1399 (-4.0A)
None
P3A  A1399 ( 4.8A)
P3A  A1399 (-3.7A)
 1.49A 2y69A-4bk1A:
undetectable
2y69C-4bk1A:
undetectable		 2y69A-4bk1A:
21.45
2y69C-4bk1A:
18.57
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_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4bk1 PROBABLE SALICYLATE
MONOOXYGENASE
(Rhodococcus
jostii) 		4 / 7 TRP A 358
ASP A 388
THR A 387
TYR A 386
 P3A  A1399 (-4.0A)
None
P3A  A1399 ( 4.8A)
P3A  A1399 (-3.7A)
 1.47A 3abkA-4bk1A:
undetectable
3abkC-4bk1A:
undetectable		 3abkA-4bk1A:
21.45
3abkC-4bk1A:
18.57
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_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4bk1 PROBABLE SALICYLATE
MONOOXYGENASE
(Rhodococcus
jostii) 		4 / 7 TRP A 358
ASP A 388
THR A 387
TYR A 386
 P3A  A1399 (-4.0A)
None
P3A  A1399 ( 4.8A)
P3A  A1399 (-3.7A)
 1.45A 3abkN-4bk1A:
undetectable
3abkP-4bk1A:
undetectable		 3abkN-4bk1A:
21.45
3abkP-4bk1A:
18.57
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.
3ABM_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4bk1 PROBABLE SALICYLATE
MONOOXYGENASE
(Rhodococcus
jostii) 		4 / 7 TRP A 358
ASP A 388
THR A 387
TYR A 386
 P3A  A1399 (-4.0A)
None
P3A  A1399 ( 4.8A)
P3A  A1399 (-3.7A)
 1.45A 3abmN-4bk1A:
undetectable
3abmP-4bk1A:
undetectable		 3abmN-4bk1A:
21.45
3abmP-4bk1A:
18.57
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_CHDA525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4bk1 PROBABLE SALICYLATE
MONOOXYGENASE
(Rhodococcus
jostii) 		4 / 7 TRP A 358
ASP A 388
THR A 387
TYR A 386
 P3A  A1399 (-4.0A)
None
P3A  A1399 ( 4.8A)
P3A  A1399 (-3.7A)
 1.47A 3ag2A-4bk1A:
undetectable
3ag2C-4bk1A:
undetectable		 3ag2A-4bk1A:
21.45
3ag2C-4bk1A:
18.57
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_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4bk1 PROBABLE SALICYLATE
MONOOXYGENASE
(Rhodococcus
jostii) 		4 / 7 TRP A 358
ASP A 388
THR A 387
TYR A 386
 P3A  A1399 (-4.0A)
None
P3A  A1399 ( 4.8A)
P3A  A1399 (-3.7A)
 1.49A 3ag2N-4bk1A:
undetectable
3ag2P-4bk1A:
undetectable		 3ag2N-4bk1A:
21.45
3ag2P-4bk1A:
18.57
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.
3AG3_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4bk1 PROBABLE SALICYLATE
MONOOXYGENASE
(Rhodococcus
jostii) 		4 / 7 TRP A 358
ASP A 388
THR A 387
TYR A 386
 P3A  A1399 (-4.0A)
None
P3A  A1399 ( 4.8A)
P3A  A1399 (-3.7A)
 1.49A 3ag3A-4bk1A:
undetectable
3ag3C-4bk1A:
undetectable		 3ag3A-4bk1A:
21.45
3ag3C-4bk1A:
18.57
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.
3AG3_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4bk1 PROBABLE SALICYLATE
MONOOXYGENASE
(Rhodococcus
jostii) 		4 / 7 TRP A 358
ASP A 388
THR A 387
TYR A 386
 P3A  A1399 (-4.0A)
None
P3A  A1399 ( 4.8A)
P3A  A1399 (-3.7A)
 1.43A 3ag3N-4bk1A:
undetectable
3ag3P-4bk1A:
undetectable		 3ag3N-4bk1A:
21.45
3ag3P-4bk1A:
18.57
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.
3AG4_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4bk1 PROBABLE SALICYLATE
MONOOXYGENASE
(Rhodococcus
jostii) 		4 / 7 TRP A 358
ASP A 388
THR A 387
TYR A 386
 P3A  A1399 (-4.0A)
None
P3A  A1399 ( 4.8A)
P3A  A1399 (-3.7A)
 1.49A 3ag4A-4bk1A:
undetectable
3ag4C-4bk1A:
undetectable		 3ag4A-4bk1A:
21.45
3ag4C-4bk1A:
18.57
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.
3EM4_A_DR7A100_2
(PROTEASE)		 4bk1 PROBABLE SALICYLATE
MONOOXYGENASE
(Rhodococcus
jostii) 		5 / 9 ALA A 310
ASP A 313
GLY A 164
LEU A 165
ILE A  16
 FAD  A1398 ( 4.5A)
None
FAD  A1398 (-3.4A)
None
FAD  A1398 (-4.6A)
 1.06A 3em4B-4bk1A:
undetectable		 3em4B-4bk1A:
11.81
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.
