SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3ros'

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.
1DED_A_QPSA2001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 3ros NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE
(Lactobacillus
acidophilus) 		4 / 6 TRP A 418
GLY A 260
ASN A 132
PRO A 364
 None
 1.16A 1dedA-3rosA:
undetectable		 1dedA-3rosA:
20.73
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.
1GTN_V_TRPV81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 3ros NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE
(Lactobacillus
acidophilus) 		5 / 12 GLY A 410
THR A 412
ALA A 235
ALA A 381
ILE A 378
 None
 1.03A 1gtnL-3rosA:
undetectable
1gtnV-3rosA:
undetectable		 1gtnL-3rosA:
9.47
1gtnV-3rosA:
9.47
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.
1IWH_A_PEMA501_1
(HEMOGLOBIN ALPHA
CHAIN)		 3ros NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE
(Lactobacillus
acidophilus) 		4 / 6 ALA A 316
LYS A 319
ASP A 323
ALA A 324
 None
 0.40A 1iwhA-3rosA:
undetectable		 1iwhA-3rosA:
15.21
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.
1N6C_A_SAMA402_0
(SET
DOMAIN-CONTAINING
PROTEIN 7)		 3ros NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE
(Lactobacillus
acidophilus) 		5 / 11 ILE A 350
ALA A 326
GLY A 325
ASN A 354
GLU A 367
 None
 1.19A 1n6cA-3rosA:
undetectable		 1n6cA-3rosA:
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.
1SBR_B_VIBB503_1
(YKOF)		 3ros NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE
(Lactobacillus
acidophilus) 		4 / 7 SER A 391
ILE A 397
LYS A 401
THR A 412
 None
 0.95A 1sbrB-3rosA:
undetectable		 1sbrB-3rosA:
20.23
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.
2J2P_C_SC2C1289_1
(FICOLIN-2)		 3ros NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE
(Lactobacillus
acidophilus) 		4 / 6 SER A 384
SER A 432
LEU A 388
GLY A 387
 None
 0.92A 2j2pA-3rosA:
undetectable
2j2pC-3rosA:
undetectable		 2j2pA-3rosA:
17.93
2j2pC-3rosA:
17.93
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.
2J2P_F_SC2F1289_1
(FICOLIN-2)		 3ros NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE
(Lactobacillus
acidophilus) 		4 / 6 SER A 384
SER A 432
LEU A 388
GLY A 387
 None
 0.91A 2j2pD-3rosA:
undetectable
2j2pF-3rosA:
undetectable		 2j2pD-3rosA:
17.93
2j2pF-3rosA:
17.93
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.
2QMZ_B_LDPB502_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE)		 3ros NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE
(Lactobacillus
acidophilus) 		4 / 5 GLN A 137
PHE A 426
TRP A 418
GLY A 231
 None
 1.39A 2qmzA-3rosA:
3.3
2qmzB-3rosA:
3.2		 2qmzA-3rosA:
18.56
2qmzB-3rosA:
18.56
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.
2QXS_B_RALB600_1
(ESTROGEN RECEPTOR)		 3ros NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE
(Lactobacillus
acidophilus) 		5 / 12 LEU A 443
LEU A 438
ILE A 139
LEU A  52
PRO A  45
 None
 1.13A 2qxsB-3rosA:
undetectable		 2qxsB-3rosA:
19.42
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.
2Y7H_B_SAMB530_1
(TYPE I RESTRICTION
ENZYME ECOKI M
PROTEIN)		 3ros NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE
(Lactobacillus
acidophilus) 		3 / 3 TYR A  18
GLU A  73
THR A 167
 None
 0.99A 2y7hB-3rosA:
undetectable		 2y7hB-3rosA:
22.78
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.
3AVP_A_MV2A313_1
(PANTOTHENATE KINASE)		 3ros NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE
(Lactobacillus
acidophilus) 		4 / 7 VAL A 148
LEU A 443
ILE A 125
ASN A 145
 None
 1.04A 3avpA-3rosA:
undetectable		 3avpA-3rosA:
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.
3B0W_A_DGXA1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		 3ros NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE
(Lactobacillus
acidophilus) 		5 / 12 GLN A 317
LEU A 314
CYH A 263
ALA A 310
LEU A 205
 None
 1.27A 3b0wA-3rosA:
undetectable		 3b0wA-3rosA:
20.68
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.
3QX3_D_EVPD1_1
(DNA TOPOISOMERASE
2-BETA)		 3ros NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE
(Lactobacillus
acidophilus) 		4 / 5 GLY A 232
ASP A 234
GLN A 261
MET A  74
 None
 1.35A 3qx3B-3rosA:
undetectable		 3qx3B-3rosA:
23.46
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.
