SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2wkp'

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.
1IWH_A_PEMA501_1
(HEMOGLOBIN ALPHA
CHAIN)		 2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1
(Avena
sativa;
Homo
sapiens) 		4 / 6 ALA A 461
LYS A 465
ASP A 468
ALA A 469
 None
 0.17A 1iwhA-2wkpA:
undetectable		 1iwhA-2wkpA:
18.54
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.
1JNO_A_DVAA6_0
(GRAMICIDIN A)		 2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1
(Avena
sativa;
Homo
sapiens) 		3 / 3 ALA A 602
VAL A 552
TRP A 640
 None
 0.90A 1jnoA-2wkpA:
undetectable		 1jnoA-2wkpA:
4.40
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.
1JNO_B_DVAB6_0
(GRAMICIDIN A)		 2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1
(Avena
sativa;
Homo
sapiens) 		3 / 3 ALA A 602
VAL A 552
TRP A 640
 None
 0.90A 1jnoB-2wkpA:
undetectable		 1jnoB-2wkpA:
4.40
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.
1MAG_A_DVAA6_0
(GRAMICIDIN A)		 2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1
(Avena
sativa;
Homo
sapiens) 		3 / 3 ALA A 602
VAL A 552
TRP A 640
 None
 0.93A 1magA-2wkpA:
undetectable		 1magA-2wkpA:
4.40
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.
1MAG_B_DVAB6_0
(GRAMICIDIN A)		 2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1
(Avena
sativa;
Homo
sapiens) 		3 / 3 ALA A 602
VAL A 552
TRP A 640
 None
 0.93A 1magB-2wkpA:
undetectable		 1magB-2wkpA:
4.40
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.
1NG8_A_DVAA6_0
(GRAMICIDIN A)		 2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1
(Avena
sativa;
Homo
sapiens) 		3 / 3 ALA A 602
VAL A 552
TRP A 640
 None
 0.91A 1ng8A-2wkpA:
undetectable		 1ng8A-2wkpA:
4.12
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.
1NG8_B_DVAB6_0
(GRAMICIDIN A)		 2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1
(Avena
sativa;
Homo
sapiens) 		3 / 3 ALA A 602
VAL A 552
TRP A 640
 None
 0.91A 1ng8B-2wkpA:
undetectable		 1ng8B-2wkpA:
4.12
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.
1PKV_A_RBFA100_1
(RIBOFLAVIN SYNTHASE
ALPHA CHAIN)		 2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1
(Avena
sativa;
Homo
sapiens) 		5 / 11 LEU A 496
THR A 477
ILE A 417
THR A 418
VAL A 416
 FMN  A1725 (-4.8A)
None
None
FMN  A1725 (-3.6A)
None
 1.11A 1pkvA-2wkpA:
undetectable
1pkvB-2wkpA:
undetectable		 1pkvA-2wkpA:
16.20
1pkvB-2wkpA:
16.20
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.
1PKV_B_RBFB101_1
(RIBOFLAVIN SYNTHASE
ALPHA CHAIN)		 2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1
(Avena
sativa;
Homo
sapiens) 		5 / 11 VAL A 416
LEU A 496
THR A 477
ILE A 417
THR A 418
 None
FMN  A1725 (-4.8A)
None
None
FMN  A1725 (-3.6A)
 1.14A 1pkvA-2wkpA:
undetectable
1pkvB-2wkpA:
undetectable		 1pkvA-2wkpA:
16.20
1pkvB-2wkpA:
16.20
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.
1RX3_A_MTXA161_2
(DIHYDROFOLATE
REDUCTASE)		 2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1
(Avena
sativa;
Homo
sapiens) 		3 / 3 LYS A 534
ILE A 510
THR A 477
 None
 0.67A 1rx3A-2wkpA:
undetectable		 1rx3A-2wkpA:
17.18
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.
1VID_A_SAMA301_1
(CATECHOL
O-METHYLTRANSFERASE)		 2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1
(Avena
sativa;
Homo
sapiens) 		4 / 5 GLU A 699
TYR A 682
SER A 701
ASP A 664
 None
None
GTP  A1724 (-3.6A)
None
 1.34A 1vidA-2wkpA:
undetectable		 1vidA-2wkpA:
21.57
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.