3HRD_E_NIOE5660_1
(NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT)		 4bk1 PROBABLE SALICYLATE
MONOOXYGENASE
(Rhodococcus
jostii) 		3 / 3 GLU A 248
GLU A 247
TRP A 272
 None
 1.04A 3hrdA-4bk1A:
undetectable
3hrdE-4bk1A:
undetectable
3hrdF-4bk1A:
undetectable		 3hrdA-4bk1A:
20.04
3hrdE-4bk1A:
20.04
3hrdF-4bk1A:
22.39
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.
3MDV_B_CL6B506_1
(CHOLESTEROL
24-HYDROXYLASE)		 4bk1 PROBABLE SALICYLATE
MONOOXYGENASE
(Rhodococcus
jostii) 		5 / 12 VAL A  63
LEU A 128
THR A 116
ALA A  24
ALA A 126
 None
 0.95A 3mdvB-4bk1A:
undetectable		 3mdvB-4bk1A:
23.24
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.
3P6H_A_IBPA133_1
(FATTY ACID-BINDING
PROTEIN, ADIPOCYTE)		 4bk1 PROBABLE SALICYLATE
MONOOXYGENASE
(Rhodococcus
jostii) 		4 / 7 PHE A  79
ILE A 215
VAL A 204
TYR A 105
 None
P3A  A1399 (-4.4A)
None
None
 0.92A 3p6hA-4bk1A:
undetectable		 3p6hA-4bk1A:
16.75
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.
3QXV_E_MTXE2000_1
(ANTI-METHOTREXATE
CDR1-4 GRAFT VHH)		 4bk1 PROBABLE SALICYLATE
MONOOXYGENASE
(Rhodococcus
jostii) 		5 / 12 ALA A 252
SER A 213
TYR A 253
ALA A 184
TYR A 183
 None
 1.22A 3qxvE-4bk1A:
undetectable		 3qxvE-4bk1A:
16.79
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.
3QXY_B_SAMB6735_0
(N-LYSINE
METHYLTRANSFERASE
SETD6
TRANSCRIPTION FACTOR
P65)		 4bk1 PROBABLE SALICYLATE
MONOOXYGENASE
(Rhodococcus
jostii) 		5 / 11 VAL A  44
ALA A  46
GLY A  47
ALA A 229
TYR A 186
 None
 1.20A 3qxyB-4bk1A:
undetectable
3qxyQ-4bk1A:
undetectable		 3qxyB-4bk1A:
21.17
3qxyQ-4bk1A:
3.36
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.
3RC0_A_SAMA484_0
(N-LYSINE
METHYLTRANSFERASE
SETD6)		 4bk1 PROBABLE SALICYLATE
MONOOXYGENASE
(Rhodococcus
jostii) 		5 / 11 VAL A  44
ALA A  46
GLY A  47
ALA A 229
TYR A 186
 None
 1.22A 3rc0A-4bk1A:
undetectable		 3rc0A-4bk1A:
21.17
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.
3S53_A_017A201_1
(PROTEASE)		 4bk1 PROBABLE SALICYLATE
MONOOXYGENASE
(Rhodococcus
jostii) 		6 / 9 GLY A 209
ALA A  82
ASP A  81
GLY A 206
ILE A 215
ILE A 264
 None
None
None
P3A  A1399 ( 4.6A)
P3A  A1399 (-4.4A)
None
 1.40A 3s53A-4bk1A:
undetectable		 3s53A-4bk1A:
13.49
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.
3ZOS_A_0LIA1004_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 4bk1 PROBABLE SALICYLATE
MONOOXYGENASE
(Rhodococcus
jostii) 		5 / 11 VAL A 118
ALA A 121
LEU A 128
GLY A  13
GLY A  15
 None
None
None
FAD  A1398 (-3.4A)
FAD  A1398 (-3.5A)
 1.17A 3zosA-4bk1A:
undetectable
3zosB-4bk1A:
undetectable		 3zosA-4bk1A:
20.88
3zosB-4bk1A:
20.88
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.
4CPN_B_ZMRB700_1
(NEURAMINIDASE)		 4bk1 PROBABLE SALICYLATE
MONOOXYGENASE
(Rhodococcus
jostii) 		5 / 12 GLU A 279
ARG A 356
ALA A 345
GLU A 282
ARG A 170
 None
 1.28A 4cpnB-4bk1A:
undetectable		 4cpnB-4bk1A:
19.81
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.
4N48_B_SAMB601_0
(CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1)		 4bk1 PROBABLE SALICYLATE
MONOOXYGENASE
(Rhodococcus
jostii) 		5 / 12 GLY A  18
GLY A  14
LEU A  23
ASN A  21
LEU A  58
 None
FAD  A1398 ( 4.6A)
None
None
None
 1.17A 4n48B-4bk1A:
undetectable		 4n48B-4bk1A:
19.96
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.
