SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '5fav'

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.
1AV2_D_DVAD6_0
(GRAMICIDIN A)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		3 / 3 TRP A 314
ALA A 319
VAL A 301
 None
 0.98A 1av2C-5favA:
undetectable
1av2D-5favA:
undetectable		 1av2C-5favA:
1.58
1av2D-5favA:
1.58
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.
1FXV_B_PNNB1001_0
(PENICILLIN ACYLASE)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		5 / 7 SER A 701
SER A 207
PHE A 202
ALA A 385
PHE A 389
 None
 1.25A 1fxvA-5favA:
undetectable
1fxvB-5favA:
undetectable		 1fxvA-5favA:
12.93
1fxvB-5favA:
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.
1LIN_A_TFPA154_1
(CALMODULIN)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		4 / 7 LEU A 327
MET A 583
LEU A 582
MET A 230
 None
 1.08A 1linA-5favA:
undetectable		 1linA-5favA:
10.99
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.
1QU2_A_MRCA1993_2
(ISOLEUCYL-TRNA
SYNTHETASE)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		3 / 3 GLU A 137
TRP A 176
LYS A 373
 None
 1.06A 1qu2A-5favA:
undetectable		 1qu2A-5favA:
21.10
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.
1QW6_A_H4BA901_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		3 / 3 ARG A  80
VAL A 172
TRP A 176
 None
 1.17A 1qw6A-5favA:
undetectable		 1qw6A-5favA:
18.68
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.
1QWC_A_H4BA901_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		3 / 3 ARG A  80
VAL A 172
TRP A 176
 None
 1.19A 1qwcA-5favA:
undetectable		 1qwcA-5favA:
18.68
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.
1VAG_A_H4BA901_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		3 / 3 ARG A  80
VAL A 172
TRP A 176
 None
 1.14A 1vagA-5favA:
2.3		 1vagA-5favA:
18.68
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.
1ZVI_A_H4BA901_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		3 / 3 ARG A  80
VAL A 172
TRP A 176
 None
 1.15A 1zviA-5favA:
2.2		 1zviA-5favA:
18.68
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.
2F8L_A_SAMA400_1
(HYPOTHETICAL PROTEIN
LMO1582)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		4 / 4 THR A 434
THR A 415
ASP A 420
ASP A  56
 None
 1.08A 2f8lA-5favA:
undetectable		 2f8lA-5favA:
19.26
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.
2HDN_B_TACB1888_1
(ELONGATION FACTOR
EF-TU)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		4 / 5 THR A 730
SER A 618
ASP A 617
SER A 713
 None
 1.28A 2hdnA-5favA:
undetectable
2hdnB-5favA:
undetectable
2hdnD-5favA:
undetectable		 2hdnA-5favA:
4.28
2hdnB-5favA:
19.38
2hdnD-5favA:
19.38
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.
2HDN_D_TACD2888_1
(ELONGATION FACTOR
EF-TU)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		4 / 5 SER A 713
THR A 730
SER A 618
ASP A 617
 None
 1.17A 2hdnB-5favA:
undetectable
2hdnC-5favA:
undetectable
2hdnD-5favA:
undetectable		 2hdnB-5favA:
19.38
2hdnC-5favA:
4.28
2hdnD-5favA:
19.38
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.
2HDN_J_TACJ5888_1
(ELONGATION FACTOR
EF-TU)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		4 / 6 THR A 730
SER A 618
ASP A 617
SER A 713
 None
 1.26A 2hdnI-5favA:
undetectable
2hdnJ-5favA:
2.3
2hdnL-5favA:
undetectable		 2hdnI-5favA:
4.28
2hdnJ-5favA:
19.38
2hdnL-5favA:
19.38
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.
2HDN_L_TACL6888_1
(ELONGATION FACTOR
EF-TU)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		4 / 6 SER A 713
THR A 730
SER A 618
ASP A 617
 None
 1.19A 2hdnJ-5favA:
2.3
2hdnK-5favA:
undetectable
2hdnL-5favA:
undetectable		 2hdnJ-5favA:
19.38
2hdnK-5favA:
4.28
2hdnL-5favA:
19.38
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.
2HRE_B_CHDB701_0
(FERROCHELATASE)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		3 / 3 LYS A 447
GLY A  57
PRO A  58
 None
 0.92A 2hreB-5favA:
undetectable		 2hreB-5favA:
18.34
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.
2IZQ_A_DVAA6_0
(GRAMICIDIN D)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		3 / 3 ALA A 319
VAL A 301
TRP A 314
 None
 0.96A 2izqA-5favA:
undetectable
2izqB-5favA:
undetectable		 2izqA-5favA:
1.58
2izqB-5favA:
1.58
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.
