SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1ddg'

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.
1DDR_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		 1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT
(Escherichia
coli) 		5 / 12 ILE A 377
ALA A 375
LEU A 294
ILE A 360
LEU A 321
 None
 0.92A 1ddrA-1ddgA:
undetectable		 1ddrA-1ddgA:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DDS_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)		 1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT
(Escherichia
coli) 		5 / 12 ILE A 377
ALA A 375
LEU A 294
ILE A 360
LEU A 321
 None
 1.00A 1ddsB-1ddgA:
undetectable		 1ddsB-1ddgA:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DHI_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		 1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT
(Escherichia
coli) 		5 / 11 ILE A 377
ALA A 375
LEU A 294
ILE A 360
LEU A 321
 None
 0.92A 1dhiB-1ddgA:
undetectable		 1dhiB-1ddgA:
19.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DHJ_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		 1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT
(Escherichia
coli) 		5 / 12 ILE A 377
ALA A 375
LEU A 294
ILE A 360
LEU A 321
 None
 0.93A 1dhjB-1ddgA:
undetectable		 1dhjB-1ddgA:
19.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DRA_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		 1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT
(Escherichia
coli) 		5 / 12 ILE A 377
ALA A 375
LEU A 294
ILE A 360
LEU A 321
 None
 0.94A 1draB-1ddgA:
undetectable		 1draB-1ddgA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DRB_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		 1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT
(Escherichia
coli) 		5 / 12 ILE A 377
ALA A 375
LEU A 294
ILE A 360
LEU A 321
 None
 0.95A 1drbB-1ddgA:
undetectable		 1drbB-1ddgA:
19.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DYI_B_FOLB161_0
(DIHYDROFOLATE
REDUCTASE)		 1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT
(Escherichia
coli) 		5 / 12 ILE A 377
ALA A 375
LEU A 294
ILE A 360
LEU A 321
 None
 0.93A 1dyiB-1ddgA:
undetectable		 1dyiB-1ddgA:
19.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JOL_B_FFOB361_0
(DIHYDROFOLATE
REDUCTASE)		 1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT
(Escherichia
coli) 		5 / 12 ILE A 377
ALA A 375
LEU A 294
ILE A 360
LEU A 321
 None
 0.95A 1jolB-1ddgA:
undetectable		 1jolB-1ddgA:
19.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OE2_A_CUA502_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT
(Escherichia
coli) 		3 / 3 GLU A 260
HIS A 258
HIS A 402
 None
 0.72A 1oe2A-1ddgA:
0.0		 1oe2A-1ddgA:
24.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RA2_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT
(Escherichia
coli) 		5 / 12 ILE A 377
ALA A 375
LEU A 294
ILE A 360
LEU A 321
 None
 0.89A 1ra2A-1ddgA:
undetectable		 1ra2A-1ddgA:
19.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RA8_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT
(Escherichia
coli) 		5 / 12 ILE A 377
ALA A 375
LEU A 294
ILE A 360
LEU A 321
 None
 0.89A 1ra8A-1ddgA:
undetectable		 1ra8A-1ddgA:
19.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RB3_B_MTXB161_1
(DIHYDROFOLATE
REDUCTASE)		 1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT
(Escherichia
coli) 		5 / 12 ILE A 377
ALA A 375
LEU A 294
ILE A 360
LEU A 321
 None
 0.94A 1rb3B-1ddgA:
undetectable		 1rb3B-1ddgA:
19.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RD7_B_FOLB361_0
(DIHYDROFOLATE
REDUCTASE)		 1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT
(Escherichia
coli) 		5 / 12 ILE A 377
ALA A 375
LEU A 294
ILE A 360
LEU A 321
 None
 0.91A 1rd7B-1ddgA:
undetectable		 1rd7B-1ddgA:
19.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RX2_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT
(Escherichia
coli) 		5 / 12 ILE A 377
ALA A 375
LEU A 294
ILE A 360
LEU A 321
 None
 0.93A 1rx2A-1ddgA:
undetectable		 1rx2A-1ddgA:
19.73
Potential target for repurposing, i.e. matched protein structure has less than 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_1
(DIHYDROFOLATE
REDUCTASE)		 1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT
(Escherichia
coli) 		5 / 12 ILE A 377
ALA A 375
LEU A 294
ILE A 360
LEU A 321
 None
 1.00A 1rx3A-1ddgA:
undetectable		 1rx3A-1ddgA:
19.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RX7_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT
(Escherichia
coli) 		5 / 12 ILE A 377
ALA A 375
LEU A 294
ILE A 360
LEU A 321
 None
 0.94A 1rx7A-1ddgA:
undetectable		 1rx7A-1ddgA:
19.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RX8_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT
(Escherichia
coli) 		5 / 12 ILE A 377
ALA A 375
LEU A 294
ILE A 360
LEU A 321
 None
 0.96A 1rx8A-1ddgA:
undetectable		 1rx8A-1ddgA:
19.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TW4_A_CHDA130_1
(FATTY ACID-BINDING
PROTEIN)		 1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT
(Escherichia
coli) 		3 / 3 TYR A 594
ARG A 533
GLN A 529
 None
 0.83A 1tw4A-1ddgA:
0.0		 1tw4A-1ddgA:
19.17
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.
