SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3sdq'

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.
1CD2_A_FOLA307_1
(DIHYDROFOLATE
REDUCTASE)		 3sdq ALPHA-BISABOLENE
SYNTHASE
(Abies
grandis) 		3 / 3 GLU A 509
ILE A 505
ARG A 315
 None
 0.65A 1cd2A-3sdqA:
undetectable		 1cd2A-3sdqA:
13.24
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.
1CQP_B_803B311_1
(ANTIGEN CD11A (P180))		 3sdq ALPHA-BISABOLENE
SYNTHASE
(Abies
grandis) 		4 / 7 VAL A 166
LEU A 207
LEU A 127
LEU A 128
 None
 0.72A 1cqpA-3sdqA:
undetectable
1cqpB-3sdqA:
undetectable		 1cqpA-3sdqA:
12.72
1cqpB-3sdqA:
12.72
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.
1I18_A_RBFA98_1
(RIBOFLAVIN SYNTHASE
ALPHA CHAIN)		 3sdq ALPHA-BISABOLENE
SYNTHASE
(Abies
grandis) 		5 / 10 ASP A 566
LEU A 565
ILE A 606
PHE A 555
THR A 556
 None
 1.41A 1i18A-3sdqA:
undetectable
1i18B-3sdqA:
undetectable		 1i18A-3sdqA:
8.19
1i18B-3sdqA:
8.19
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.
1I18_B_RBFB99_1
(RIBOFLAVIN SYNTHASE
ALPHA CHAIN)		 3sdq ALPHA-BISABOLENE
SYNTHASE
(Abies
grandis) 		5 / 10 PHE A 555
THR A 556
ASP A 566
LEU A 565
ILE A 606
 None
 1.38A 1i18A-3sdqA:
undetectable
1i18B-3sdqA:
undetectable		 1i18A-3sdqA:
8.19
1i18B-3sdqA:
8.19
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.
1JB0_B_PQNB2002_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 3sdq ALPHA-BISABOLENE
SYNTHASE
(Abies
grandis) 		5 / 11 TRP A 453
PHE A 405
ALA A 400
LEU A 403
ALA A 404
 None
 1.24A 1jb0B-3sdqA:
undetectable		 1jb0B-3sdqA:
22.55
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.
1LBC_A_CYZA330_1
(GLUTAMINE RECEPTOR 2)		 3sdq ALPHA-BISABOLENE
SYNTHASE
(Abies
grandis) 		5 / 12 LYS A 478
LEU A 133
SER A 129
LEU A 127
ILE A 182
 None
 1.41A 1lbcA-3sdqA:
undetectable
1lbcC-3sdqA:
undetectable		 1lbcA-3sdqA:
15.30
1lbcC-3sdqA:
15.30
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.
1LBC_C_CYZC331_1
(GLUTAMINE RECEPTOR 2)		 3sdq ALPHA-BISABOLENE
SYNTHASE
(Abies
grandis) 		5 / 12 ILE A 182
LYS A 478
LEU A 133
SER A 129
LEU A 127
 None
 1.44A 1lbcA-3sdqA:
undetectable
1lbcC-3sdqA:
undetectable		 1lbcA-3sdqA:
15.30
1lbcC-3sdqA:
15.30
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.
1MEI_A_MOAA600_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		 3sdq ALPHA-BISABOLENE
SYNTHASE
(Abies
grandis) 		4 / 8 SER A 729
SER A 730
GLU A 644
GLY A 663
 None
 0.95A 1meiA-3sdqA:
undetectable		 1meiA-3sdqA:
20.67
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.
1ONI_D_BEZD507_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 3sdq ALPHA-BISABOLENE
SYNTHASE
(Abies
grandis) 		4 / 7 ARG A  53
ALA A  56
ILE A 313
ILE A  63
 None
 0.88A 1oniD-3sdqA:
undetectable
1oniF-3sdqA:
undetectable		 1oniD-3sdqA:
11.04
1oniF-3sdqA:
11.04
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.
1SBR_A_VIBA501_1
(YKOF)		 3sdq ALPHA-BISABOLENE
SYNTHASE
(Abies
grandis) 		4 / 8 LEU A 132
ILE A 156
ILE A 159
LYS A 160
 None
 0.57A 1sbrA-3sdqA:
undetectable		 1sbrA-3sdqA:
13.62
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.