2KUH_A_HLTA150_1
(CALMODULIN)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		4 / 6 LEU A 582
MET A 230
LEU A 225
MET A 583
 None
 0.88A 2kuhA-5favA:
undetectable		 2kuhA-5favA:
6.28
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.
2OKC_A_SAMA500_1
(TYPE I RESTRICTION
ENZYME STYSJI M
PROTEIN)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		4 / 6 THR A 434
THR A 415
ASP A 420
ASP A  56
 None
 1.06A 2okcA-5favA:
undetectable		 2okcA-5favA:
20.54
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.
2QM9_B_TDZB202_1
(FATTY ACID-BINDING
PROTEIN, ADIPOCYTE)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		5 / 12 PHE A 545
TYR A 542
VAL A 626
ALA A 714
ILE A 671
 None
 1.17A 2qm9B-5favA:
undetectable		 2qm9B-5favA:
11.98
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.
2V0Z_O_C41O1327_2
(RENIN)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		4 / 8 SER A 724
THR A 730
LEU A 656
THR A 697
 None
 1.08A 2v0zO-5favA:
undetectable		 2v0zO-5favA:
17.86
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.
2V0Z_O_C41O1327_2
(RENIN)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		4 / 8 TYR A 667
SER A 724
LEU A 656
THR A 697
 None
 0.63A 2v0zO-5favA:
undetectable		 2v0zO-5favA:
17.86
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.
2VJ1_A_BEZA1303_0
(SARS CORONAVIRUS
MAIN PROTEINASE)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		3 / 3 HIS A 467
MET A 470
MET A 757
 None
 1.27A 2vj1A-5favA:
undetectable		 2vj1A-5favA:
16.12
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.
2W9G_A_TOPA1159_1
(DIHYDROFOLATE
REDUCTASE)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		5 / 10 LEU A  65
ASP A 365
LEU A 366
ILE A 298
THR A  59
 None
 1.06A 2w9gA-5favA:
undetectable		 2w9gA-5favA:
12.44
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.
2W9H_A_TOPA1160_1
(DIHYDROFOLATE
REDUCTASE)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		5 / 10 LEU A  65
ASP A 365
LEU A 366
ILE A 298
THR A  59
 None
 1.02A 2w9hA-5favA:
undetectable		 2w9hA-5favA:
12.44
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.
3A51_D_VDYD6178_1
(VITAMIN D
HYDROXYLASE)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		5 / 12 ILE A 338
ILE A 317
VAL A 422
PRO A 430
LEU A 371
 None
 1.23A 3a51D-5favA:
2.9		 3a51D-5favA:
18.89
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.
3A51_E_VDYE6178_1
(VITAMIN D
HYDROXYLASE)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		5 / 12 ILE A 338
ILE A 317
VAL A 422
PRO A 430
LEU A 371
 None
 1.24A 3a51E-5favA:
undetectable		 3a51E-5favA:
18.89
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.
3AG1_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		4 / 5 TYR A 344
ARG A 340
MET A 345
LEU A 414
 None
 1.42A 3ag1J-5favA:
undetectable		 3ag1J-5favA:
5.24
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.
3B7P_C_SPMC503_1
(SPERMIDINE SYNTHASE)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		5 / 12 TYR A 208
HIS A 209
ASP A 216
SER A 701
TYR A 506
 None
 1.39A 3b7pC-5favA:
undetectable		 3b7pC-5favA:
16.25
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.
3FRB_X_TOPX300_1
(DIHYDROFOLATE
REDUCTASE)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		5 / 11 LEU A  65
ASP A 365
LEU A 366
ILE A 298
THR A  59
 None
 1.04A 3frbX-5favA:
undetectable		 3frbX-5favA:
12.31
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.
3H52_A_486A3_1
(GLUCOCORTICOID
RECEPTOR)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		5 / 12 LEU A 326
MET A 583
MET A 230
LEU A 225
MET A 336
 None
 1.36A 3h52A-5favA:
undetectable		 3h52A-5favA:
15.90
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.
3NW2_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		3 / 3 ARG A  61
ILE A 317
TRP A 314
 None
 1.14A 3nw2A-5favA:
undetectable		 3nw2A-5favA:
19.26
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.
3NXU_A_RITA600_2
(CYTOCHROME P450 3A4)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		4 / 7 ILE A 742
LEU A 777
THR A 434
ARG A 818
 None
 0.99A 3nxuA-5favA:
undetectable		 3nxuA-5favA:
21.86
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.
3OU6_C_SAMC300_1
(SAM-DEPENDENT
METHYLTRANSFERASE)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		3 / 3 TYR A 584
GLY A 220
ASP A 222
 None
 0.65A 3ou6C-5favA:
undetectable		 3ou6C-5favA:
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.