2CL5_B_SAMB1217_1
(CATECHOL
O-METHYLTRANSFERASE)		 2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1
(Avena
sativa;
Homo
sapiens) 		4 / 6 GLU A 699
TYR A 682
SER A 701
ASP A 664
 None
None
GTP  A1724 (-3.6A)
None
 1.40A 2cl5B-2wkpA:
undetectable		 2cl5B-2wkpA:
21.57
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.
2HRC_A_CHDA703_0
(FERROCHELATASE)		 2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1
(Avena
sativa;
Homo
sapiens) 		4 / 4 LEU A 613
PRO A 423
LEU A 610
ARG A 609
 None
 1.26A 2hrcA-2wkpA:
3.1		 2hrcA-2wkpA:
22.28
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.
2PNJ_B_CHDB503_0
(FERROCHELATASE,
MITOCHONDRIAL)		 2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1
(Avena
sativa;
Homo
sapiens) 		4 / 4 LEU A 613
PRO A 423
LEU A 610
ARG A 609
 None
 1.28A 2pnjB-2wkpA:
2.4		 2pnjB-2wkpA:
22.28
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.
2ZVJ_A_SAMA301_1
(CATECHOL
O-METHYLTRANSFERASE)		 2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1
(Avena
sativa;
Homo
sapiens) 		4 / 6 GLU A 699
TYR A 682
SER A 701
ASP A 664
 None
None
GTP  A1724 (-3.6A)
None
 1.35A 2zvjA-2wkpA:
undetectable		 2zvjA-2wkpA:
21.49
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.
3HCO_B_CHDB1_0
(FERROCHELATASE,
MITOCHONDRIAL)		 2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1
(Avena
sativa;
Homo
sapiens) 		4 / 4 LEU A 613
PRO A 423
LEU A 610
ARG A 609
 None
 1.22A 3hcoB-2wkpA:
4.0		 3hcoB-2wkpA:
22.28
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.
3MNO_A_DEXA784_1
(GLUCOCORTICOID
RECEPTOR)		 2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1
(Avena
sativa;
Homo
sapiens) 		5 / 12 GLY A 555
VAL A 551
LEU A 563
CYH A 561
ILE A 576
 GTP  A1724 (-3.6A)
None
None
GTP  A1724 (-3.4A)
None
 1.37A 3mnoA-2wkpA:
undetectable		 3mnoA-2wkpA:
22.45
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.
3MNP_A_DEXA784_1
(GLUCOCORTICOID
RECEPTOR)		 2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1
(Avena
sativa;
Homo
sapiens) 		5 / 12 GLY A 555
VAL A 551
LEU A 563
CYH A 561
ILE A 576
 GTP  A1724 (-3.6A)
None
None
GTP  A1724 (-3.4A)
None
 1.36A 3mnpA-2wkpA:
undetectable		 3mnpA-2wkpA:
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.
3N23_A_OBNA1_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		 2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1
(Avena
sativa;
Homo
sapiens) 		5 / 11 ASP A 471
ASN A 472
VAL A 476
PHE A 509
ILE A 466
 None
None
None
None
FMN  A1725 (-4.2A)
 1.14A 3n23A-2wkpA:
undetectable		 3n23A-2wkpA:
16.05
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.
3N23_A_OBNA1_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		 2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1
(Avena
sativa;
Homo
sapiens) 		5 / 11 ASP A 471
VAL A 476
PHE A 509
ILE A 466
ARG A 421
 None
None
None
FMN  A1725 (-4.2A)
None
 1.03A 3n23A-2wkpA:
undetectable		 3n23A-2wkpA:
16.05
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.
3R4X_A_PZAA597_0
(LACTOPEROXIDASE)		 2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1
(Avena
sativa;
Homo
sapiens) 		4 / 5 GLN A 479
HIS A 519
ARG A 521
GLU A 525
 None
 1.49A 3r4xA-2wkpA:
undetectable		 3r4xA-2wkpA:
20.37
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.
