SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '5j78'

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.
1A7Y_A_DVAA8_0
(ACTINOMYCIN D)		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		3 / 3 THR A 144
THR A 146
PRO A 143
 ACT  A1005 (-3.3A)
None
ACT  A1005 (-3.9A)
 0.81A 1a7yA-5j78A:
undetectable		 1a7yA-5j78A:
2.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1A7Y_B_DVAB2_0
(ACTINOMYCIN D)		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		3 / 3 THR A 146
PRO A 143
THR A 144
 None
ACT  A1005 (-3.9A)
ACT  A1005 (-3.3A)
 0.72A 1a7yB-5j78A:
undetectable		 1a7yB-5j78A:
2.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DSC_C_DVAC2_0
(ACTINOMYCIN D)		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		3 / 3 THR A 146
PRO A 143
THR A 144
 None
ACT  A1005 (-3.9A)
ACT  A1005 (-3.3A)
 0.79A 1dscC-5j78A:
undetectable		 1dscC-5j78A:
2.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DSC_C_DVAC8_0
(ACTINOMYCIN D)		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		3 / 3 THR A 144
THR A 146
PRO A 143
 ACT  A1005 (-3.3A)
None
ACT  A1005 (-3.9A)
 0.62A 1dscC-5j78A:
undetectable		 1dscC-5j78A:
2.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FJA_C_DVAC8_0
(ACTINOMYCIN D)		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		3 / 3 THR A 144
THR A 146
PRO A 143
 ACT  A1005 (-3.3A)
None
ACT  A1005 (-3.9A)
 0.75A 1fjaC-5j78A:
undetectable		 1fjaC-5j78A:
2.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FJA_D_DVAD8_0
(ACTINOMYCIN D)		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		3 / 3 THR A 144
THR A 146
PRO A 143
 ACT  A1005 (-3.3A)
None
ACT  A1005 (-3.9A)
 0.75A 1fjaD-5j78A:
undetectable		 1fjaD-5j78A:
2.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1I3W_E_DVAE2_0
(ACTINOMYCIN D)		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		3 / 3 THR A 146
PRO A 143
THR A 144
 None
ACT  A1005 (-3.9A)
ACT  A1005 (-3.3A)
 0.86A 1i3wE-5j78A:
undetectable		 1i3wE-5j78A:
2.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1I3W_E_DVAE8_0
(ACTINOMYCIN D)		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		3 / 3 THR A 144
THR A 146
PRO A 143
 ACT  A1005 (-3.3A)
None
ACT  A1005 (-3.9A)
 0.76A 1i3wE-5j78A:
undetectable		 1i3wE-5j78A:
2.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1I3W_F_DVAF8_0
(ACTINOMYCIN D)		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		3 / 3 THR A 144
THR A 146
PRO A 143
 ACT  A1005 (-3.3A)
None
ACT  A1005 (-3.9A)
 0.78A 1i3wF-5j78A:
undetectable		 1i3wF-5j78A:
2.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1I3W_G_DVAG2_0
(ACTINOMYCIN D)		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		3 / 3 THR A 146
PRO A 143
THR A 144
 None
ACT  A1005 (-3.9A)
ACT  A1005 (-3.3A)
 0.82A 1i3wG-5j78A:
undetectable		 1i3wG-5j78A:
2.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1I3W_G_DVAG8_0
(ACTINOMYCIN D)		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		3 / 3 THR A 144
THR A 146
PRO A 143
 ACT  A1005 (-3.3A)
None
ACT  A1005 (-3.9A)
 0.73A 1i3wG-5j78A:
undetectable		 1i3wG-5j78A:
2.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1I3W_H_DVAH8_0
(ACTINOMYCIN D)		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		3 / 3 THR A 144
THR A 146
PRO A 143
 ACT  A1005 (-3.3A)
None
ACT  A1005 (-3.9A)
 0.74A 1i3wH-5j78A:
undetectable		 1i3wH-5j78A:
2.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JIN_A_KTNA801_1
(CYTOCHROME P450
107A1)		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		5 / 11 PHE A 267
LEU A 279
ALA A 369
ALA A 348
LEU A 345
 None
 1.05A 1jinA-5j78A:
undetectable		 1jinA-5j78A:
22.67
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.