1VPT_A_SAMA400_1
(VP39)		 1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT
(Escherichia
coli) 		3 / 3 ASP A 362
ARG A 365
ASP A 411
 None
 0.92A 1vptA-1ddgA:
3.7		 1vptA-1ddgA:
22.14
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.
2DRC_B_MTXB161_1
(DIHYDROFOLATE
REDUCTASE)		 1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT
(Escherichia
coli) 		5 / 12 ILE A 377
ALA A 375
LEU A 294
ILE A 360
LEU A 321
 None
 0.95A 2drcB-1ddgA:
undetectable		 2drcB-1ddgA:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X45_A_HSMA1160_1
(ALLERGEN ARG R 1)		 1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT
(Escherichia
coli) 		4 / 6 SER A 367
TYR A 332
VAL A 329
TYR A 354
 None
 1.10A 2x45A-1ddgA:
0.0		 2x45A-1ddgA:
17.56
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.
2X45_B_HSMB1160_1
(ALLERGEN ARG R 1)		 1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT
(Escherichia
coli) 		4 / 7 SER A 367
TYR A 332
VAL A 329
TYR A 354
 None
 1.09A 2x45B-1ddgA:
undetectable		 2x45B-1ddgA:
17.56
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.
2X45_C_HSMC1160_1
(ALLERGEN ARG R 1)		 1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT
(Escherichia
coli) 		4 / 7 SER A 367
TYR A 332
VAL A 329
TYR A 354
 None
 1.08A 2x45C-1ddgA:
undetectable		 2x45C-1ddgA:
17.56
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.
3BU1_A_HSMA301_1
(LIPOCALIN)		 1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT
(Escherichia
coli) 		4 / 7 SER A 367
TYR A 332
VAL A 329
TYR A 354
 None
 1.09A 3bu1A-1ddgA:
undetectable		 3bu1A-1ddgA:
16.53
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.
3C6G_A_VD3A701_2
(CYTOCHROME P450 2R1)		 1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT
(Escherichia
coli) 		3 / 3 MET A 471
VAL A 506
GLU A 501
 None
 0.86A 3c6gA-1ddgA:
0.0		 3c6gA-1ddgA:
21.19
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.
3DAU_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT
(Escherichia
coli) 		5 / 12 ILE A 377
ALA A 375
LEU A 294
ILE A 360
LEU A 321
 None
 0.93A 3dauA-1ddgA:
undetectable		 3dauA-1ddgA:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EKQ_A_ROCA100_2
(PROTEASE)		 1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT
(Escherichia
coli) 		5 / 9 LEU A 241
VAL A 401
ILE A 439
GLY A 277
ILE A 261
 None
 1.00A 3ekqB-1ddgA:
undetectable		 3ekqB-1ddgA:
15.12
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.
3IA4_D_MTXD164_2
(DIHYDROFOLATE
REDUCTASE)		 1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT
(Escherichia
coli) 		3 / 3 ARG A 428
ILE A 259
THR A 462
 None
None
FAD  A 600 ( 3.8A)
 0.56A 3ia4D-1ddgA:
1.5		 3ia4D-1ddgA:
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.
3JB1_A_SAMA1101_0
(STRUCTURAL PROTEIN
VP3)		 1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT
(Escherichia
coli) 		5 / 12 ALA A 418
ASP A 283
PRO A 284
ALA A 285
ALA A 426
 None
 1.05A 3jb1A-1ddgA:
0.8		 3jb1A-1ddgA:
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.