4DC3_B_2FAB401_2
(ADENOSINE KINASE)		 2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1
(Avena
sativa;
Homo
sapiens) 		4 / 5 LEU A 546
ILE A 510
ALA A 542
MET A 499
 None
 1.05A 4dc3B-2wkpA:
4.7		 4dc3B-2wkpA:
23.48
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.
4GH8_A_MTXA201_2
(DIHYDROFOLATE
REDUCTASE)		 2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1
(Avena
sativa;
Homo
sapiens) 		3 / 3 LYS A 534
ILE A 510
THR A 477
 None
 0.70A 4gh8A-2wkpA:
undetectable		 4gh8A-2wkpA:
18.55
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.
4KUK_A_RBFA201_1
(BLUE-LIGHT
PHOTORECEPTOR)		 2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1
(Avena
sativa;
Homo
sapiens) 		5 / 12 ASN A 449
CYH A 450
ASN A 492
ILE A 466
GLN A 513
 FMN  A1725 (-3.0A)
FMN  A1725 (-3.4A)
FMN  A1725 (-3.8A)
FMN  A1725 (-4.2A)
FMN  A1725 (-3.8A)
 1.47A 4kukA-2wkpA:
18.0		 4kukA-2wkpA:
22.43
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.
4KUK_A_RBFA201_1
(BLUE-LIGHT
PHOTORECEPTOR)		 2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1
(Avena
sativa;
Homo
sapiens) 		8 / 12 VAL A 416
ASN A 425
ASN A 449
ARG A 451
GLN A 454
ASN A 482
ASN A 492
GLN A 513
 None
FMN  A1725 (-3.8A)
FMN  A1725 (-3.0A)
FMN  A1725 (-3.8A)
FMN  A1725 (-3.1A)
FMN  A1725 (-3.0A)
FMN  A1725 (-3.8A)
FMN  A1725 (-3.8A)
 0.43A 4kukA-2wkpA:
18.0		 4kukA-2wkpA:
22.43
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.
4KUK_A_RBFA201_1
(BLUE-LIGHT
PHOTORECEPTOR)		 2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1
(Avena
sativa;
Homo
sapiens) 		7 / 12 VAL A 416
ASN A 449
CYH A 450
ARG A 451
GLN A 454
ASN A 492
GLN A 513
 None
FMN  A1725 (-3.0A)
FMN  A1725 (-3.4A)
FMN  A1725 (-3.8A)
FMN  A1725 (-3.1A)
FMN  A1725 (-3.8A)
FMN  A1725 (-3.8A)
 0.83A 4kukA-2wkpA:
18.0		 4kukA-2wkpA:
22.43
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.
4KUK_A_RBFA201_1
(BLUE-LIGHT
PHOTORECEPTOR)		 2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1
(Avena
sativa;
Homo
sapiens) 		5 / 12 VAL A 416
ASN A 449
CYH A 450
ARG A 451
LEU A 496
 None
FMN  A1725 (-3.0A)
FMN  A1725 (-3.4A)
FMN  A1725 (-3.8A)
FMN  A1725 (-4.8A)
 1.16A 4kukA-2wkpA:
18.0		 4kukA-2wkpA:
22.43
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.
4KUK_A_RBFA201_2
(BLUE-LIGHT
PHOTORECEPTOR)		 2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1
(Avena
sativa;
Homo
sapiens) 		5 / 9 LEU A 453
VAL A 463
ILE A 466
PHE A 509
GLY A 511
 FMN  A1725 (-4.2A)
FMN  A1725 (-4.6A)
FMN  A1725 (-4.2A)
None
FMN  A1725 (-3.7A)
 0.38A 4kukA-2wkpA:
18.0		 4kukA-2wkpA:
22.43
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.
