SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1o0s'

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.
1HO5_A_ADNA1604_1
(5'-NUCLEOTIDASE)		 1o0s NAD-DEPENDENT MALIC
ENZYME
(Ascaris
suum) 		5 / 11 ILE A 531
ASN A 479
GLY A 485
GLY A 207
PHE A 483
 None
NAI  A 920 ( 4.6A)
None
None
None
 1.44A 1ho5A-1o0sA:
undetectable		 1ho5A-1o0sA:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MX1_D_THAD4_2
(LIVER
CARBOXYLESTERASE I)		 1o0s NAD-DEPENDENT MALIC
ENZYME
(Ascaris
suum) 		3 / 3 PHE A 430
LEU A 307
MET A 338
 None
 0.80A 1mx1D-1o0sA:
undetectable		 1mx1D-1o0sA:
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.
2AOU_B_CQAB401_0
(HISTAMINE
N-METHYLTRANSFERASE)		 1o0s NAD-DEPENDENT MALIC
ENZYME
(Ascaris
suum) 		4 / 7 GLY A 475
PRO A 463
TYR A 456
THR A 436
 None
 0.97A 2aouB-1o0sA:
4.2		 2aouB-1o0sA:
17.87
Potential target for repurposing, i.e. matched protein structure has less than 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_SALA1100_1
(SERUM ALBUMIN)		 1o0s NAD-DEPENDENT MALIC
ENZYME
(Ascaris
suum) 		4 / 6 HIS A 167
ARG A 142
GLY A 146
LYS A 145
 None
 1.47A 2i30A-1o0sA:
0.0		 2i30A-1o0sA:
23.52
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.
2QWX_B_ML1B233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 1o0s NAD-DEPENDENT MALIC
ENZYME
(Ascaris
suum) 		4 / 7 GLY A 208
GLY A 198
GLN A 103
PHE A 110
 None
 0.98A 2qwxA-1o0sA:
3.7
2qwxB-1o0sA:
undetectable		 2qwxA-1o0sA:
16.83
2qwxB-1o0sA:
16.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Z71_A_PNVA903_1
(PENICILLIN ACYLASE)		 1o0s NAD-DEPENDENT MALIC
ENZYME
(Ascaris
suum) 		5 / 10 THR A 177
ASN A 224
ARG A 243
ASP A 178
GLY A 222
 None
 1.39A 2z71A-1o0sA:
0.0
2z71C-1o0sA:
0.0		 2z71A-1o0sA:
20.73
2z71C-1o0sA:
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.
3D4S_A_TIMA401_1
(BETA-2 ADRENERGIC
RECEPTOR/T4-LYSOZYME
CHIMERA)		 1o0s NAD-DEPENDENT MALIC
ENZYME
(Ascaris
suum) 		5 / 12 THR A 177
ASP A 178
ASN A 275
ASN A 277
TYR A 247
 None
None
NAI  A 920 (-3.1A)
None
None
 1.24A 3d4sA-1o0sA:
undetectable		 3d4sA-1o0sA:
20.93
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.
3FPJ_A_SAMA301_0
(PUTATIVE
UNCHARACTERIZED
PROTEIN)		 1o0s NAD-DEPENDENT MALIC
ENZYME
(Ascaris
suum) 		5 / 12 PHE A 483
ILE A 482
ILE A 303
ALA A 480
VAL A 510
 None
 0.94A 3fpjA-1o0sA:
2.3		 3fpjA-1o0sA:
16.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FRQ_A_ERYA195_1
(REPRESSOR PROTEIN
MPHR(A))		 1o0s NAD-DEPENDENT MALIC
ENZYME
(Ascaris
suum) 		4 / 5 ASN A 275
ASN A 374
HIS A 377
ALA A 328
 NAI  A 920 (-3.1A)
None
None
NAI  A 920 (-3.9A)
 1.45A 3frqA-1o0sA:
undetectable		 3frqA-1o0sA:
16.14
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.
3OU6_C_SAMC300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 1o0s NAD-DEPENDENT MALIC
ENZYME
(Ascaris
suum) 		5 / 12 GLY A 327
SER A 406
ASP A 361
LEU A 359
ALA A 401
 NAI  A 920 (-3.5A)
NAI  A 920 ( 4.7A)
NAI  A 920 (-4.5A)
None
None
 1.28A 3ou6C-1o0sA:
undetectable		 3ou6C-1o0sA:
16.92
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.
3QOW_A_SAMA417_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE)		 1o0s NAD-DEPENDENT MALIC
ENZYME
(Ascaris
suum) 		3 / 3 THR A 572
ASP A 116
GLU A  76
 None
 0.77A 3qowA-1o0sA:
3.9		 3qowA-1o0sA:
22.35
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.