1UW6_A_NCTA1208_1
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 3sdq ALPHA-BISABOLENE
SYNTHASE
(Abies
grandis) 		4 / 8 TYR A 637
THR A 563
CYH A 603
MET A 568
 None
 1.27A 1uw6A-3sdqA:
undetectable
1uw6B-3sdqA:
undetectable		 1uw6A-3sdqA:
12.91
1uw6B-3sdqA:
12.91
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.
1UW6_D_NCTD1208_1
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 3sdq ALPHA-BISABOLENE
SYNTHASE
(Abies
grandis) 		4 / 8 TYR A 637
THR A 563
CYH A 603
MET A 568
 None
 1.28A 1uw6D-3sdqA:
undetectable
1uw6E-3sdqA:
undetectable		 1uw6D-3sdqA:
12.91
1uw6E-3sdqA:
12.91
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.
1UW6_G_NCTG1206_1
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 3sdq ALPHA-BISABOLENE
SYNTHASE
(Abies
grandis) 		4 / 8 TYR A 637
THR A 563
CYH A 603
MET A 568
 None
 1.23A 1uw6G-3sdqA:
undetectable
1uw6H-3sdqA:
undetectable		 1uw6G-3sdqA:
12.91
1uw6H-3sdqA:
12.91
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.
1UW6_P_NCTP1206_1
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 3sdq ALPHA-BISABOLENE
SYNTHASE
(Abies
grandis) 		4 / 8 TYR A 637
THR A 563
CYH A 603
MET A 568
 None
 1.27A 1uw6P-3sdqA:
undetectable
1uw6Q-3sdqA:
undetectable		 1uw6P-3sdqA:
12.91
1uw6Q-3sdqA:
12.91
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.
1UW6_T_NCTT1208_1
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 3sdq ALPHA-BISABOLENE
SYNTHASE
(Abies
grandis) 		4 / 8 MET A 568
TYR A 637
THR A 563
CYH A 603
 None
 1.28A 1uw6P-3sdqA:
undetectable
1uw6T-3sdqA:
undetectable		 1uw6P-3sdqA:
12.91
1uw6T-3sdqA:
12.91
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.
1XDK_F_9CRF1600_1
(RETINOIC ACID
RECEPTOR, BETA)		 3sdq ALPHA-BISABOLENE
SYNTHASE
(Abies
grandis) 		5 / 12 LEU A 163
ILE A 159
ILE A 156
LEU A 187
LEU A 201
 None
 0.96A 1xdkF-3sdqA:
undetectable		 1xdkF-3sdqA:
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.
2A8T_A_ADNA252_1
(U8 SNORNA-BINDING
PROTEIN X29)		 3sdq ALPHA-BISABOLENE
SYNTHASE
(Abies
grandis) 		5 / 9 ARG A 710
THR A 786
ILE A 667
ASN A 705
SER A 706
 None
 1.49A 2a8tA-3sdqA:
0.0		 2a8tA-3sdqA:
13.10
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.
2AOU_A_CQAA403_0
(HISTAMINE
N-METHYLTRANSFERASE)		 3sdq ALPHA-BISABOLENE
SYNTHASE
(Abies
grandis) 		4 / 8 ASP A 636
GLY A 663
ASP A 570
TYR A 641
 None
 1.01A 2aouA-3sdqA:
undetectable		 2aouA-3sdqA:
15.81
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.
2AOW_A_THAA400_1
(HISTAMINE
N-METHYLTRANSFERASE)		 3sdq ALPHA-BISABOLENE
SYNTHASE
(Abies
grandis) 		4 / 7 PHE A 555
GLU A 782
GLN A 669
TYR A 637
 None
 1.00A 2aowA-3sdqA:
undetectable		 2aowA-3sdqA:
15.81
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.
2AOX_A_THAA400_1
(HISTAMINE
N-METHYLTRANSFERASE)		 3sdq ALPHA-BISABOLENE
SYNTHASE
(Abies
grandis) 		4 / 8 PHE A 555
GLU A 782
GLN A 669
TYR A 637
 None
 1.11A 2aoxA-3sdqA:
undetectable		 2aoxA-3sdqA:
15.81
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.
