SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3iwk'

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.
1C9S_N_TRPN81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		5 / 10 GLY A 363
ALA A 352
THR A 378
ILE A 359
GLY A 396
 None
 0.93A 1c9sN-3iwkA:
undetectable
1c9sO-3iwkA:
undetectable		 1c9sN-3iwkA:
10.34
1c9sO-3iwkA:
10.34
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.
1C9S_P_TRPP81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		5 / 11 GLY A 363
ALA A 352
THR A 378
ILE A 359
GLY A 396
 None
 0.93A 1c9sP-3iwkA:
undetectable
1c9sQ-3iwkA:
undetectable		 1c9sP-3iwkA:
10.34
1c9sQ-3iwkA:
10.34
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.
1C9S_Q_TRPQ81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		5 / 9 GLY A 363
ALA A 352
THR A 378
ILE A 359
GLY A 396
 None
 0.91A 1c9sQ-3iwkA:
undetectable
1c9sR-3iwkA:
undetectable		 1c9sQ-3iwkA:
10.34
1c9sR-3iwkA:
10.34
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.
1C9S_V_TRPV81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		5 / 10 GLY A 396
GLY A 363
ALA A 352
THR A 378
ILE A 359
 None
 0.92A 1c9sL-3iwkA:
undetectable
1c9sV-3iwkA:
undetectable		 1c9sL-3iwkA:
10.34
1c9sV-3iwkA:
10.34
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.
1DVT_A_FLPA125_1
(TRANSTHYRETIN)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		4 / 8 LEU A 184
LEU A 157
SER A 235
THR A 237
 None
 0.86A 1dvtA-3iwkA:
undetectable
1dvtB-3iwkA:
undetectable		 1dvtA-3iwkA:
13.47
1dvtB-3iwkA:
13.47
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.
1DVX_B_DIFB125_1
(TRANSTHYRETIN)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		4 / 7 LEU A 184
LEU A 157
SER A 235
THR A 237
 None
 0.69A 1dvxA-3iwkA:
undetectable		 1dvxA-3iwkA:
13.47
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.
1DVX_B_DIFB125_2
(TRANSTHYRETIN)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		4 / 7 LEU A 184
LEU A 157
SER A 235
THR A 237
 None
 0.71A 1dvxB-3iwkA:
undetectable		 1dvxB-3iwkA:
13.47
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.
1GTF_E_TRPE81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN
(TRAP))		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		5 / 9 GLY A 396
GLY A 363
ALA A 352
THR A 378
ILE A 359
 None
 0.88A 1gtfD-3iwkA:
undetectable
1gtfE-3iwkA:
undetectable		 1gtfD-3iwkA:
10.34
1gtfE-3iwkA:
10.34
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.
1GTF_K_TRPK81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN
(TRAP))		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		5 / 10 GLY A 396
GLY A 363
ALA A 352
THR A 378
ILE A 359
 None
 0.88A 1gtfJ-3iwkA:
undetectable
1gtfK-3iwkA:
undetectable		 1gtfJ-3iwkA:
10.34
1gtfK-3iwkA:
10.34
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.
1GTF_Q_TRPQ81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN
(TRAP))		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		5 / 11 GLY A 363
ALA A 352
THR A 378
ILE A 359
GLY A 396
 None
 0.93A 1gtfQ-3iwkA:
undetectable
1gtfR-3iwkA:
undetectable		 1gtfQ-3iwkA:
10.34
1gtfR-3iwkA:
10.34
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.
1GTF_R_TRPR81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN
(TRAP))		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		5 / 9 GLY A 363
ALA A 352
THR A 378
ILE A 359
GLY A 396
 None
 0.93A 1gtfR-3iwkA:
undetectable
1gtfS-3iwkA:
undetectable		 1gtfR-3iwkA:
10.34
1gtfS-3iwkA:
10.34
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.
1GTF_S_TRPS81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN
(TRAP))		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		5 / 11 GLY A 363
ALA A 352
THR A 378
ILE A 359
GLY A 396
 None
 0.93A 1gtfS-3iwkA:
undetectable
1gtfT-3iwkA:
undetectable		 1gtfS-3iwkA:
10.34
1gtfT-3iwkA:
10.34
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.
1GTN_T_TRPT81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		5 / 11 GLY A 363
ALA A 352
THR A 378
ILE A 359
GLY A 396
 None
 0.91A 1gtnT-3iwkA:
undetectable
1gtnU-3iwkA:
undetectable		 1gtnT-3iwkA:
10.34
1gtnU-3iwkA:
10.34
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.