3U9H_A_NCAA1163_0
(TANKYRASE-2)		 1o0s NAD-DEPENDENT MALIC
ENZYME
(Ascaris
suum) 		4 / 8 GLY A 298
TYR A 481
ALA A 507
SER A 301
 None
 0.72A 3u9hA-1o0sA:
undetectable		 3u9hA-1o0sA:
17.85
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.
3U9H_B_NCAB1164_0
(TANKYRASE-2)		 1o0s NAD-DEPENDENT MALIC
ENZYME
(Ascaris
suum) 		4 / 8 GLY A 298
TYR A 481
ALA A 507
SER A 301
 None
 0.77A 3u9hB-1o0sA:
undetectable		 3u9hB-1o0sA:
17.85
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.
3UQB_A_FK5A114_1
(UBIQUITIN-LIKE
PROTEIN SMT3,
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 1o0s NAD-DEPENDENT MALIC
ENZYME
(Ascaris
suum) 		4 / 8 VAL A 340
ILE A 339
ILE A 303
PHE A 325
 None
 0.85A 3uqbA-1o0sA:
undetectable		 3uqbA-1o0sA:
15.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VQR_A_ACTA1002_0
(PUTATIVE
OXIDOREDUCTASE)		 1o0s NAD-DEPENDENT MALIC
ENZYME
(Ascaris
suum) 		4 / 6 ASP A 178
GLY A 222
VAL A 221
ASP A 220
 None
 1.21A 3vqrA-1o0sA:
undetectable		 3vqrA-1o0sA:
22.95
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.
3VQR_B_ACTB1002_0
(PUTATIVE
OXIDOREDUCTASE)		 1o0s NAD-DEPENDENT MALIC
ENZYME
(Ascaris
suum) 		4 / 5 ASP A 178
GLY A 222
VAL A 221
ASP A 220
 None
 1.20A 3vqrB-1o0sA:
undetectable		 3vqrB-1o0sA:
22.95
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.
4A79_A_P1BA601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)		 1o0s NAD-DEPENDENT MALIC
ENZYME
(Ascaris
suum) 		5 / 12 LEU A 359
ILE A 335
ILE A 357
TYR A 323
TYR A 525
 None
 1.42A 4a79A-1o0sA:
0.0		 4a79A-1o0sA:
23.74
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.
4A79_B_P1BB601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)		 1o0s NAD-DEPENDENT MALIC
ENZYME
(Ascaris
suum) 		5 / 12 LEU A 359
ILE A 335
ILE A 357
TYR A 323
TYR A 525
 None
 1.38A 4a79B-1o0sA:
0.0		 4a79B-1o0sA:
23.74
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.
4A7A_A_RGZA601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)		 1o0s NAD-DEPENDENT MALIC
ENZYME
(Ascaris
suum) 		5 / 11 LEU A 359
ILE A 335
ILE A 357
TYR A 323
TYR A 525
 None
 1.38A 4a7aA-1o0sA:
0.0		 4a7aA-1o0sA:
23.74
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		 1o0s NAD-DEPENDENT MALIC
ENZYME
(Ascaris
suum) 		4 / 8 GLY A 298
TYR A 481
ALA A 507
SER A 301
 None
 0.69A 4bjcA-1o0sA:
undetectable		 4bjcA-1o0sA:
17.85
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.
4DRH_A_RAPA201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5)		 1o0s NAD-DEPENDENT MALIC
ENZYME
(Ascaris
suum) 		5 / 12 GLN A 344
VAL A 340
ILE A 339
ILE A 303
PHE A 325
 None
 1.26A 4drhA-1o0sA:
undetectable		 4drhA-1o0sA:
13.37
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.
4DRI_A_RAPA201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5)		 1o0s NAD-DEPENDENT MALIC
ENZYME
(Ascaris
suum) 		6 / 11 ARG A 376
GLN A 344
VAL A 340
ILE A 339
ILE A 303
PHE A 325
 None
 1.35A 4driA-1o0sA:
undetectable		 4driA-1o0sA:
13.37
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.
4FGZ_B_CQAB301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		 1o0s NAD-DEPENDENT MALIC
ENZYME
(Ascaris
suum) 		4 / 8 GLY A 131
GLY A 192
TYR A 148
VAL A 197
 None
 0.77A 4fgzB-1o0sA:
3.7		 4fgzB-1o0sA:
17.00
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.
4HYF_A_NCAA1201_0
(TANKYRASE-2)		 1o0s NAD-DEPENDENT MALIC
ENZYME
(Ascaris
suum) 		4 / 7 GLY A 298
TYR A 481
ALA A 507
SER A 301
 None
 0.75A 4hyfA-1o0sA:
undetectable		 4hyfA-1o0sA:
17.85
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.