2AOX_B_THAB401_1
(HISTAMINE
N-METHYLTRANSFERASE)		 3sdq ALPHA-BISABOLENE
SYNTHASE
(Abies
grandis) 		4 / 7 PHE A 555
GLU A 782
GLN A 669
TYR A 637
 None
 1.11A 2aoxB-3sdqA:
undetectable		 2aoxB-3sdqA:
15.81
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.
2HRC_A_CHDA702_0
(FERROCHELATASE)		 3sdq ALPHA-BISABOLENE
SYNTHASE
(Abies
grandis) 		4 / 7 ARG A 362
LEU A 766
VAL A 365
TRP A 332
 None
 1.30A 2hrcA-3sdqA:
undetectable		 2hrcA-3sdqA:
18.19
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.
2O5Y_H_STRH249_1
(CHIMERIC ANTIBODY
FAB 1E9-DB3)		 3sdq ALPHA-BISABOLENE
SYNTHASE
(Abies
grandis) 		4 / 7 ASN A 333
TRP A 332
GLY A 336
THR A 351
 None
 1.28A 2o5yH-3sdqA:
undetectable
2o5yL-3sdqA:
undetectable		 2o5yH-3sdqA:
13.19
2o5yL-3sdqA:
14.80
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.
2OUZ_A_C3DA999_0
(ESTROGEN RECEPTOR)		 3sdq ALPHA-BISABOLENE
SYNTHASE
(Abies
grandis) 		5 / 12 THR A 351
LEU A 358
LEU A 302
LEU A 303
GLY A 340
 None
 0.95A 2ouzA-3sdqA:
undetectable		 2ouzA-3sdqA:
16.34
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.
3CLD_B_GW6B2_2
(GLUCOCORTICOID
RECEPTOR)		 3sdq ALPHA-BISABOLENE
SYNTHASE
(Abies
grandis) 		4 / 8 LEU A 779
ALA A 689
LEU A 690
GLN A 683
 None
 0.87A 3cldB-3sdqA:
undetectable		 3cldB-3sdqA:
15.47
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.
3FGR_B_ACTB21_0
(PUTATIVE
PHOSPHOLIPASE B-LIKE
2 40 KDA FORM)		 3sdq ALPHA-BISABOLENE
SYNTHASE
(Abies
grandis) 		4 / 4 ARG A 362
ASP A 770
ASP A 769
PRO A 768
 None
 1.35A 3fgrB-3sdqA:
undetectable		 3fgrB-3sdqA:
18.67
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.
3H6T_A_CYZA265_1
(GLUTAMATE RECEPTOR 2)		 3sdq ALPHA-BISABOLENE
SYNTHASE
(Abies
grandis) 		5 / 11 LYS A 478
LEU A 133
SER A 129
LEU A 127
ILE A 182
 None
 1.40A 3h6tA-3sdqA:
undetectable
3h6tC-3sdqA:
undetectable		 3h6tA-3sdqA:
15.30
3h6tC-3sdqA:
15.30
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.
3H6T_C_CYZC265_1
(GLUTAMATE RECEPTOR 2)		 3sdq ALPHA-BISABOLENE
SYNTHASE
(Abies
grandis) 		5 / 11 ILE A 182
LYS A 478
LEU A 133
SER A 129
LEU A 127
 None
 1.42A 3h6tA-3sdqA:
undetectable
3h6tC-3sdqA:
undetectable		 3h6tA-3sdqA:
15.30
3h6tC-3sdqA:
15.30
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.
3HAV_C_SRYC403_1
(AMINOGLYCOSIDE
PHOSPHOTRANSFERASE)		 3sdq ALPHA-BISABOLENE
SYNTHASE
(Abies
grandis) 		5 / 12 ASN A 343
ASP A 347
ASP A 390
ASP A 178
TYR A 481
 None
 1.26A 3havC-3sdqA:
undetectable		 3havC-3sdqA:
17.84
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.
3K39_D_BCZD1001_0
(NEURAMINIDASE)		 3sdq ALPHA-BISABOLENE
SYNTHASE
(Abies
grandis) 		5 / 12 LEU A 754
ASP A 713
ARG A 710
ALA A 728
GLU A 732
 None
 1.43A 3k39D-3sdqA:
undetectable		 3k39D-3sdqA:
18.93
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.