4UDC_A_DEXA1778_1
(GLUCOCORTICOID
RECEPTOR)		 4bk1 PROBABLE SALICYLATE
MONOOXYGENASE
(Rhodococcus
jostii) 		5 / 12 LEU A 390
GLY A 392
ARG A 344
ILE A  91
PHE A  97
 None
 1.31A 4udcA-4bk1A:
undetectable		 4udcA-4bk1A:
18.69
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.
4YHA_F_MZMF302_1
(ALPHA-CARBONIC
ANHYDRASE)		 4bk1 PROBABLE SALICYLATE
MONOOXYGENASE
(Rhodococcus
jostii) 		5 / 10 ASP A  66
VAL A  63
LEU A  23
ALA A  19
TRP A  61
 None
 1.05A 4yhaF-4bk1A:
undetectable		 4yhaF-4bk1A:
18.69
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.
5B1A_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4bk1 PROBABLE SALICYLATE
MONOOXYGENASE
(Rhodococcus
jostii) 		4 / 7 TRP A 358
ASP A 388
THR A 387
TYR A 386
 P3A  A1399 (-4.0A)
None
P3A  A1399 ( 4.8A)
P3A  A1399 (-3.7A)
 1.45A 5b1aN-4bk1A:
undetectable
5b1aP-4bk1A:
undetectable		 5b1aN-4bk1A:
21.45
5b1aP-4bk1A:
18.57
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.
5B1B_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4bk1 PROBABLE SALICYLATE
MONOOXYGENASE
(Rhodococcus
jostii) 		4 / 7 TRP A 358
ASP A 388
THR A 387
TYR A 386
 P3A  A1399 (-4.0A)
None
P3A  A1399 ( 4.8A)
P3A  A1399 (-3.7A)
 1.46A 5b1bN-4bk1A:
undetectable
5b1bP-4bk1A:
undetectable		 5b1bN-4bk1A:
21.45
5b1bP-4bk1A:
18.57
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_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4bk1 PROBABLE SALICYLATE
MONOOXYGENASE
(Rhodococcus
jostii) 		4 / 7 TRP A 358
ASP A 388
THR A 387
TYR A 386
 P3A  A1399 (-4.0A)
None
P3A  A1399 ( 4.8A)
P3A  A1399 (-3.7A)
 1.44A 5b3sN-4bk1A:
undetectable
5b3sP-4bk1A:
undetectable		 5b3sN-4bk1A:
21.45
5b3sP-4bk1A:
18.57
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.
5DBY_A_ACTA617_0
(SERUM ALBUMIN)		 4bk1 PROBABLE SALICYLATE
MONOOXYGENASE
(Rhodococcus
jostii) 		3 / 3 TRP A 268
ARG A 187
LEU A 219
 None
FAD  A1398 (-3.6A)
None
 0.85A 5dbyA-4bk1A:
undetectable		 5dbyA-4bk1A:
20.56
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.
5IY5_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4bk1 PROBABLE SALICYLATE
MONOOXYGENASE
(Rhodococcus
jostii) 		4 / 7 TRP A 358
ASP A 388
THR A 387
TYR A 386
 P3A  A1399 (-4.0A)
None
P3A  A1399 ( 4.8A)
P3A  A1399 (-3.7A)
 1.49A 5iy5A-4bk1A:
undetectable
5iy5C-4bk1A:
undetectable		 5iy5A-4bk1A:
21.45
5iy5C-4bk1A:
18.57
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.
5LSU_B_SAMB1304_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
NSD2)		 4bk1 PROBABLE SALICYLATE
MONOOXYGENASE
(Rhodococcus
jostii) 		3 / 3 ASN A 259
TYR A 207
CYH A 256
 None
 1.07A 5lsuB-4bk1A:
undetectable		 5lsuB-4bk1A:
18.12
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_P_CHDP305_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4bk1 PROBABLE SALICYLATE
MONOOXYGENASE
(Rhodococcus
jostii) 		4 / 7 TRP A 358
ASP A 388
THR A 387
TYR A 386
 P3A  A1399 (-4.0A)
None
P3A  A1399 ( 4.8A)
P3A  A1399 (-3.7A)
 1.43A 5x1fN-4bk1A:
undetectable
5x1fP-4bk1A:
undetectable		 5x1fN-4bk1A:
21.45
5x1fP-4bk1A:
18.57
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.
5ZCQ_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4bk1 PROBABLE SALICYLATE
MONOOXYGENASE
(Rhodococcus
jostii) 		4 / 7 TRP A 358
ASP A 388
THR A 387
TYR A 386
 P3A  A1399 (-4.0A)
None
P3A  A1399 ( 4.8A)
P3A  A1399 (-3.7A)
 1.47A 5zcqN-4bk1A:
undetectable
5zcqP-4bk1A:
undetectable		 5zcqN-4bk1A:
21.45
5zcqP-4bk1A:
18.57
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.
6FOS_B_PQNB2002_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 4bk1 PROBABLE SALICYLATE
MONOOXYGENASE
(Rhodococcus
jostii) 		4 / 6 TRP A  61
ALA A 318
LEU A  25
ALA A  26
 None
 1.24A 6fosB-4bk1A:
undetectable		 6fosB-4bk1A:
12.31