4KUO_A_RBFA500_1
(BLUE-LIGHT
PHOTORECEPTOR)		 2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1
(Avena
sativa;
Homo
sapiens) 		8 / 12 VAL A 416
ASN A 425
ASN A 449
ARG A 451
GLN A 454
ASN A 482
ASN A 492
GLN A 513
 None
FMN  A1725 (-3.8A)
FMN  A1725 (-3.0A)
FMN  A1725 (-3.8A)
FMN  A1725 (-3.1A)
FMN  A1725 (-3.0A)
FMN  A1725 (-3.8A)
FMN  A1725 (-3.8A)
 0.59A 4kuoA-2wkpA:
17.9		 4kuoA-2wkpA:
22.43
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.
4KUO_A_RBFA500_1
(BLUE-LIGHT
PHOTORECEPTOR)		 2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1
(Avena
sativa;
Homo
sapiens) 		7 / 12 VAL A 416
ASN A 449
CYH A 450
ARG A 451
GLN A 454
ASN A 492
GLN A 513
 None
FMN  A1725 (-3.0A)
FMN  A1725 (-3.4A)
FMN  A1725 (-3.8A)
FMN  A1725 (-3.1A)
FMN  A1725 (-3.8A)
FMN  A1725 (-3.8A)
 0.92A 4kuoA-2wkpA:
17.9		 4kuoA-2wkpA:
22.43
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.
4MGH_A_ACTA1320_0
(PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE)		 2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1
(Avena
sativa;
Homo
sapiens) 		4 / 5 VAL A 594
LEU A 720
ILE A 547
LEU A 546
 None
 0.87A 4mghA-2wkpA:
3.5		 4mghA-2wkpA:
13.77
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.
4MM4_A_8PRA603_1
(TRANSPORTER)		 2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1
(Avena
sativa;
Homo
sapiens) 		5 / 12 ASP A 419
VAL A 550
PHE A 580
GLY A 597
THR A 601
 None
 1.19A 4mm4A-2wkpA:
undetectable		 4mm4A-2wkpA:
21.36
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.
4MM4_B_8PRB603_1
(TRANSPORTER)		 2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1
(Avena
sativa;
Homo
sapiens) 		5 / 12 ASP A 419
VAL A 550
PHE A 580
GLY A 597
THR A 601
 None
 1.23A 4mm4B-2wkpA:
undetectable		 4mm4B-2wkpA:
21.36
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.
4QYQ_D_3CJD607_1
(LACTOPEROXIDASE)		 2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1
(Avena
sativa;
Homo
sapiens) 		4 / 4 GLN A 479
HIS A 519
ARG A 521
GLU A 525
 None
 1.49A 4qyqD-2wkpA:
0.0		 4qyqD-2wkpA:
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.
4R38_A_RBFA201_1
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1
(Avena
sativa;
Homo
sapiens) 		7 / 12 ARG A 451
GLN A 454
ILE A 470
ASN A 482
ASN A 492
GLY A 511
GLN A 513
 FMN  A1725 (-3.8A)
FMN  A1725 (-3.1A)
FMN  A1725 (-4.7A)
FMN  A1725 (-3.0A)
FMN  A1725 (-3.8A)
FMN  A1725 (-3.7A)
FMN  A1725 (-3.8A)
 0.60A 4r38A-2wkpA:
17.7		 4r38A-2wkpA:
21.32
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.
4R38_A_RBFA201_1
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1
(Avena
sativa;
Homo
sapiens) 		5 / 12 CYH A 450
ARG A 451
GLN A 454
GLY A 511
GLN A 513
 FMN  A1725 (-3.4A)
FMN  A1725 (-3.8A)
FMN  A1725 (-3.1A)
FMN  A1725 (-3.7A)
FMN  A1725 (-3.8A)
 1.02A 4r38A-2wkpA:
17.7		 4r38A-2wkpA:
21.32
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.
4R38_A_RBFA201_1
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1
(Avena
sativa;
Homo
sapiens) 		5 / 12 GLN A 513
ALA A 430
ASN A 492
ASN A 482
GLN A 454
 FMN  A1725 (-3.8A)
None
FMN  A1725 (-3.8A)
FMN  A1725 (-3.0A)
FMN  A1725 (-3.1A)
 1.22A 4r38A-2wkpA:
17.7		 4r38A-2wkpA:
21.32
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.