1MNV_D_DVAD2_0
(ACTINOMYCIN D)		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		3 / 3 THR A 146
PRO A 143
THR A 144
 None
ACT  A1005 (-3.9A)
ACT  A1005 (-3.3A)
 0.75A 1mnvD-5j78A:
undetectable		 1mnvD-5j78A:
2.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MNV_D_DVAD8_0
(ACTINOMYCIN D)		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		3 / 3 THR A 144
THR A 146
PRO A 143
 ACT  A1005 (-3.3A)
None
ACT  A1005 (-3.9A)
 0.70A 1mnvD-5j78A:
undetectable		 1mnvD-5j78A:
2.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1N2X_A_SAMA401_0
(S-ADENOSYL-METHYLTRA
NSFERASE MRAW)		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		5 / 12 HIS A 394
THR A 440
GLY A 442
GLY A 240
ASP A 453
 ACT  A1001 (-4.4A)
None
None
None
GOL  A1010 (-4.1A)
 1.32A 1n2xA-5j78A:
3.3		 1n2xA-5j78A:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OVF_B_DVAB2_0
(ACTINOMYCIN D)		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		3 / 3 THR A 146
PRO A 143
THR A 144
 None
ACT  A1005 (-3.9A)
ACT  A1005 (-3.3A)
 0.85A 1ovfB-5j78A:
undetectable		 1ovfB-5j78A:
2.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		4 / 8 MET A 180
ALA A 100
ILE A 148
ASN A 101
 None
None
None
GOL  A1008 (-3.4A)
 1.14A 1pnlA-5j78A:
1.1
1pnlB-5j78A:
undetectable		 1pnlA-5j78A:
16.60
1pnlB-5j78A:
21.94
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.
1QFI_A_DVAA8_0
(ACTINOMYCIN X2)		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		3 / 3 THR A 144
THR A 146
PRO A 143
 ACT  A1005 (-3.3A)
None
ACT  A1005 (-3.9A)
 0.79A 1qfiA-5j78A:
undetectable		 1qfiA-5j78A:
2.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UNJ_F_DVAF2_0
(7-AMINO-ACTINOMYCIN
D)		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		3 / 3 THR A 146
PRO A 143
THR A 144
 None
ACT  A1005 (-3.9A)
ACT  A1005 (-3.3A)
 0.78A 1unjF-5j78A:
undetectable		 1unjF-5j78A:
2.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UNJ_F_DVAF8_0
(7-AMINO-ACTINOMYCIN
D)		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		3 / 3 THR A 144
THR A 146
PRO A 143
 ACT  A1005 (-3.3A)
None
ACT  A1005 (-3.9A)
 0.83A 1unjF-5j78A:
undetectable		 1unjF-5j78A:
2.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UNJ_L_DVAL2_0
(7-AMINO-ACTINOMYCIN
D)		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		3 / 3 THR A 146
PRO A 143
THR A 144
 None
ACT  A1005 (-3.9A)
ACT  A1005 (-3.3A)
 0.75A 1unjL-5j78A:
undetectable		 1unjL-5j78A:
2.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UNJ_L_DVAL8_0
(7-AMINO-ACTINOMYCIN
D)		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		3 / 3 THR A 144
THR A 146
PRO A 143
 ACT  A1005 (-3.3A)
None
ACT  A1005 (-3.9A)
 0.72A 1unjL-5j78A:
undetectable		 1unjL-5j78A:
2.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UNJ_R_DVAR2_0
(7-AMINO-ACTINOMYCIN
D)		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		3 / 3 THR A 146
PRO A 143
THR A 144
 None
ACT  A1005 (-3.9A)
ACT  A1005 (-3.3A)
 0.71A 1unjR-5j78A:
undetectable		 1unjR-5j78A:
2.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UNJ_R_DVAR8_0
(7-AMINO-ACTINOMYCIN
D)		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		3 / 3 THR A 144
THR A 146
PRO A 143
 ACT  A1005 (-3.3A)
None
ACT  A1005 (-3.9A)
 0.72A 1unjR-5j78A:
undetectable		 1unjR-5j78A:
2.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UNJ_W_DVAW8_0
(7-AMINO-ACTINOMYCIN
D)		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		3 / 3 THR A 144
THR A 146
PRO A 143
 ACT  A1005 (-3.3A)