3PMZ_E_TUBE220_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		4 / 6 TYR A 189
ILE A 566
SER A 204
SER A 198
 None
 1.36A 3pmzD-5favA:
undetectable		 3pmzD-5favA:
13.61
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.
3Q5R_A_KANA2002_1
(MULTIDRUG-EFFLUX
TRANSPORTER 1
REGULATOR)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		5 / 11 VAL A 516
ASN A 638
ILE A 553
TYR A 615
ILE A 622
 None
 1.48A 3q5rA-5favA:
undetectable		 3q5rA-5favA:
17.78
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.
3SOA_A_DB8A445_1
(CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE II
SUBUNIT ALPHA WITH A
BETA 7 LINKER)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		4 / 6 VAL A 461
MET A 792
PHE A 794
VAL A 449
 None
 1.10A 3soaA-5favA:
undetectable		 3soaA-5favA:
19.47
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.
3TYE_B_YTZB902_1
(DIHYDROPTEROATE
SYNTHASE)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		3 / 3 PHE A 175
LYS A 179
SER A 180
 None
 1.31A 3tyeB-5favA:
undetectable		 3tyeB-5favA:
18.64
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.
3UJ7_B_SAMB302_1
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		4 / 5 SER A 595
ASP A 253
ASP A 251
ILE A 255
 None
 1.35A 3uj7B-5favA:
undetectable		 3uj7B-5favA:
15.92
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.
4A97_E_ZPCE1318_2
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		4 / 6 GLU A 828
TYR A 428
VAL A 425
PHE A 825
 None
 0.95A 4a97E-5favA:
undetectable		 4a97E-5favA:
16.32
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.
4BB2_B_STRB1384_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		5 / 11 ALA A 385
SER A 386
GLN A 491
THR A 502
ILE A 700
 None
 1.19A 4bb2A-5favA:
undetectable
4bb2B-5favA:
undetectable		 4bb2A-5favA:
19.58
4bb2B-5favA:
3.45
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.
4DF2_A_4CHA506_0
(NADPH DEHYDROGENASE)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		4 / 6 HIS A 467
HIS A 462
TYR A 484
TYR A 444
 None
 1.33A 4df2A-5favA:
3.0		 4df2A-5favA:
21.50
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.
4DJF_A_C2FA300_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		5 / 12 ASN A 212
ILE A 150
SER A 135
ARG A 100
ILE A 380
 None
 1.29A 4djfA-5favA:
undetectable		 4djfA-5favA:
16.44
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.
4FGL_A_CLQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		5 / 12 GLY A 123
TYR A 271
ILE A 115
VAL A 372
ILE A 121
 None
 1.20A 4fglA-5favA:
undetectable
4fglB-5favA:
undetectable		 4fglA-5favA:
14.86
4fglB-5favA:
14.86
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.
4LV9_A_20JA601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		4 / 8 PHE A 202
ASP A 205
ALA A 385
SER A 382
 None
 1.18A 4lv9A-5favA:
3.1
4lv9B-5favA:
2.4		 4lv9A-5favA:
20.39
4lv9B-5favA:
20.39
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.
4LV9_A_20JA601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		4 / 8 PHE A 202
ASP A 205
SER A 207
ALA A 385
 None
 0.86A 4lv9A-5favA:
3.1
4lv9B-5favA:
2.4		 4lv9A-5favA:
20.39
4lv9B-5favA:
20.39
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.
4LV9_B_20JB601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		4 / 7 PHE A 202
ASP A 205
ALA A 385
SER A 382
 None
 1.16A 4lv9A-5favA:
3.1
4lv9B-5favA:
2.4		 4lv9A-5favA:
20.39
4lv9B-5favA:
20.39
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.
4LV9_B_20JB601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		4 / 7 PHE A 202
ASP A 205
SER A 207
ALA A 385
 None
 0.89A 4lv9A-5favA:
3.1
4lv9B-5favA:
2.4		 4lv9A-5favA:
20.39
4lv9B-5favA:
20.39
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.
4NKX_C_STRC601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		4 / 5 ILE A 622
ARG A 630
ASP A 540
VAL A 516
 None
 1.13A 4nkxC-5favA:
undetectable		 4nkxC-5favA:
21.95
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.
4NKX_D_STRD601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		4 / 5 ILE A 622
ARG A 630
ASP A 540
VAL A 516
 None
 1.14A 4nkxD-5favA:
undetectable		 4nkxD-5favA:
21.95
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.
4OBW_A_SAMA602_0
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		5 / 12 GLY A 726
SER A 724
ILE A 700
ASN A 702
GLY A 821
 None
 1.25A 4obwA-5favA:
undetectable		 4obwA-5favA:
16.67
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.
