SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4i3u'

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.
1JHO_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)
4i3u ALDEHYDE
DEHYDROGENASE (NAD+)

(Sinorhizobium
meliloti)
5 / 9 THR A 292
GLY A 445
GLY A 436
LEU A 414
GLY A 454
POA  A 500 (-3.0A)
POA  A 500 ( 4.9A)
None
None
None
1.20A 1jhoA-4i3uA:
undetectable
1jhoA-4i3uA:
22.65
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.
1KYV_A_RBFA501_1
(6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE)
4i3u ALDEHYDE
DEHYDROGENASE (NAD+)

(Sinorhizobium
meliloti)
5 / 12 GLY A 417
SER A 416
LEU A 433
ILE A 297
LEU A 298
None
1.10A 1kyvA-4i3uA:
3.5
1kyvE-4i3uA:
2.8
1kyvA-4i3uA:
17.21
1kyvE-4i3uA:
17.21
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.
1KYV_C_RBFC503_1
(6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE)
4i3u ALDEHYDE
DEHYDROGENASE (NAD+)

(Sinorhizobium
meliloti)
5 / 12 ILE A 297
LEU A 298
GLY A 417
SER A 416
LEU A 433
None
1.12A 1kyvB-4i3uA:
3.6
1kyvC-4i3uA:
3.6
1kyvB-4i3uA:
17.21
1kyvC-4i3uA:
17.21
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.
1KYV_D_RBFD504_1
(6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE)
4i3u ALDEHYDE
DEHYDROGENASE (NAD+)

(Sinorhizobium
meliloti)
5 / 12 ILE A 297
LEU A 298
GLY A 417
SER A 416
LEU A 433
None
1.12A 1kyvC-4i3uA:
3.6
1kyvD-4i3uA:
3.6
1kyvC-4i3uA:
17.21
1kyvD-4i3uA:
17.21
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.
1L5L_A_NIOA991_1
(NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE)
4i3u ALDEHYDE
DEHYDROGENASE (NAD+)

(Sinorhizobium
meliloti)
5 / 9 THR A 292
GLY A 445
GLY A 436
LEU A 414
GLY A 454
POA  A 500 (-3.0A)
POA  A 500 ( 4.9A)
None
None
None
1.22A 1l5lA-4i3uA:
undetectable
1l5lA-4i3uA:
22.65
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.
1L5M_A_NIOA991_1
(NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE)
4i3u ALDEHYDE
DEHYDROGENASE (NAD+)

(Sinorhizobium
meliloti)
5 / 9 THR A 292
GLY A 445
GLY A 436
LEU A 414
GLY A 454
POA  A 500 (-3.0A)
POA  A 500 ( 4.9A)
None
None
None
1.21A 1l5mA-4i3uA:
undetectable
1l5mA-4i3uA:
22.65
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.
1ONI_D_BEZD507_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)
4i3u ALDEHYDE
DEHYDROGENASE (NAD+)

(Sinorhizobium
meliloti)
4 / 7 PHE A 113
ALA A 165
ILE A 196
ILE A  87
None
0.98A 1oniD-4i3uA:
undetectable
1oniF-4i3uA:
undetectable
1oniD-4i3uA:
15.05
1oniF-4i3uA:
15.05
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.
1T3R_A_017A1200_2
(PROTEASE RETROPEPSIN)
4i3u ALDEHYDE
DEHYDROGENASE (NAD+)

(Sinorhizobium
meliloti)
5 / 11 ARG A 296
LEU A 298
VAL A 418
GLY A 432
ILE A 262
None
0.92A 1t3rB-4i3uA:
undetectable
1t3rB-4i3uA:
10.41
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.
1U72_A_MTXA188_1
(DIHYDROFOLATE
REDUCTASE)
4i3u ALDEHYDE
DEHYDROGENASE (NAD+)