1GTN_V_TRPV81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		5 / 12 GLY A 396
GLY A 363
ALA A 352
THR A 378
ILE A 359
 None
 0.92A 1gtnL-3iwkA:
undetectable
1gtnV-3iwkA:
undetectable		 1gtnL-3iwkA:
10.34
1gtnV-3iwkA:
10.34
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.
1ICT_D_T44D129_1
(TRANSTHYRETIN)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		4 / 6 LEU A 184
LEU A 157
SER A 235
THR A 237
 None
 0.88A 1ictB-3iwkA:
undetectable		 1ictB-3iwkA:
13.12
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.
1ICT_D_T44D129_2
(TRANSTHYRETIN)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		4 / 7 LEU A 184
LEU A 157
SER A 235
THR A 237
 None
 0.84A 1ictD-3iwkA:
undetectable		 1ictD-3iwkA:
13.12
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.
1TYR_A_9CRA131_1
(TRANSTHYRETIN)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		4 / 6 LEU A 184
LEU A 157
SER A 235
THR A 237
 None
 0.75A 1tyrA-3iwkA:
undetectable		 1tyrA-3iwkA:
13.12
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.
1UTD_E_TRPE81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		5 / 10 GLY A 363
ALA A 352
THR A 378
ILE A 359
GLY A 396
 None
 0.90A 1utdE-3iwkA:
undetectable
1utdF-3iwkA:
undetectable		 1utdE-3iwkA:
10.34
1utdF-3iwkA:
10.34
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.
1UTD_H_TRPH81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		5 / 10 GLY A 363
ALA A 352
THR A 378
ILE A 359
GLY A 396
 None
 0.87A 1utdH-3iwkA:
undetectable
1utdI-3iwkA:
undetectable		 1utdH-3iwkA:
10.34
1utdI-3iwkA:
10.34
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.
1UTD_L_TRPL81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		5 / 12 GLY A 363
ALA A 352
THR A 378
ILE A 359
GLY A 396
 None
 0.93A 1utdL-3iwkA:
undetectable
1utdM-3iwkA:
undetectable		 1utdL-3iwkA:
10.34
1utdM-3iwkA:
10.34
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.
1UTD_O_TRPO81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		5 / 12 GLY A 363
ALA A 352
THR A 378
ILE A 359
GLY A 396
 None
 0.91A 1utdO-3iwkA:
undetectable
1utdP-3iwkA:
undetectable		 1utdO-3iwkA:
10.34
1utdP-3iwkA:
10.34
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.
1UTD_P_TRPP81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		5 / 11 GLY A 363
ALA A 352
THR A 378
ILE A 359
GLY A 396
 None
 0.89A 1utdP-3iwkA:
undetectable
1utdQ-3iwkA:
undetectable		 1utdP-3iwkA:
10.34
1utdQ-3iwkA:
10.34
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.
1UTD_S_TRPS81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		5 / 11 GLY A 363
ALA A 352
THR A 378
ILE A 359
GLY A 396
 None
 0.91A 1utdS-3iwkA:
undetectable
1utdT-3iwkA:
undetectable		 1utdS-3iwkA:
10.34
1utdT-3iwkA:
10.34
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.
1UTD_U_TRPU81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		5 / 10 GLY A 363
ALA A 352
THR A 378
ILE A 359
GLY A 396
 None
 0.93A 1utdU-3iwkA:
undetectable
1utdV-3iwkA:
undetectable		 1utdU-3iwkA:
10.34
1utdV-3iwkA:
10.34
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.
1UTD_V_TRPV81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		5 / 11 GLY A 396
GLY A 363
ALA A 352
THR A 378
ILE A 359
 None
 0.93A 1utdL-3iwkA:
undetectable
1utdV-3iwkA:
undetectable		 1utdL-3iwkA:
10.34
1utdV-3iwkA:
10.34
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.
2QBL_A_CAMA517_0
(CYTOCHROME P450-CAM)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		4 / 7 LEU A 314
VAL A 283
THR A 282
ASP A 276
 None
 0.99A 2qblA-3iwkA:
undetectable		 2qblA-3iwkA:
22.05
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.