3TNE_A_RITA401_2
(SECRETED ASPARTIC
PROTEASE)		 3ros NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE
(Lactobacillus
acidophilus) 		4 / 6 PRO A 295
TYR A 257
THR A 301
THR A 300
 None
 1.02A 3tneA-3rosA:
undetectable		 3tneA-3rosA:
20.20
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.
3V4T_E_ACTE503_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 3ros NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE
(Lactobacillus
acidophilus) 		3 / 3 GLN A 120
THR A 122
ASN A 448
 None
 0.89A 3v4tE-3rosA:
1.0		 3v4tE-3rosA:
24.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EM2_A_SALA503_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR SAR2349)		 3ros NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE
(Lactobacillus
acidophilus) 		4 / 6 LYS A 319
ILE A 322
VAL A 328
LEU A 347
 None
 1.06A 4em2A-3rosA:
undetectable		 4em2A-3rosA:
16.74
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.
4JLG_A_SAMA401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 3ros NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE
(Lactobacillus
acidophilus) 		5 / 12 ILE A 350
ALA A 326
GLY A 325
ASN A 354
GLU A 367
 None
 1.02A 4jlgA-3rosA:
undetectable		 4jlgA-3rosA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WS0_A_URFA301_1
(URACIL-DNA
GLYCOSYLASE)		 3ros NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE
(Lactobacillus
acidophilus) 		4 / 7 GLY A 123
GLN A 201
SER A 121
ASN A 150
 None
 1.14A 4ws0A-3rosA:
undetectable		 4ws0A-3rosA:
19.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YDQ_B_HFGB802_0
(PROLINE--TRNA LIGASE)		 3ros NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE
(Lactobacillus
acidophilus) 		5 / 12 PHE A 133
VAL A 138
THR A 206
ARG A 140
GLY A 428
 None
 1.23A 4ydqB-3rosA:
3.4		 4ydqB-3rosA:
22.45
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.
5ESG_A_1YNA701_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3ros NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE
(Lactobacillus
acidophilus) 		4 / 4 LEU A 283
TYR A 257
PRO A 364
ILE A 365
 None
 1.37A 5esgA-3rosA:
undetectable		 5esgA-3rosA:
23.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JHD_E_EDTE301_0
(BETA-2-MICROGLOBULIN
TCRBETA CHAIN)		 3ros NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE
(Lactobacillus
acidophilus) 		4 / 8 SER A 390
THR A 412
THR A 409
ILE A 237
 None
 0.97A 5jhdE-3rosA:
undetectable
5jhdG-3rosA:
undetectable		 5jhdE-3rosA:
18.48
5jhdG-3rosA:
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.
5JWA_H_ACTH614_0
(NADH DEHYDROGENASE,
PUTATIVE)		 3ros NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE
(Lactobacillus
acidophilus) 		4 / 6 ILE A 378
VAL A 392
VAL A 403
SER A 390
 None
 0.73A 5jwaH-3rosA:
2.5		 5jwaH-3rosA:
21.78
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.
5OJ0_A_9WTA801_0
(PENICILLIN-BINDING
PROTEIN 2X)		 3ros NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE
(Lactobacillus
acidophilus) 		5 / 12 SER A 384
ASN A 382
GLN A 406
SER A 432
GLY A 387
 None
 1.40A 5oj0A-3rosA:
undetectable		 5oj0A-3rosA:
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.
5Y1Y_A_HNQA201_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		 3ros NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE
(Lactobacillus
acidophilus) 		4 / 8 LEU A 438
CYH A  92
TYR A  95
ILE A 139
 None
 0.89A 5y1yA-3rosA:
undetectable		 5y1yA-3rosA:
13.79
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.
5ZRF_D_EVPD101_1
()		 3ros NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE
(Lactobacillus
acidophilus) 		4 / 5 GLY A 232
ASP A 234
GLN A 261
MET A  74
 None
 1.45A 5zrfB-3rosA:
undetectable		 5zrfB-3rosA:
23.46
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.
6J21_A_GBQA1201_0
(SUBSTANCE-P
RECEPTOR,ENDOLYSIN)		 3ros NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE
(Lactobacillus
acidophilus) 		5 / 12 ASN A 233
ILE A 270
ILE A 407
VAL A 371
PHE A 357
 None
 1.46A 6j21A-3rosA:
undetectable		 6j21A-3rosA:
22.33