(Sinorhizobium
meliloti)
5 / 12 ALA A 470
PRO A 156
ASN A 158
ARG A 108
VAL A 112
None
None
POA  A 500 (-3.5A)
POA  A 500 (-2.6A)
None
1.28A 1u72A-4i3uA:
undetectable
1u72A-4i3uA:
18.88
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.
1YA3_B_STRB2001_2
(MINERALOCORTICOID
RECEPTOR)
4i3u ALDEHYDE
DEHYDROGENASE (NAD+)

(Sinorhizobium
meliloti)
3 / 3 LEU A  73
LEU A 115
MET A 471
None
0.73A 1ya3B-4i3uA:
undetectable
1ya3B-4i3uA:
19.03
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.
2DQY_C_CHDC3_0
(LIVER
CARBOXYLESTERASE 1)
4i3u ALDEHYDE
DEHYDROGENASE (NAD+)

(Sinorhizobium
meliloti)
4 / 6 LEU A 161
LEU A 193
PRO A 182
VAL A 209
None
1.16A 2dqyC-4i3uA:
undetectable
2dqyC-4i3uA:
21.54
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.
2X9G_A_LYAA1270_2
(PTERIDINE REDUCTASE)
4i3u ALDEHYDE
DEHYDROGENASE (NAD+)

(Sinorhizobium
meliloti)
3 / 3 MET A 219
VAL A 209
GLU A 184
None
0.79A 2x9gA-4i3uA:
5.3
2x9gA-4i3uA:
21.66
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.
2YGN_A_PCFA1179_1
(WNT INHIBITORY
FACTOR 1)
4i3u ALDEHYDE
DEHYDROGENASE (NAD+)

(Sinorhizobium
meliloti)
4 / 5 ILE A  97
PHE A 387
PRO A 160
VAL A 435
None
0.84A 2ygnA-4i3uA:
undetectable
2ygnA-4i3uA:
15.42
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.
3A2Q_A_ACAA601_1
(6-AMINOHEXANOATE-CYC
LIC-DIMER HYDROLASE)
4i3u ALDEHYDE
DEHYDROGENASE (NAD+)

(Sinorhizobium
meliloti)
5 / 7 GLY A 218
ALA A  50
ALA A  47
VAL A 179
ILE A 154
None
1.17A 3a2qA-4i3uA:
undetectable
3a2qA-4i3uA:
23.32
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.
3HBB_A_TMQA611_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)
4i3u ALDEHYDE
DEHYDROGENASE (NAD+)

(Sinorhizobium
meliloti)
5 / 10 VAL A 164
ALA A 153
ILE A 151
PRO A  62
LEU A 202
None
1.14A 3hbbA-4i3uA:
undetectable
3hbbA-4i3uA:
23.53
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.
3MDT_B_VORB506_1
(CHOLESTEROL
24-HYDROXYLASE)
4i3u ALDEHYDE
DEHYDROGENASE (NAD+)

(Sinorhizobium
meliloti)
5 / 11 LEU A  73
PHE A 113
ILE A 172
ALA A 470
ALA A 171
None
1.01A 3mdtB-4i3uA:
undetectable
3mdtB-4i3uA:
23.01
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.
3OY4_B_017B200_1
(HIV-1 PROTEASE)
4i3u ALDEHYDE
DEHYDROGENASE (NAD+)

(Sinorhizobium
meliloti)
5 / 11 ARG A 296
LEU A 298
VAL A 418
GLY A 432
ILE A 262
None
0.96A 3oy4A-4i3uA:
undetectable
3oy4A-4i3uA:
10.82
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.
4EAH_F_ACTF402_0
(ACTIN, ALPHA
SKELETAL MUSCLE)
4i3u ALDEHYDE
DEHYDROGENASE (NAD+)

(Sinorhizobium
meliloti)
3 / 3 PHE A 307
ASP A 305
ARG A 395
None
0.86A 4eahF-4i3uA:
undetectable
4eahF-4i3uA:
24.35
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.
4EAH_G_ACTG401_0
(ACTIN, ALPHA
SKELETAL MUSCLE)
4i3u ALDEHYDE
DEHYDROGENASE (NAD+)