2Y7H_C_SAMC530_1
(TYPE I RESTRICTION
ENZYME ECOKI M
PROTEIN)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		3 / 3 TYR A 419
GLU A 393
ASN A 162
 None
NAD  A 505 (-2.9A)
NAD  A 505 ( 4.8A)
 1.04A 2y7hC-3iwkA:
undetectable		 2y7hC-3iwkA:
22.05
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.
3A7E_A_SAMA216_1
(CATECHOL
O-METHYLTRANSFERASE)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		4 / 6 GLY A  37
SER A   7
ILE A  36
ILE A  28
 None
 0.93A 3a7eA-3iwkA:
4.1		 3a7eA-3iwkA:
19.31
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.
3BF1_B_PAUB248_0
(TYPE III
PANTOTHENATE KINASE)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		5 / 12 ASN A 448
VAL A 273
VAL A 302
THR A 282
ILE A 267
 None
 1.25A 3bf1A-3iwkA:
undetectable
3bf1B-3iwkA:
undetectable		 3bf1A-3iwkA:
19.88
3bf1B-3iwkA:
19.88
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.
3CFQ_A_DIFA1_1
(TRANSTHYRETIN)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		4 / 6 LEU A 184
LEU A 157
SER A 235
THR A 237
 None
 0.79A 3cfqA-3iwkA:
undetectable		 3cfqA-3iwkA:
12.52
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.
3CFQ_B_DIFB1_1
(TRANSTHYRETIN)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		4 / 7 LEU A 184
LEU A 157
SER A 235
THR A 237
 None
 0.86A 3cfqA-3iwkA:
undetectable
3cfqB-3iwkA:
undetectable		 3cfqA-3iwkA:
12.52
3cfqB-3iwkA:
12.52
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.
3DCM_X_SAMX5452_0
(UNCHARACTERIZED
PROTEIN TM_1570)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		6 / 11 ALA A 414
GLY A 422
ILE A 411
LEU A 436
SER A 437
ALA A 439
 None
 1.40A 3dcmX-3iwkA:
3.1		 3dcmX-3iwkA:
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.
3HLW_B_CE3B302_2
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		3 / 3 CYH A 100
PRO A 160
ASP A 110
 None
NAD  A 505 (-4.4A)
None
 0.97A 3hlwB-3iwkA:
undetectable		 3hlwB-3iwkA:
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.
3OZK_B_T44B128_1
(TRANSTHYRETIN)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		4 / 7 LEU A 184
LEU A 157
SER A 235
THR A 237
 None
 0.91A 3ozkB-3iwkA:
undetectable		 3ozkB-3iwkA:
12.92
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.
4D7B_A_TCWA1126_1
(TRANSTHYRETIN)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		4 / 6 LEU A 184
LEU A 157
SER A 235
THR A 237
 None
 0.85A 4d7bB-3iwkA:
undetectable		 4d7bB-3iwkA:
13.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FR8_A_TNGA601_1
(ALDEHYDE
DEHYDROGENASE,
MITOCHONDRIAL)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		6 / 11 ASN A 162
LEU A 166
MET A 167
TRP A 170
CYH A 294
SER A 295
 NAD  A 505 ( 4.8A)
None
None
None
NAD  A 505 (-3.0A)
None
 0.57A 4fr8A-3iwkA:
59.0		 4fr8A-3iwkA:
42.52
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.
4G0U_F_ASWF101_1
(DNA TOPOISOMERASE
2-BETA)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		4 / 6 PRO A 207
ARG A  64
GLY A  63
ALA A  69
 None
 1.11A 4g0uA-3iwkA:
undetectable		 4g0uA-3iwkA:
20.57
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.
4I89_A_1FLA201_1
(TRANSTHYRETIN)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		4 / 6 LEU A 184
LEU A 157
SER A 235
THR A 237
 None
 0.80A 4i89A-3iwkA:
undetectable		 4i89A-3iwkA:
12.52
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.
4IKI_B_IMNB201_1
(TRANSTHYRETIN)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		4 / 6 LEU A 184
LEU A 157
SER A 235
THR A 237
 None
 0.97A 4ikiB-3iwkA:
undetectable		 4ikiB-3iwkA:
13.12
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.
4IKJ_A_SUZA201_1
(TRANSTHYRETIN)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		4 / 7 LEU A 184
LEU A 157
SER A 235
THR A 237
 None
 0.97A 4ikjA-3iwkA:
undetectable
4ikjB-3iwkA:
undetectable		 4ikjA-3iwkA:
13.12
4ikjB-3iwkA:
13.12
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.