3N23_A_OBNA1_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		 1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT
(Escherichia
coli) 		5 / 11 PRO A 490
ASP A 495
ASN A 489
THR A 248
ILE A 247
 None
 1.42A 3n23A-1ddgA:
3.0		 3n23A-1ddgA:
17.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QL0_A_FOLA160_0
(DIHYDROFOLATE
REDUCTASE)		 1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT
(Escherichia
coli) 		5 / 12 ILE A 377
ALA A 375
LEU A 294
ILE A 360
LEU A 321
 None
 0.94A 3ql0A-1ddgA:
undetectable		 3ql0A-1ddgA:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TQ9_A_MTXA2001_1
(DIHYDROFOLATE
REDUCTASE)		 1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT
(Escherichia
coli) 		5 / 12 ILE A 377
ALA A 375
LEU A 294
ILE A 360
LEU A 321
 None
 0.99A 3tq9A-1ddgA:
2.1		 3tq9A-1ddgA:
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.
4A9J_A_TYLA1188_1
(BROMODOMAIN
CONTAINING 2)		 1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT
(Escherichia
coli) 		4 / 5 VAL A 437
LEU A 268
LEU A 263
ILE A 390
 None
 0.89A 4a9jA-1ddgA:
0.0		 4a9jA-1ddgA:
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.
4A9J_B_TYLB1187_1
(BROMODOMAIN
CONTAINING 2)		 1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT
(Escherichia
coli) 		4 / 5 VAL A 437
LEU A 268
LEU A 263
ILE A 390
 None
 0.89A 4a9jB-1ddgA:
0.0		 4a9jB-1ddgA:
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.
4A9J_C_TYLC1184_1
(BROMODOMAIN
CONTAINING 2)		 1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT
(Escherichia
coli) 		4 / 5 VAL A 437
LEU A 268
LEU A 263
ILE A 390
 None
 0.84A 4a9jC-1ddgA:
0.0		 4a9jC-1ddgA:
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.
4DFR_B_MTXB162_1
(DIHYDROFOLATE
REDUCTASE)		 1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT
(Escherichia
coli) 		5 / 12 ILE A 377
ALA A 375
LEU A 294
ILE A 360
LEU A 321
 None
 0.97A 4dfrB-1ddgA:
undetectable		 4dfrB-1ddgA:
19.89
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.
4EJ1_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT
(Escherichia
coli) 		5 / 12 ILE A 377
ALA A 375
LEU A 294
ILE A 360
LEU A 321
 None
 0.90A 4ej1A-1ddgA:
undetectable		 4ej1A-1ddgA:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FHB_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT
(Escherichia
coli) 		5 / 12 ILE A 377
ALA A 375
LEU A 294
ILE A 360
LEU A 321
 None
 0.91A 4fhbA-1ddgA:
undetectable		 4fhbA-1ddgA:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 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_1
(DIHYDROFOLATE
REDUCTASE)		 1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT
(Escherichia
coli) 		5 / 12 ILE A 377
ALA A 375
LEU A 294
ILE A 360
LEU A 321
 None
 0.99A 4gh8A-1ddgA:
undetectable		 4gh8A-1ddgA:
18.77
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.
4I13_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT
(Escherichia
coli) 		5 / 12 ILE A 377
ALA A 375
LEU A 294
ILE A 360
LEU A 321
 None
 0.97A 4i13A-1ddgA:
undetectable		 4i13A-1ddgA:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LZR_A_LOCA201_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		 1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT
(Escherichia
coli) 		4 / 8 VAL A 437
LEU A 268
LEU A 263
ILE A 390
 None
 0.87A 4lzrA-1ddgA:
undetectable		 4lzrA-1ddgA:
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.
4MJW_A_ACTA603_0
(CHOLINE OXIDASE)		 1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT
(Escherichia
coli) 		3 / 3 ARG A 520
HIS A 491
SER A 519
 None
 0.62A 4mjwA-1ddgA:
0.0
4mjwB-1ddgA:
undetectable		 4mjwA-1ddgA:
22.38
4mjwB-1ddgA:
22.38
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.
4MJW_B_ACTB603_0
(CHOLINE OXIDASE)		 1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT
(Escherichia
coli) 		3 / 3 SER A 519
ARG A 520
HIS A 491
 None
 0.58A 4mjwA-1ddgA:
3.4
4mjwB-1ddgA:
undetectable		 4mjwA-1ddgA:
22.38
4mjwB-1ddgA:
22.38
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.