None
ACT  A1005 (-3.9A)
 0.72A 1unjW-5j78A:
undetectable		 1unjW-5j78A:
2.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UNJ_X_DVAX2_0
(7-AMINO-ACTINOMYCIN
D)		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		3 / 3 THR A 146
PRO A 143
THR A 144
 None
ACT  A1005 (-3.9A)
ACT  A1005 (-3.3A)
 0.71A 1unjX-5j78A:
undetectable		 1unjX-5j78A:
2.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UNJ_X_DVAX8_0
(7-AMINO-ACTINOMYCIN
D)		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		3 / 3 THR A 144
THR A 146
PRO A 143
 ACT  A1005 (-3.3A)
None
ACT  A1005 (-3.9A)
 0.74A 1unjX-5j78A:
undetectable		 1unjX-5j78A:
2.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UNM_E_DVAE2_0
(7-AMINOACTINOMYCIN D)		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		3 / 3 THR A 146
PRO A 143
THR A 144
 None
ACT  A1005 (-3.9A)
ACT  A1005 (-3.3A)
 0.74A 1unmE-5j78A:
undetectable		 1unmE-5j78A:
2.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UNM_E_DVAE8_0
(7-AMINOACTINOMYCIN D)		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		3 / 3 THR A 144
THR A 146
PRO A 143
 ACT  A1005 (-3.3A)
None
ACT  A1005 (-3.9A)
 0.74A 1unmE-5j78A:
undetectable		 1unmE-5j78A:
2.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UNM_F_DVAF2_0
(7-AMINOACTINOMYCIN D)		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		3 / 3 THR A 146
PRO A 143
THR A 144
 None
ACT  A1005 (-3.9A)
ACT  A1005 (-3.3A)
 0.76A 1unmF-5j78A:
undetectable		 1unmF-5j78A:
2.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UNM_F_DVAF8_0
(7-AMINOACTINOMYCIN D)		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		3 / 3 THR A 144
THR A 146
PRO A 143
 ACT  A1005 (-3.3A)
None
ACT  A1005 (-3.9A)
 0.71A 1unmF-5j78A:
undetectable		 1unmF-5j78A:
2.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1WG8_A_SAMA3142_0
(PREDICTED
S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		5 / 12 THR A 451
GLY A 444
GLY A 447
GLY A 240
ARG A 417
 GOL  A1010 (-3.4A)
None
None
None
None
 1.19A 1wg8A-5j78A:
4.0		 1wg8A-5j78A:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
209D_C_DVAC8_0
(N8-ACTINOMYCIN D)		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		3 / 3 THR A 144
THR A 146
PRO A 143
 ACT  A1005 (-3.3A)
None
ACT  A1005 (-3.9A)
 0.86A 209dC-5j78A:
undetectable		 209dC-5j78A:
2.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2I30_A_SALA1200_1
(SERUM ALBUMIN)		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		4 / 4 LEU A 301
ILE A 367
ILE A 331
ALA A 332
 None
 0.88A 2i30A-5j78A:
undetectable		 2i30A-5j78A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
316D_C_DVAC2_0
(8-FLUORO-ACTINOMYCIN
D)		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		3 / 3 THR A 146
PRO A 143
THR A 144
 None
ACT  A1005 (-3.9A)
ACT  A1005 (-3.3A)
 0.81A 316dC-5j78A:
undetectable		 316dC-5j78A:
2.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DTU_C_DXCC576_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		4 / 8 PRO A 328
ALA A 332
ALA A 335
ILE A 339
 None
 0.56A 3dtuC-5j78A:
undetectable
3dtuD-5j78A:
undetectable		 3dtuC-5j78A:
21.93
3dtuD-5j78A:
19.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KK6_A_CELA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		5 / 12 GLN A 277
VAL A 324
LEU A 364
ILE A 272
SER A 140
 None
GOL  A1003 ( 4.7A)
GOL  A1002 (-4.4A)
ACT  A1001 (-4.4A)
GOL  A1003 (-2.1A)
 1.11A 3kk6A-5j78A:
undetectable		 3kk6A-5j78A:
21.52
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.