4R38_A_RBFA201_2
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1
(Avena
sativa;
Homo
sapiens) 		4 / 8 ASN A 449
LEU A 453
VAL A 463
PHE A 509
 FMN  A1725 (-3.0A)
FMN  A1725 (-4.2A)
FMN  A1725 (-4.6A)
None
 0.69A 4r38A-2wkpA:
17.7		 4r38A-2wkpA:
21.32
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.
4R38_B_RBFB201_1
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1
(Avena
sativa;
Homo
sapiens) 		8 / 12 ASN A 449
ARG A 451
GLN A 454
ILE A 470
ASN A 482
ASN A 492
GLY A 511
GLN A 513
 FMN  A1725 (-3.0A)
FMN  A1725 (-3.8A)
FMN  A1725 (-3.1A)
FMN  A1725 (-4.7A)
FMN  A1725 (-3.0A)
FMN  A1725 (-3.8A)
FMN  A1725 (-3.7A)
FMN  A1725 (-3.8A)
 0.64A 4r38B-2wkpA:
17.5		 4r38B-2wkpA:
21.32
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.
4R38_B_RBFB201_1
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1
(Avena
sativa;
Homo
sapiens) 		6 / 12 ASN A 449
CYH A 450
ARG A 451
GLN A 454
GLY A 511
GLN A 513
 FMN  A1725 (-3.0A)
FMN  A1725 (-3.4A)
FMN  A1725 (-3.8A)
FMN  A1725 (-3.1A)
FMN  A1725 (-3.7A)
FMN  A1725 (-3.8A)
 1.00A 4r38B-2wkpA:
17.5		 4r38B-2wkpA:
21.32
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.
4R38_C_RBFC201_1
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1
(Avena
sativa;
Homo
sapiens) 		7 / 12 ARG A 451
GLN A 454
ILE A 470
ASN A 482
ASN A 492
GLY A 511
GLN A 513
 FMN  A1725 (-3.8A)
FMN  A1725 (-3.1A)
FMN  A1725 (-4.7A)
FMN  A1725 (-3.0A)
FMN  A1725 (-3.8A)
FMN  A1725 (-3.7A)
FMN  A1725 (-3.8A)
 0.59A 4r38C-2wkpA:
17.6		 4r38C-2wkpA:
21.32
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.
4R38_C_RBFC201_1
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1
(Avena
sativa;
Homo
sapiens) 		6 / 12 CYH A 450
ARG A 451
GLN A 454
ILE A 470
GLY A 511
GLN A 513
 FMN  A1725 (-3.4A)
FMN  A1725 (-3.8A)
FMN  A1725 (-3.1A)
FMN  A1725 (-4.7A)
FMN  A1725 (-3.7A)
FMN  A1725 (-3.8A)
 0.96A 4r38C-2wkpA:
17.6		 4r38C-2wkpA:
21.32
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.
4R38_D_RBFD201_1
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1
(Avena
sativa;
Homo
sapiens) 		7 / 12 ARG A 451
GLN A 454
ILE A 470
ASN A 482
ASN A 492
GLY A 511
GLN A 513
 FMN  A1725 (-3.8A)
FMN  A1725 (-3.1A)
FMN  A1725 (-4.7A)
FMN  A1725 (-3.0A)
FMN  A1725 (-3.8A)
FMN  A1725 (-3.7A)
FMN  A1725 (-3.8A)
 0.60A 4r38D-2wkpA:
17.8		 4r38D-2wkpA:
21.32
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.
4R38_D_RBFD201_1
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1
(Avena
sativa;
Homo
sapiens) 		5 / 12 CYH A 450
ARG A 451
GLN A 454
GLY A 511
GLN A 513
 FMN  A1725 (-3.4A)
FMN  A1725 (-3.8A)
FMN  A1725 (-3.1A)
FMN  A1725 (-3.7A)
FMN  A1725 (-3.8A)
 1.05A 4r38D-2wkpA:
17.8		 4r38D-2wkpA:
21.32
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.