4PEV_A_ADNA501_1
(MEMBRANE LIPOPROTEIN
FAMILY PROTEIN)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		5 / 12 ASP A 205
SER A 701
PHE A 388
ASN A 702
GLN A 155
 None
 1.41A 4pevA-5favA:
undetectable		 4pevA-5favA:
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.
4R20_B_AERB602_1
(CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		5 / 9 ILE A 727
VAL A 758
GLY A 696
THR A 502
VAL A 490
 None
 1.21A 4r20B-5favA:
2.5		 4r20B-5favA:
20.39
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.
4U15_A_0HKA2001_1
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M3,LYSOZYME,MUSCARIN
IC ACETYLCHOLINE
RECEPTOR M3)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		5 / 12 SER A 823
THR A 434
ALA A 433
ALA A 460
ASN A 397
 None
 1.44A 4u15A-5favA:
undetectable		 4u15A-5favA:
19.52
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.
4U15_B_0HKB1201_1
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M3,LYSOZYME,MUSCARIN
IC ACETYLCHOLINE
RECEPTOR M3)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		5 / 12 SER A 823
THR A 434
ALA A 433
ALA A 460
ASN A 397
 None
 1.26A 4u15B-5favA:
undetectable		 4u15B-5favA:
19.52
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.
4YVG_A_SAMA301_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		5 / 12 GLY A 773
ILE A 741
LEU A 843
GLY A 845
PRO A 738
 None
 1.04A 4yvgA-5favA:
undetectable		 4yvgA-5favA:
17.70
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.
5BTA_G_MFXG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		4 / 7 ASP A 480
ARG A 497
GLY A 496
GLU A 585
 None
 0.90A 5btaA-5favA:
undetectable
5btaC-5favA:
undetectable
5btaD-5favA:
undetectable		 5btaA-5favA:
20.05
5btaC-5favA:
20.05
5btaD-5favA:
15.80
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.
5BTF_F_GFNF101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		4 / 7 ASP A 480
ARG A 497
GLY A 496
GLU A 585
 None
 0.91A 5btfA-5favA:
undetectable
5btfB-5favA:
undetectable
5btfC-5favA:
undetectable		 5btfA-5favA:
20.05
5btfB-5favA:
15.80
5btfC-5favA:
20.05
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.
5DXE_B_ESTB1000_1
(ESTROGEN RECEPTOR)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		5 / 10 ALA A 363
GLU A 362
LEU A 358
ARG A  48
LEU A 414
 None
MLI  A 905 ( 4.5A)
None
None
None
 1.49A 5dxeB-5favA:
undetectable		 5dxeB-5favA:
15.53
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.
5FVO_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		3 / 3 ARG A  80
VAL A 172
TRP A 176
 None
 1.22A 5fvoA-5favA:
0.7		 5fvoA-5favA:
18.41
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.
5HYR_A_ESTA601_1
(ESTROGEN RECEPTOR)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		5 / 10 ALA A 363
GLU A 362
LEU A 358
ARG A  48
LEU A 414
 None
MLI  A 905 ( 4.5A)
None
None
None
 1.50A 5hyrA-5favA:
undetectable		 5hyrA-5favA:
15.70
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.
5TZO_B_7V7B201_2
(ENDO-1,4-BETA-XYLANA
SE A)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		3 / 3 ARG A 274
PRO A 112
TYR A 106
 None
None
MLI  A 904 (-4.5A)
 1.04A 5tzoB-5favA:
undetectable		 5tzoB-5favA:
13.19
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.
5X6Y_A_SAMA902_1
(MRNA CAPPING ENZYME
P5)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		3 / 3 TYR A 632
ASP A 629
ASP A 654
 None
 0.82A 5x6yA-5favA:
undetectable		 5x6yA-5favA:
20.65
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.
6A93_B_8NUB3001_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 2A,SOLUBLE
CYTOCHROME B562)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		5 / 12 VAL A 608
SER A 503
THR A 502
LEU A 723
PHE A 389
 None
 1.34A 6a93B-5favA:
undetectable		 6a93B-5favA:
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.
6C2M_A_SUEA1202_0
(NS3 PROTEASE)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		5 / 12 GLN A 793
GLY A 821
LEU A 723
GLY A 726
SER A 699
 None
 1.07A 6c2mA-5favA:
undetectable		 6c2mA-5favA:
7.54
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.
6MN5_B_LLLB301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		4 / 7 ARG A 291
GLU A 294
CYH A 369
GLU A 119
 None
 1.26A 6mn5B-5favA:
undetectable		 6mn5B-5favA:
6.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MN5_B_LLLB301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		4 / 7 ASP A 288
ARG A 291
GLU A 294
CYH A 369
 None
 1.24A 6mn5B-5favA:
undetectable		 6mn5B-5favA:
6.83