3K39_I_BCZI1001_0
(NEURAMINIDASE)		 3sdq ALPHA-BISABOLENE
SYNTHASE
(Abies
grandis) 		5 / 12 LEU A 754
ASP A 713
ARG A 710
ALA A 728
GLU A 732
 None
 1.43A 3k39I-3sdqA:
undetectable		 3k39I-3sdqA:
18.93
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.
3K39_J_BCZJ1001_0
(NEURAMINIDASE)		 3sdq ALPHA-BISABOLENE
SYNTHASE
(Abies
grandis) 		5 / 12 LEU A 754
ASP A 713
ARG A 710
ALA A 728
GLU A 732
 None
 1.44A 3k39J-3sdqA:
undetectable		 3k39J-3sdqA:
18.93
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.
3K39_K_BCZK1001_0
(NEURAMINIDASE)		 3sdq ALPHA-BISABOLENE
SYNTHASE
(Abies
grandis) 		5 / 12 LEU A 754
ASP A 713
ARG A 710
ALA A 728
GLU A 732
 None
 1.45A 3k39K-3sdqA:
undetectable		 3k39K-3sdqA:
18.93
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.
3K39_L_BCZL1001_0
(NEURAMINIDASE)		 3sdq ALPHA-BISABOLENE
SYNTHASE
(Abies
grandis) 		5 / 12 LEU A 754
ASP A 713
ARG A 710
ALA A 728
GLU A 732
 None
 1.43A 3k39L-3sdqA:
undetectable		 3k39L-3sdqA:
18.93
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.
3K8M_A_ACRA720_1
(ALPHA-AMYLASE, SUSG)		 3sdq ALPHA-BISABOLENE
SYNTHASE
(Abies
grandis) 		4 / 7 TYR A 232
TRP A 339
LEU A 257
ASN A 343
 None
 1.38A 3k8mA-3sdqA:
undetectable		 3k8mA-3sdqA:
23.16
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.
3K8M_B_ACRB820_1
(ALPHA-AMYLASE, SUSG)		 3sdq ALPHA-BISABOLENE
SYNTHASE
(Abies
grandis) 		4 / 7 TYR A 232
TRP A 339
LEU A 257
ASN A 343
 None
 1.40A 3k8mB-3sdqA:
undetectable		 3k8mB-3sdqA:
23.16
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.
3LSF_E_PZIE802_0
(GLUTAMATE RECEPTOR 2)		 3sdq ALPHA-BISABOLENE
SYNTHASE
(Abies
grandis) 		3 / 3 ASP A 472
ASN A 487
SER A 124
 None
 0.98A 3lsfB-3sdqA:
undetectable
3lsfE-3sdqA:
undetectable		 3lsfB-3sdqA:
15.02
3lsfE-3sdqA:
15.02
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.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		 3sdq ALPHA-BISABOLENE
SYNTHASE
(Abies
grandis) 		5 / 11 THR A 350
ARG A 341
ASN A 343
LEU A 302
LEU A 303
 None
 1.41A 3ndvA-3sdqA:
undetectable
3ndvB-3sdqA:
undetectable		 3ndvA-3sdqA:
18.50
3ndvB-3sdqA:
18.50
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.
3NDV_C_AICC375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		 3sdq ALPHA-BISABOLENE
SYNTHASE
(Abies
grandis) 		5 / 11 THR A 350
ARG A 341
ASN A 343
LEU A 302
LEU A 303
 None
 1.40A 3ndvC-3sdqA:
undetectable
3ndvD-3sdqA:
undetectable		 3ndvC-3sdqA:
18.50
3ndvD-3sdqA:
18.50
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.
3PCQ_B_PQNB842_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 3sdq ALPHA-BISABOLENE
SYNTHASE
(Abies
grandis) 		5 / 11 TRP A 453
PHE A 405
ALA A 400
LEU A 403
ALA A 404
 None
 1.24A 3pcqB-3sdqA:
undetectable		 3pcqB-3sdqA:
22.55
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.
3SUE_D_SUED1201_2
(NS3 PROTEASE, NS4A
PROTEIN)		 3sdq ALPHA-BISABOLENE
SYNTHASE
(Abies
grandis) 		3 / 3 TYR A 642
LEU A 602
LYS A 601
 None
 0.78A 3sueD-3sdqA:
undetectable		 3sueD-3sdqA:
13.76
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.