(Sinorhizobium
meliloti)
3 / 3 PHE A 307
ASP A 305
ARG A 395
None
0.86A 4eahG-4i3uA:
undetectable
4eahG-4i3uA:
24.35
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.
4J6C_A_STRA501_1
(CYTOCHROME P450
MONOOXYGENASE)
4i3u ALDEHYDE
DEHYDROGENASE (NAD+)

(Sinorhizobium
meliloti)
5 / 11 ALA A 339
ALA A 365
THR A 332
LEU A 185
GLN A 289
None
1.14A 4j6cA-4i3uA:
undetectable
4j6cA-4i3uA:
23.45
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.
4J6C_B_STRB503_1
(CYTOCHROME P450
MONOOXYGENASE)
4i3u ALDEHYDE
DEHYDROGENASE (NAD+)

(Sinorhizobium
meliloti)
5 / 10 ALA A 339
ALA A 365
THR A 332
LEU A 185
GLN A 289
None
1.15A 4j6cB-4i3uA:
undetectable
4j6cB-4i3uA:
23.45
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.
4K50_A_ACTA506_0
(RNA POLYMERASE
3D-POL)
4i3u ALDEHYDE
DEHYDROGENASE (NAD+)

(Sinorhizobium
meliloti)
3 / 3 VAL A 280
GLY A 282
LYS A 285
None
0.71A 4k50A-4i3uA:
undetectable
4k50A-4i3uA:
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.
4K50_E_ACTE504_0
(RNA POLYMERASE
3D-POL)
4i3u ALDEHYDE
DEHYDROGENASE (NAD+)

(Sinorhizobium
meliloti)
3 / 3 VAL A 280
GLY A 282
LYS A 285
None
0.78A 4k50E-4i3uA:
undetectable
4k50E-4i3uA:
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.
4K50_I_ACTI504_0
(RNA POLYMERASE
3D-POL)
4i3u ALDEHYDE
DEHYDROGENASE (NAD+)

(Sinorhizobium
meliloti)
3 / 3 VAL A 280
GLY A 282
LYS A 285
None
0.72A 4k50I-4i3uA:
undetectable
4k50I-4i3uA:
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.
4R29_D_SAMD301_1
(UNCHARACTERIZED
PROTEIN)
4i3u ALDEHYDE
DEHYDROGENASE (NAD+)

(Sinorhizobium
meliloti)
3 / 3 ARG A 108
GLU A 442
TYR A 104
POA  A 500 (-2.6A)
None
None
0.98A 4r29D-4i3uA:
undetectable
4r29D-4i3uA:
18.39
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.
4UCI_A_SAMA2409_0
(RNA-DIRECTED RNA
POLYMERASE L)
4i3u ALDEHYDE
DEHYDROGENASE (NAD+)

(Sinorhizobium
meliloti)
5 / 12 GLY A 460
GLY A 256
GLY A 257
ASN A 258
LEU A 253
None
0.98A 4uciA-4i3uA:
undetectable
4uciA-4i3uA:
21.29
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.
4UCI_B_SAMB2409_0
(RNA-DIRECTED RNA
POLYMERASE L)
4i3u ALDEHYDE
DEHYDROGENASE (NAD+)

(Sinorhizobium
meliloti)
5 / 12 GLY A 460
GLY A 256
GLY A 257
ASN A 258
LEU A 253
None
0.99A 4uciB-4i3uA:
3.0
4uciB-4i3uA:
21.29
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.
4UCK_A_SAMA2409_0
(RNA-DIRECTED RNA
POLYMERASE L)
4i3u ALDEHYDE
DEHYDROGENASE (NAD+)

(Sinorhizobium
meliloti)
5 / 12 GLY A 460
GLY A 256
GLY A 257
ASN A 258
LEU A 253
None
0.95A 4uckA-4i3uA:
2.9
4uckA-4i3uA:
21.48
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.
4X1K_D_LOCD502_2
(TUBULIN BETA CHAIN)
4i3u ALDEHYDE
DEHYDROGENASE (NAD+)