3LBD_A_9CRA424_1
(RETINOIC ACID
RECEPTOR GAMMA)		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		5 / 12 ALA A 135
ILE A 197
SER A 195
ALA A 228
ILE A 217
 None
 1.28A 3lbdA-5j78A:
undetectable		 3lbdA-5j78A:
23.57
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.
3LM8_B_VIBB223_1
(THIAMINE
PYROPHOSPHOKINASE)		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		4 / 7 TYR A  39
LEU A  40
LEU A 208
SER A  32
 None
 1.04A 3lm8B-5j78A:
3.3
3lm8D-5j78A:
4.6		 3lm8B-5j78A:
19.26
3lm8D-5j78A:
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.
3ME6_C_CGEC501_1
(CYTOCHROME P450 2B4)		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		5 / 9 VAL A 281
PHE A 370
ILE A 285
ALA A 291
VAL A 258
 None
 1.11A 3me6C-5j78A:
undetectable		 3me6C-5j78A:
20.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_D_CGED501_1
(CYTOCHROME P450 2B4)		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		5 / 9 VAL A 281
PHE A 370
ILE A 285
ALA A 291
VAL A 258
 None
 1.12A 3me6D-5j78A:
undetectable		 3me6D-5j78A:
20.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3V_A_TOPA187_1
(DIHYDROFOLATE
REDUCTASE)		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		6 / 12 ILE A 372
PHE A 370
ILE A 261
LEU A 293
VAL A 281
THR A 351
 None
 1.44A 3s3vA-5j78A:
undetectable		 3s3vA-5j78A:
16.56
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.
3UQ6_A_ADNA401_2
(ADENOSINE KINASE,
PUTATIVE)		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		4 / 5 LEU A 346
ALA A 348
PHE A 359
ASN A 302
 None
 1.36A 3uq6A-5j78A:
undetectable		 3uq6A-5j78A:
26.47
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.
3VAQ_A_ADNA401_2
(PUTATIVE ADENOSINE
KINASE)		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		4 / 4 LEU A 346
ALA A 348
PHE A 359
ASN A 302
 None
 1.34A 3vaqA-5j78A:
3.5		 3vaqA-5j78A:
26.47
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.
3VAS_A_ADNA401_2
(PUTATIVE ADENOSINE
KINASE)		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		4 / 4 LEU A 346
ALA A 348
PHE A 359
ASN A 302
 None
 1.35A 3vasA-5j78A:
undetectable		 3vasA-5j78A:
26.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A97_I_ZPCI1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		4 / 7 PHE A 359
VAL A 309
ILE A 337
GLU A 350
 None
 1.09A 4a97H-5j78A:
undetectable		 4a97H-5j78A:
19.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G0V_A_MIXA1301_1
(DNA TOPOISOMERASE
2-BETA)		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		4 / 7 GLY A 270
ILE A 272
ASN A 142
MET A 334
 None
ACT  A1001 (-4.4A)
ACT  A1001 (-3.9A)
None
 1.03A 4g0vA-5j78A:
undetectable		 4g0vA-5j78A:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HIV_D_DVAD2_0
(ACTINOMYCIN D)		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		3 / 3 THR A 146
PRO A 143
THR A 144
 None
ACT  A1005 (-3.9A)
ACT  A1005 (-3.3A)
 0.75A 4hivD-5j78A:
undetectable		 4hivD-5j78A:
2.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LTW_A_STRA301_2
(ANCESTRAL STEROID
RECEPTOR 2)		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		4 / 8 MET A 180
ALA A 177
THR A 440
VAL A 455
 None
 0.99A 4ltwA-5j78A:
undetectable		 4ltwA-5j78A:
18.85
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.