3T3S_B_9PLB1_1
(CYTOCHROME P450 2A13)		 3sdq ALPHA-BISABOLENE
SYNTHASE
(Abies
grandis) 		4 / 6 PHE A 373
PHE A 380
PHE A 370
ALA A 368
 None
 1.11A 3t3sB-3sdqA:
undetectable		 3t3sB-3sdqA:
19.35
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.
3U6T_A_KANA4699_1
(RIBOSOME
INACTIVATING PROTEIN)		 3sdq ALPHA-BISABOLENE
SYNTHASE
(Abies
grandis) 		5 / 10 ILE A 181
SER A 129
TYR A  84
ILE A 182
GLU A 235
 None
 1.45A 3u6tA-3sdqA:
undetectable		 3u6tA-3sdqA:
14.62
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.
3VW1_B_CVIB301_0
(PUTATIVE REGULATORY
PROTEIN)		 3sdq ALPHA-BISABOLENE
SYNTHASE
(Abies
grandis) 		5 / 12 LEU A 140
ILE A 159
LEU A 197
PHE A 183
LEU A 207
 None
 1.45A 3vw1B-3sdqA:
2.0		 3vw1B-3sdqA:
14.04
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.
3W9T_A_W9TA1002_1
(HEMOLYTIC LECTIN
CEL-III)		 3sdq ALPHA-BISABOLENE
SYNTHASE
(Abies
grandis) 		3 / 3 ASP A 412
GLU A 408
GLY A 407
 None
 0.67A 3w9tA-3sdqA:
undetectable		 3w9tA-3sdqA:
20.69
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.
4KLR_A_CHDA504_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3sdq ALPHA-BISABOLENE
SYNTHASE
(Abies
grandis) 		4 / 7 LEU A 234
ARG A 214
PRO A 344
SER A 251
 None
 1.26A 4klrA-3sdqA:
undetectable		 4klrA-3sdqA:
18.27
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_F_FOLF301_1
(FOLATE RECEPTOR
ALPHA)		 3sdq ALPHA-BISABOLENE
SYNTHASE
(Abies
grandis) 		3 / 3 ASP A 130
TRP A 109
SER A 119
 None
 0.94A 4lrhF-3sdqA:
undetectable		 4lrhF-3sdqA:
12.85
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.
4MJ8_C_SPMC201_1
(SPERMIDINE
N1-ACETYLTRANSFERASE)		 3sdq ALPHA-BISABOLENE
SYNTHASE
(Abies
grandis) 		4 / 7 ASN A 488
MET A  66
GLU A  62
GLU A 493
 None
 1.20A 4mj8C-3sdqA:
undetectable		 4mj8C-3sdqA:
12.62
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.
4OBW_C_SAMC601_0
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)		 3sdq ALPHA-BISABOLENE
SYNTHASE
(Abies
grandis) 		5 / 12 SER A  82
ASP A  85
ASN A 113
GLY A 118
SER A 137
 None
 1.27A 4obwC-3sdqA:
undetectable		 4obwC-3sdqA:
14.66
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.
4PB1_A_RBVA501_1
(NUPC FAMILY PROTEIN)		 3sdq ALPHA-BISABOLENE
SYNTHASE
(Abies
grandis) 		5 / 12 GLY A 385
GLN A 386
GLU A 430
ASN A 436
ILE A 476
 None
None
None
None
GOL  A 820 (-4.5A)
 1.36A 4pb1A-3sdqA:
undetectable		 4pb1A-3sdqA:
19.54
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.
4PD5_A_GEOA501_1
(NUPC FAMILY PROTEIN)		 3sdq ALPHA-BISABOLENE
SYNTHASE
(Abies
grandis) 		5 / 12 GLY A 385
GLN A 386
GLU A 430
ASN A 436
ILE A 476
 None
None
None
None
GOL  A 820 (-4.5A)
 1.24A 4pd5A-3sdqA:
undetectable		 4pd5A-3sdqA:
19.54
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.
4Q1X_A_017A101_2
(ASPARTYL PROTEASE)		 3sdq ALPHA-BISABOLENE
SYNTHASE
(Abies
grandis) 		6 / 12 ARG A 475
LEU A 303
ASP A 306
ILE A 308
ILE A 313
VAL A 486
 None
 1.44A 4q1xB-3sdqA:
undetectable		 4q1xB-3sdqA:
8.16
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.