4IKK_B_SUZB201_1
(TRANSTHYRETIN)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		4 / 7 LEU A 184
LEU A 157
SER A 235
THR A 237
 None
 0.96A 4ikkA-3iwkA:
undetectable
4ikkB-3iwkA:
undetectable		 4ikkA-3iwkA:
13.12
4ikkB-3iwkA:
13.12
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.
4IKL_A_SUZA201_1
(TRANSTHYRETIN)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		4 / 7 LEU A 184
LEU A 157
SER A 235
THR A 237
 None
 0.91A 4iklA-3iwkA:
undetectable
4iklB-3iwkA:
undetectable		 4iklA-3iwkA:
13.12
4iklB-3iwkA:
13.12
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.
4IKL_B_SUZB201_1
(TRANSTHYRETIN)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		4 / 8 LEU A 184
LEU A 157
SER A 235
THR A 237
 None
 0.95A 4iklA-3iwkA:
undetectable
4iklB-3iwkA:
undetectable		 4iklA-3iwkA:
13.12
4iklB-3iwkA:
13.12
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.
4ODO_B_FK5B203_2
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		3 / 3 ALA A 457
GLN A 451
GLY A 285
 None
 0.49A 4odoC-3iwkA:
undetectable		 4odoC-3iwkA:
14.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OLT_B_GCSB301_1
(CHITOSANASE)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		3 / 3 GLY A 334
PRO A 335
GLN A 292
 None
 0.43A 4oltB-3iwkA:
1.0		 4oltB-3iwkA:
19.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PM5_A_CE3A301_2
(BETA-LACTAMASE
CTX-M-14)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		3 / 3 CYH A 100
PRO A 160
ASP A 110
 None
NAD  A 505 (-4.4A)
None
 0.98A 4pm5A-3iwkA:
undetectable		 4pm5A-3iwkA:
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.
4PWJ_B_30ZB201_1
(TRANSTHYRETIN)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		4 / 7 LEU A 184
LEU A 157
SER A 235
THR A 237
 None
 0.81A 4pwjB-3iwkA:
undetectable		 4pwjB-3iwkA:
14.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QWP_B_GCSB305_1
(CHITOSANASE)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		3 / 3 GLY A 334
PRO A 335
GLN A 292
 None
 0.40A 4qwpB-3iwkA:
0.7		 4qwpB-3iwkA:
19.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YBN_A_ACTA303_0
(FLAVIN-NUCLEOTIDE-BI
NDING PROTEIN)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		3 / 3 VAL A 204
TYR A  77
ALA A  80
 None
 0.49A 4ybnA-3iwkA:
undetectable		 4ybnA-3iwkA:
18.90
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.
5BMV_C_VLBC507_2
(TUBULIN ALPHA-1B
CHAIN)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		4 / 7 VAL A 345
ILE A 349
VAL A 375
ILE A 336
 None
 0.80A 5bmvC-3iwkA:
undetectable		 5bmvC-3iwkA:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BOJ_A_4TXA201_1
(TRANSTHYRETIN)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		4 / 6 LEU A 184
LEU A 157
SER A 235
THR A 237
 None
 0.74A 5bojA-3iwkA:
undetectable		 5bojA-3iwkA:
13.12
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.
5EEV_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		5 / 10 GLY A 396
GLY A 363
ALA A 352
THR A 378
ILE A 359
 None
 0.91A 5eevA-3iwkA:
undetectable
5eevB-3iwkA:
undetectable		 5eevA-3iwkA:
10.34
5eevB-3iwkA:
10.34
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.
5EEW_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		5 / 10 GLY A 396
GLY A 363
ALA A 352
THR A 378
ILE A 359
 None
 0.91A 5eewA-3iwkA:
undetectable
5eewB-3iwkA:
undetectable		 5eewA-3iwkA:
10.34
5eewB-3iwkA:
10.34
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.
5EEX_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		5 / 10 GLY A 396
GLY A 363
ALA A 352
THR A 378
ILE A 359
 None
 0.91A 5eexA-3iwkA:
undetectable
5eexB-3iwkA:
undetectable		 5eexA-3iwkA:
10.34
5eexB-3iwkA:
10.34
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.
5EEY_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		5 / 10 GLY A 396
GLY A 363
ALA A 352
THR A 378
ILE A 359
 None
 0.91A 5eeyA-3iwkA:
undetectable
5eeyB-3iwkA:
undetectable		 5eeyA-3iwkA:
10.34
5eeyB-3iwkA:
10.34
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.