4OQR_A_2UOA502_1
(CYP105AS1)		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		5 / 9 VAL A 373
ILE A 406
VAL A 405
ALA A 408
ALA A 379
 None
 1.33A 4oqrA-5j78A:
undetectable		 4oqrA-5j78A:
25.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UW0_A_SAMA1506_0
(WBDD)		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		6 / 12 GLY A 427
ALA A 422
PHE A 426
GLN A 263
ILE A 429
ILE A 272
 None
None
None
None
ACT  A1001 ( 4.4A)
ACT  A1001 (-4.4A)
 1.50A 4uw0A-5j78A:
4.2		 4uw0A-5j78A:
19.56
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.
5HFJ_C_SAMC301_0
(ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA))		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		5 / 12 ALA A 415
PRO A 245
LYS A 363
GLY A 390
GLU A 388
 None
 1.19A 5hfjC-5j78A:
2.4		 5hfjC-5j78A:
18.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HFJ_G_SAMG301_0
(ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA))		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		5 / 12 ALA A 415
PRO A 245
LYS A 363
GLY A 390
GLU A 388
 None
 1.10A 5hfjG-5j78A:
2.6		 5hfjG-5j78A:
18.74
Potential target for repurposing, i.e. matched protein structure has less than 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_A_7V7A202_1
(ENDO-1,4-BETA-XYLANA
SE A)		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		5 / 12 SER A 164
VAL A 162
PRO A 200
ALA A 135
GLY A 136
 None
 1.39A 5tzoA-5j78A:
undetectable		 5tzoA-5j78A:
16.85
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.
5TZO_C_7V7C201_1
(ENDO-1,4-BETA-XYLANA
SE A)		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		5 / 12 SER A 164
VAL A 162
PRO A 200
ALA A 135
GLY A 136
 None
 1.26A 5tzoC-5j78A:
undetectable		 5tzoC-5j78A:
16.85
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.
5X80_A_SALA201_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		4 / 5 VAL A 330
PRO A 366
GLY A 325
TYR A 269
 None
 1.09A 5x80A-5j78A:
0.5
5x80B-5j78A:
0.7		 5x80A-5j78A:
17.42
5x80B-5j78A:
17.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X80_D_SALD201_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		4 / 5 PRO A 366
GLY A 325
TYR A 269
VAL A 330
 None
 1.06A 5x80C-5j78A:
undetectable
5x80D-5j78A:
0.8		 5x80C-5j78A:
17.42
5x80D-5j78A:
17.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XIW_D_LOCD503_1
(TUBULIN ALPHA-1B
CHAIN
TUBULIN BETA CHAIN)		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		3 / 3 SER A 164
ALA A 135
VAL A 134
 None
 0.55A 5xiwC-5j78A:
undetectable		 5xiwC-5j78A:
9.24
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.
6AYC_A_1YNA502_1
(PROTEIN CYP51)		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		5 / 12 ALA A 229
PHE A 149
PHE A  98
ALA A 431
THR A 395
 None
None
GOL  A1008 (-4.4A)
GOL  A1007 (-2.9A)
None
 1.37A 6aycA-5j78A:
undetectable		 6aycA-5j78A:
10.04