4R3A_A_RBFA402_1
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1
(Avena
sativa;
Homo
sapiens) 		6 / 12 ARG A 451
GLN A 454
ILE A 470
ASN A 482
ASN A 492
GLN A 513
 FMN  A1725 (-3.8A)
FMN  A1725 (-3.1A)
FMN  A1725 (-4.7A)
FMN  A1725 (-3.0A)
FMN  A1725 (-3.8A)
FMN  A1725 (-3.8A)
 0.54A 4r3aA-2wkpA:
18.3		 4r3aA-2wkpA:
26.65
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.
4R3A_A_RBFA402_1
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1
(Avena
sativa;
Homo
sapiens) 		6 / 12 CYH A 450
ARG A 451
GLN A 454
ASN A 482
ASN A 492
GLN A 513
 FMN  A1725 (-3.4A)
FMN  A1725 (-3.8A)
FMN  A1725 (-3.1A)
FMN  A1725 (-3.0A)
FMN  A1725 (-3.8A)
FMN  A1725 (-3.8A)
 0.89A 4r3aA-2wkpA:
18.3		 4r3aA-2wkpA:
26.65
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.
4R3A_B_RBFB402_1
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1
(Avena
sativa;
Homo
sapiens) 		5 / 10 ASN A 449
LEU A 453
GLN A 454
VAL A 463
PHE A 509
 FMN  A1725 (-3.0A)
FMN  A1725 (-4.2A)
FMN  A1725 (-3.1A)
FMN  A1725 (-4.6A)
None
 0.65A 4r3aB-2wkpA:
17.7		 4r3aB-2wkpA:
26.65
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.
4R3A_B_RBFB402_2
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1
(Avena
sativa;
Homo
sapiens) 		6 / 12 ARG A 451
ILE A 470
ASN A 482
ASN A 492
GLY A 511
GLN A 513
 FMN  A1725 (-3.8A)
FMN  A1725 (-4.7A)
FMN  A1725 (-3.0A)
FMN  A1725 (-3.8A)
FMN  A1725 (-3.7A)
FMN  A1725 (-3.8A)
 0.41A 4r3aB-2wkpA:
17.7		 4r3aB-2wkpA:
26.65
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.
4R3A_B_RBFB402_2
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1
(Avena
sativa;
Homo
sapiens) 		6 / 12 CYH A 450
ARG A 451
ILE A 470
ASN A 492
GLY A 511
GLN A 513
 FMN  A1725 (-3.4A)
FMN  A1725 (-3.8A)
FMN  A1725 (-4.7A)
FMN  A1725 (-3.8A)
FMN  A1725 (-3.7A)
FMN  A1725 (-3.8A)
 0.86A 4r3aB-2wkpA:
17.7		 4r3aB-2wkpA:
26.65
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.
5FHR_A_SAMA303_1
(CATECHOL
O-METHYLTRANSFERASE)		 2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1
(Avena
sativa;
Homo
sapiens) 		4 / 5 GLU A 699
TYR A 682
SER A 701
ASP A 664
 None
None
GTP  A1724 (-3.6A)
None
 1.43A 5fhrA-2wkpA:
undetectable		 5fhrA-2wkpA:
20.06
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.
5HPW_D_3CJD609_1
(LACTOPEROXIDASE)		 2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1
(Avena
sativa;
Homo
sapiens) 		4 / 4 GLN A 479
HIS A 519
ARG A 521
GLU A 525
 None
 1.49A 5hpwD-2wkpA:
0.0		 5hpwD-2wkpA:
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.
6CZM_E_HISE402_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE CATALYTIC
SUBUNIT)		 2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1
(Avena
sativa;
Homo
sapiens) 		5 / 9 VAL A 587
LEU A 622
GLY A 597
LEU A 598
CYH A 549
 None
 1.34A 6czmD-2wkpA:
undetectable
6czmE-2wkpA:
2.0		 6czmD-2wkpA:
22.28
6czmE-2wkpA:
22.28