5EEZ_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		5 / 10 GLY A 396
GLY A 363
ALA A 352
THR A 378
ILE A 359
 None
 0.91A 5eezA-3iwkA:
undetectable
5eezB-3iwkA:
undetectable		 5eezA-3iwkA:
10.34
5eezB-3iwkA:
10.34
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.
5EF0_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		5 / 10 GLY A 396
GLY A 363
ALA A 352
THR A 378
ILE A 359
 None
 0.91A 5ef0A-3iwkA:
undetectable
5ef0B-3iwkA:
undetectable		 5ef0A-3iwkA:
10.34
5ef0B-3iwkA:
10.34
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.
5EF1_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		5 / 10 GLY A 396
GLY A 363
ALA A 352
THR A 378
ILE A 359
 None
 0.91A 5ef1A-3iwkA:
undetectable
5ef1B-3iwkA:
undetectable		 5ef1A-3iwkA:
10.34
5ef1B-3iwkA:
10.34
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.
5EF2_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		5 / 10 GLY A 396
GLY A 363
ALA A 352
THR A 378
ILE A 359
 None
 0.91A 5ef2A-3iwkA:
undetectable
5ef2B-3iwkA:
undetectable		 5ef2A-3iwkA:
10.34
5ef2B-3iwkA:
10.34
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.
5EF3_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		5 / 10 GLY A 396
GLY A 363
ALA A 352
THR A 378
ILE A 359
 None
 0.91A 5ef3A-3iwkA:
undetectable
5ef3B-3iwkA:
undetectable		 5ef3A-3iwkA:
10.34
5ef3B-3iwkA:
10.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5FHZ_D_READ602_1
(ALDEHYDE
DEHYDROGENASE FAMILY
1 MEMBER A3)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		5 / 12 ASN A 162
MET A 167
TRP A 170
GLU A 260
CYH A 294
 NAD  A 505 ( 4.8A)
None
None
None
NAD  A 505 (-3.0A)
 1.03A 5fhzD-3iwkA:
55.6		 5fhzD-3iwkA:
39.73
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.
5HNZ_B_TA1B902_1
(TUBULIN BETA-2B
CHAIN)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		5 / 12 VAL A 155
ASP A 232
LEU A 206
ALA A 175
PRO A 151
 None
 1.10A 5hnzB-3iwkA:
undetectable		 5hnzB-3iwkA:
22.93
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.
5HWA_A_GCSA303_1
(CHITOSANASE)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		4 / 5 HIS A 228
VAL A 214
GLY A 222
ALA A 221
 None
None
NAD  A 505 (-3.8A)
None
 0.94A 5hwaA-3iwkA:
undetectable		 5hwaA-3iwkA:
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.
5KBW_A_RBFA201_1
(RIBOFLAVIN
TRANSPORTER RIBU)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		5 / 12 LEU A 124
ASP A 129
GLY A  71
LEU A  78
ALA A 173
 None
 1.13A 5kbwA-3iwkA:
undetectable		 5kbwA-3iwkA:
17.35
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.
5L4I_A_6J3A201_0
(TRANSTHYRETIN)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		4 / 6 LEU A 184
LEU A 157
SER A 235
THR A 237
 None
 0.75A 5l4iA-3iwkA:
undetectable		 5l4iA-3iwkA:
13.12
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.
5ND2_B_TA1B601_1
(TUBULIN BETA-2B
CHAIN)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		5 / 12 VAL A 155
ASP A 232
LEU A 206
ALA A 175
PRO A 151
 None
 1.17A 5nd2B-3iwkA:
2.5		 5nd2B-3iwkA:
22.93
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.
5YCP_A_BRLA501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		3 / 3 GLY A 285
VAL A 269
MET A 426
 None
 0.63A 5ycpA-3iwkA:
undetectable		 5ycpA-3iwkA:
10.98
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.
6BP4_B_SAMB505_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-9 SPECIFIC)		 3iwk AMINOALDEHYDE
DEHYDROGENASE
(Pisum
sativum) 		5 / 12 LYS A 245
GLY A 243
ILE A 158
HIS A 219
GLY A 222
 NAD  A 505 (-2.7A)
None
None
None
NAD  A 505 (-3.8A)
 1.20A 6bp4B-3iwkA:
undetectable		 6bp4B-3iwkA:
19.21