4HYF_B_NCAB1201_0
(TANKYRASE-2)		 1o0s NAD-DEPENDENT MALIC
ENZYME
(Ascaris
suum) 		4 / 8 GLY A 298
TYR A 481
ALA A 507
SER A 301
 None
 0.77A 4hyfB-1o0sA:
undetectable		 4hyfB-1o0sA:
17.85
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.
4HYF_C_NCAC1201_0
(TANKYRASE-2)		 1o0s NAD-DEPENDENT MALIC
ENZYME
(Ascaris
suum) 		4 / 8 GLY A 298
TYR A 481
ALA A 507
SER A 301
 None
 0.75A 4hyfC-1o0sA:
undetectable		 4hyfC-1o0sA:
17.85
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.
4Y0Q_A_PX9A201_1
(BETA-LACTOGLOBULIN)		 1o0s NAD-DEPENDENT MALIC
ENZYME
(Ascaris
suum) 		3 / 3 LYS A 199
ILE A 195
ILE A 182
 None
 0.58A 4y0qA-1o0sA:
undetectable		 4y0qA-1o0sA:
13.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZZC_E_ACTE406_0
(PROTON-GATED ION
CHANNEL)		 1o0s NAD-DEPENDENT MALIC
ENZYME
(Ascaris
suum) 		4 / 5 ILE A 335
ILE A 296
ARG A 376
GLU A 337
 None
 1.19A 4zzcE-1o0sA:
2.0		 4zzcE-1o0sA:
19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KC4_A_RBFA201_1
(RIBOFLAVIN
TRANSPORTER RIBU)		 1o0s NAD-DEPENDENT MALIC
ENZYME
(Ascaris
suum) 		5 / 12 GLU A 271
GLY A 298
ASN A 293
ALA A 330
ASN A 275
 None
None
None
NAI  A 920 (-3.5A)
NAI  A 920 (-3.1A)
 1.06A 5kc4A-1o0sA:
0.0		 5kc4A-1o0sA:
16.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KI6_A_IPHA903_0
(PROTEIN ARGONAUTE-2)		 1o0s NAD-DEPENDENT MALIC
ENZYME
(Ascaris
suum) 		4 / 5 ARG A 172
CYH A 214
GLN A 210
ILE A 491
 None
 1.29A 5ki6A-1o0sA:
5.2		 5ki6A-1o0sA:
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.
5X66_C_MTXC402_1
(THYMIDYLATE SYNTHASE)		 1o0s NAD-DEPENDENT MALIC
ENZYME
(Ascaris
suum) 		5 / 9 ILE A 390
GLY A 404
PHE A 326
TYR A 456
ALA A 446
 None
None
NAI  A 920 (-3.8A)
None
None
 1.43A 5x66C-1o0sA:
undetectable		 5x66C-1o0sA:
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.
5X66_D_MTXD402_1
(THYMIDYLATE SYNTHASE)		 1o0s NAD-DEPENDENT MALIC
ENZYME
(Ascaris
suum) 		5 / 10 ILE A 390
GLY A 404
PHE A 326
TYR A 456
ALA A 446
 None
None
NAI  A 920 (-3.8A)
None
None
 1.45A 5x66D-1o0sA:
undetectable		 5x66D-1o0sA:
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.
5YW0_A_ACTA411_0
(UNCHARACTERIZED
PROTEIN KDOO)		 1o0s NAD-DEPENDENT MALIC
ENZYME
(Ascaris
suum) 		3 / 3 LYS A 284
LEU A 281
ARG A 280
 None
 0.86A 5yw0A-1o0sA:
undetectable		 5yw0A-1o0sA:
20.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6F6J_A_ACTA404_0
(L-LYSINE
3-HYDROXYLASE)		 1o0s NAD-DEPENDENT MALIC
ENZYME
(Ascaris
suum) 		4 / 6 ILE A 195
TYR A 126
LEU A 183
ARG A 181
 None
None
NAI  A 920 (-4.7A)
NAI  A 920 (-2.9A)
 1.14A 6f6jA-1o0sA:
undetectable		 6f6jA-1o0sA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GIQ_I_PCFI101_0
(CYTOCHROME B-C1
COMPLEX SUBUNIT 1,
MITOCHONDRIAL
CYTOCHROME B-C1
COMPLEX SUBUNIT 9
CYTOCHROME B-C1
COMPLEX SUBUNIT
RIESKE,
MITOCHONDRIAL)		 1o0s NAD-DEPENDENT MALIC
ENZYME
(Ascaris
suum) 		5 / 9 ASP A 231
TYR A 191
GLY A 131
ASN A 225
ILE A 182
 None
 1.39A 6giqA-1o0sA:
1.0
6giqE-1o0sA:
0.0
6giqI-1o0sA:
0.0		 6giqA-1o0sA:
21.93
6giqE-1o0sA:
15.69
6giqI-1o0sA:
7.60