4R87_I_SPMI202_1
(SPERMIDINE
N1-ACETYLTRANSFERASE)		 3sdq ALPHA-BISABOLENE
SYNTHASE
(Abies
grandis) 		4 / 7 ASN A 488
MET A  66
GLU A  62
GLU A 493
 None
 1.03A 4r87I-3sdqA:
undetectable		 4r87I-3sdqA:
12.62
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.
4WNW_A_RTZA602_1
(CYTOCHROME P450 2D6)		 3sdq ALPHA-BISABOLENE
SYNTHASE
(Abies
grandis) 		5 / 12 LEU A 674
GLY A 640
LEU A 638
VAL A 585
VAL A 558
 None
 1.08A 4wnwA-3sdqA:
undetectable		 4wnwA-3sdqA:
20.17
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.
4Y4D_A_CFFA411_1
(ENDOTHIAPEPSIN)		 3sdq ALPHA-BISABOLENE
SYNTHASE
(Abies
grandis) 		4 / 6 LEU A 690
ASP A 694
LEU A 779
ILE A 679
 None
 1.19A 4y4dA-3sdqA:
undetectable		 4y4dA-3sdqA:
16.65
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.
5KR0_A_478A101_1
(PROTEASE E35D-APV)		 3sdq ALPHA-BISABOLENE
SYNTHASE
(Abies
grandis) 		5 / 9 ASP A 570
GLY A 663
ILE A 660
PRO A 654
VAL A 653
 None
 1.18A 5kr0A-3sdqA:
undetectable		 5kr0A-3sdqA:
7.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OY0_2_PQN2843_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 3sdq ALPHA-BISABOLENE
SYNTHASE
(Abies
grandis) 		5 / 12 TRP A 453
PHE A 405
ALA A 400
LEU A 403
ALA A 404
 None
 1.28A 5oy02-3sdqA:
2.8		 5oy02-3sdqA:
8.41
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.
6CNJ_D_NCTD402_1
(NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
BETA-2)		 3sdq ALPHA-BISABOLENE
SYNTHASE
(Abies
grandis) 		4 / 8 TYR A 637
THR A 582
CYH A 603
TRP A 634
 None
 1.38A 6cnjD-3sdqA:
2.7
6cnjE-3sdqA:
3.7		 6cnjD-3sdqA:
6.80
6cnjE-3sdqA:
7.31
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.
6GBN_B_ADNB501_2
(-)		 3sdq ALPHA-BISABOLENE
SYNTHASE
(Abies
grandis) 		4 / 5 GLN A 503
THR A 514
HIS A  41
LEU A  43
 None
 1.28A 6gbnB-3sdqA:
undetectable		 6gbnB-3sdqA:
19.80
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.
6HU9_Q_PCFQ202_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 5A,
MITOCHONDRIAL
CYTOCHROME C OXIDASE
SUBUNIT 1)		 3sdq ALPHA-BISABOLENE
SYNTHASE
(Abies
grandis) 		4 / 6 TYR A 637
ILE A 671
ALA A 559
ASP A 570
 None
 1.07A 6hu9m-3sdqA:
undetectable
6hu9q-3sdqA:
undetectable		 6hu9m-3sdqA:
20.76
6hu9q-3sdqA:
10.14
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.
6HU9_S_PCFS603_0
(CYTOCHROME B-C1
COMPLEX SUBUNIT 8
CYTOCHROME C OXIDASE
POLYPEPTIDE 5A,
MITOCHONDRIAL)		 3sdq ALPHA-BISABOLENE
SYNTHASE
(Abies
grandis) 		4 / 7 GLN A 250
GLY A 254
VAL A 282
SER A 262
 None
 1.07A 6hu9S-3sdqA:
undetectable
6hu9q-3sdqA:
1.6		 6hu9S-3sdqA:
8.24
6hu9q-3sdqA:
10.14
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.
6MN5_B_LLLB301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 3sdq ALPHA-BISABOLENE
SYNTHASE
(Abies
grandis) 		4 / 7 TYR A 641
GLU A 644
CYH A 733
GLU A 732
 None
 1.31A 6mn5B-3sdqA:
undetectable		 6mn5B-3sdqA:
6.38