4P3R_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT
(Escherichia
coli) 		5 / 12 ILE A 377
ALA A 375
LEU A 294
ILE A 360
LEU A 321
 None
 0.91A 4p3rA-1ddgA:
undetectable		 4p3rA-1ddgA:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PSS_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT
(Escherichia
coli) 		5 / 12 ILE A 377
ALA A 375
LEU A 294
ILE A 360
LEU A 321
 None
 0.92A 4pssA-1ddgA:
undetectable		 4pssA-1ddgA:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PSY_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT
(Escherichia
coli) 		5 / 12 ILE A 377
ALA A 375
LEU A 294
ILE A 360
LEU A 321
 None
 0.91A 4psyA-1ddgA:
undetectable		 4psyA-1ddgA:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QLF_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT
(Escherichia
coli) 		5 / 11 ILE A 377
ALA A 375
LEU A 294
ILE A 360
LEU A 321
 None
 0.94A 4qlfA-1ddgA:
2.0		 4qlfA-1ddgA:
19.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QLG_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT
(Escherichia
coli) 		5 / 12 ILE A 377
ALA A 375
LEU A 294
ILE A 360
LEU A 321
 None
 0.92A 4qlgB-1ddgA:
undetectable		 4qlgB-1ddgA:
19.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RGC_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT
(Escherichia
coli) 		5 / 12 ILE A 377
ALA A 375
LEU A 294
ILE A 360
LEU A 321
 None
 0.91A 4rgcA-1ddgA:
undetectable		 4rgcA-1ddgA:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X5F_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT
(Escherichia
coli) 		5 / 12 ILE A 377
ALA A 375
LEU A 294
ILE A 360
LEU A 321
 None
 0.90A 4x5fA-1ddgA:
undetectable		 4x5fA-1ddgA:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X5F_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT
(Escherichia
coli) 		5 / 12 ILE A 377
ALA A 375
LEU A 294
ILE A 360
LEU A 321
 None
 0.91A 4x5fB-1ddgA:
undetectable		 4x5fB-1ddgA:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KQX_A_ROCA101_2
(PROTEASE E35D-SQV)		 1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT
(Escherichia
coli) 		5 / 9 LEU A 241
VAL A 401
ILE A 439
GLY A 277
ILE A 261
 None
 1.08A 5kqxB-1ddgA:
undetectable		 5kqxB-1ddgA:
14.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NU7_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 4)		 1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT
(Escherichia
coli) 		4 / 8 LEU A 532
ALA A 547
VAL A 528
TYR A 594
 None
 1.00A 5nu7A-1ddgA:
0.0		 5nu7A-1ddgA:
18.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VW4_A_NCAA403_0
(FERREDOXIN--NADP
REDUCTASE)		 1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT
(Escherichia
coli) 		6 / 9 SER A 389
THR A 462
GLY A 463
ALA A 465
CYH A 552
GLY A 553
 FAD  A 600 (-3.2A)
FAD  A 600 ( 3.8A)
None
FAD  A 600 ( 4.0A)
None
None
 0.24A 5vw4A-1ddgA:
29.3		 5vw4A-1ddgA:
28.90
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.
5VW5_A_NCAA403_0
(FERREDOXIN--NADP
REDUCTASE)		 1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT
(Escherichia
coli) 		5 / 8 SER A 389
THR A 462
GLY A 463
CYH A 552
GLY A 553
 FAD  A 600 (-3.2A)
FAD  A 600 ( 3.8A)
None
None
None
 0.24A 5vw5A-1ddgA:
29.1		 5vw5A-1ddgA:
28.90
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.
5VW9_A_NCAA403_0
(FERREDOXIN--NADP
REDUCTASE)		 1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT
(Escherichia
coli) 		6 / 8 SER A 389
THR A 462
GLY A 463
ALA A 465
CYH A 552
GLY A 553
 FAD  A 600 (-3.2A)
FAD  A 600 ( 3.8A)
None
FAD  A 600 ( 4.0A)
None
None
 0.22A 5vw9A-1ddgA:
29.5		 5vw9A-1ddgA:
28.90
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.
5Y1Y_A_HNQA201_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		 1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT
(Escherichia
coli) 		4 / 8 VAL A 437
LEU A 268
LEU A 263
ILE A 390
 None
 0.81A 5y1yA-1ddgA:
undetectable		 5y1yA-1ddgA:
14.48
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.
6A7P_A_9SCA601_1
(SERUM ALBUMIN)		 1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT
(Escherichia
coli) 		4 / 5 ASN A 282
VAL A 435
LEU A 241
SER A 423
 None
 1.12A 6a7pA-1ddgA:
undetectable		 6a7pA-1ddgA:
21.43