(Sinorhizobium
meliloti)
5 / 12 LEU A 202
ASN A 175
ALA A 171
VAL A 168
ILE A 151
None
1.18A 4x1kD-4i3uA:
undetectable
4x1kD-4i3uA:
23.05
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.
4X20_D_LOCD502_2
(TUBULIN BETA CHAIN)
4i3u ALDEHYDE
DEHYDROGENASE (NAD+)

(Sinorhizobium
meliloti)
5 / 11 LEU A 202
ASN A 175
ALA A 171
VAL A 168
ILE A 151
None
1.15A 4x20D-4i3uA:
undetectable
4x20D-4i3uA:
23.05
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.
4XDR_A_ADNA402_1
(FAD:PROTEIN FMN
TRANSFERASE)
4i3u ALDEHYDE
DEHYDROGENASE (NAD+)

(Sinorhizobium
meliloti)
5 / 12 LEU A 207
GLY A 201
ALA A 200
ILE A 196
THR A  76
None
1.01A 4xdrA-4i3uA:
undetectable
4xdrA-4i3uA:
23.08
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.
4XE3_A_CL6A502_1
(CYTOCHROME P-450)
4i3u ALDEHYDE
DEHYDROGENASE (NAD+)

(Sinorhizobium
meliloti)
4 / 5 LEU A  80
ALA A 200
VAL A 168
ILE A 172
None
0.95A 4xe3A-4i3uA:
undetectable
4xe3A-4i3uA:
22.66
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.
4XE3_B_CL6B502_1
(CYTOCHROME P-450)
4i3u ALDEHYDE
DEHYDROGENASE (NAD+)

(Sinorhizobium
meliloti)
4 / 5 LEU A  80
ALA A 200
VAL A 168
ILE A 172
None
0.92A 4xe3B-4i3uA:
undetectable
4xe3B-4i3uA:
22.66
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.
5K9D_A_CE9A402_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)
4i3u ALDEHYDE
DEHYDROGENASE (NAD+)

(Sinorhizobium
meliloti)
5 / 12 ALA A  79
LEU A  80
ALA A  77
PHE A 113
THR A 114
None
1.16A 5k9dA-4i3uA:
undetectable
5k9dA-4i3uA:
23.80
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.
6F6S_B_CXQB705_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN,GP1
ENVELOPE
GLYCOPROTEIN)
4i3u ALDEHYDE
DEHYDROGENASE (NAD+)

(Sinorhizobium
meliloti)
4 / 6 VAL A 178
LEU A 207
LEU A 202
LEU A 193
None
1.05A 6f6sA-4i3uA:
undetectable
6f6sB-4i3uA:
undetectable
6f6sA-4i3uA:
12.87
6f6sB-4i3uA:
10.16
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.
6MN5_A_LLLA301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)
4i3u ALDEHYDE
DEHYDROGENASE (NAD+)

(Sinorhizobium
meliloti)
4 / 6 ASP A 322
TYR A  32
ASP A  89
GLU A  85
None
1.18A 6mn5A-4i3uA:
undetectable
6mn5A-4i3uA:
12.65
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.
6MN5_B_LLLB301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)
4i3u ALDEHYDE
DEHYDROGENASE (NAD+)

(Sinorhizobium
meliloti)
4 / 7 ASP A 322
TYR A  32
ASP A  89
GLU A  85
None
1.04A 6mn5B-4i3uA:
undetectable
6mn5B-4i3uA:
12.65
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.
6MN5_C_LLLC301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)
4i3u ALDEHYDE
DEHYDROGENASE (NAD+)

(Sinorhizobium
meliloti)
4 / 6 ASP A 322
TYR A  32
ASP A  89
GLU A  85
None
1.19A 6mn5C-4i3uA:
undetectable
6mn5C-4i3uA:
12.65