SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4kwg'

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.
1MRJ_A_ADNA300_1
(ALPHA-TRICHOSANTHIN)		 4kwg ALDEHYDE
DEHYDROGENASE,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 8 GLY A 225
ILE A 249
SER A 246
GLU A 248
 None
 0.87A 1mrjA-4kwgA:
undetectable		 1mrjA-4kwgA:
20.17
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.
1T7I_A_017A200_2
(POL POLYPROTEIN)		 4kwg ALDEHYDE
DEHYDROGENASE,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 7 ALA A 194
GLY A 229
ILE A 232
THR A 244
 None
 0.75A 1t7iB-4kwgA:
undetectable		 1t7iB-4kwgA:
11.99
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.
1T7J_A_478A200_2
(POL POLYPROTEIN)		 4kwg ALDEHYDE
DEHYDROGENASE,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 7 ALA A 194
GLY A 229
ILE A 232
THR A 244
 None
 0.74A 1t7jB-4kwgA:
undetectable		 1t7jB-4kwgA:
11.99
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.
1VPO_H_TESH1010_1
(ANTI-TESTOSTERONE
(HEAVY CHAIN)
ANTI-TESTOSTERONE
(LIGHT CHAIN))		 4kwg ALDEHYDE
DEHYDROGENASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 12 SER A 273
ALA A 448
GLY A 449
LEU A 427
PHE A 465
 None
 1.26A 1vpoH-4kwgA:
undetectable
1vpoL-4kwgA:
undetectable		 1vpoH-4kwgA:
17.73
1vpoL-4kwgA:
17.96
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.
2AA6_A_STRA401_1
(MINERALOCORTICOID
RECEPTOR)		 4kwg ALDEHYDE
DEHYDROGENASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 12 LEU A  88
ASN A  89
LEU A  91
ALA A  92
LEU A 179
 None
 1.36A 2aa6A-4kwgA:
undetectable		 2aa6A-4kwgA:
18.31
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.
2J2P_C_SC2C1289_1
(FICOLIN-2)		 4kwg ALDEHYDE
DEHYDROGENASE,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 6 SER A 423
SER A 273
LEU A 427
GLY A 271
 None
 1.03A 2j2pA-4kwgA:
undetectable
2j2pC-4kwgA:
undetectable		 2j2pA-4kwgA:
20.48
2j2pC-4kwgA:
20.48
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.
2J2P_C_SC2C1289_1
(FICOLIN-2)		 4kwg ALDEHYDE
DEHYDROGENASE,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 6 SER A 423
SER A 471
LEU A 427
GLY A 426
 None
 0.99A 2j2pA-4kwgA:
undetectable
2j2pC-4kwgA:
undetectable		 2j2pA-4kwgA:
20.48
2j2pC-4kwgA:
20.48
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.
2J2P_F_SC2F1289_1
(FICOLIN-2)		 4kwg ALDEHYDE
DEHYDROGENASE,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 6 SER A 423
SER A 471
LEU A 427
GLY A 426
 None
 0.98A 2j2pD-4kwgA:
undetectable
2j2pF-4kwgA:
undetectable		 2j2pD-4kwgA:
20.48
2j2pF-4kwgA:
20.48
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.
2WEY_B_EV1B1771_1
(CAMP AND
CAMP-INHIBITED CGMP
3', 5'-CYCLIC
PHOSPHODIESTERASE)		 4kwg ALDEHYDE
DEHYDROGENASE,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 8 LEU A 129
VAL A 218
TYR A 485
GLN A 164
 None
 0.64A 2weyB-4kwgA:
undetectable		 2weyB-4kwgA:
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.
3K8M_A_ACRA720_1
(ALPHA-AMYLASE, SUSG)		 4kwg ALDEHYDE
DEHYDROGENASE,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 7 GLU A 195
TRP A 168
LYS A 112
ASN A 169
 None
 1.36A 3k8mA-4kwgA:
undetectable		 3k8mA-4kwgA:
20.46
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.
3M7R_A_VDXA425_1
(VITAMIN D3 RECEPTOR)		 4kwg ALDEHYDE
DEHYDROGENASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 12 TYR A 456
LEU A 408
VAL A 310
VAL A 389
LEU A 368
 None
 1.28A 3m7rA-4kwgA:
undetectable		 3m7rA-4kwgA:
18.96
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.
3NRR_A_D16A530_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4kwg ALDEHYDE
DEHYDROGENASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 12 ALA A 242
ILE A 253
LEU A 269
GLY A 245
TYR A 425
 None
 1.05A 3nrrA-4kwgA:
2.3		 3nrrA-4kwgA:
22.04
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.
3NRR_B_D16B530_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4kwg ALDEHYDE
DEHYDROGENASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 12 ALA A 242
ILE A 253
LEU A 269
GLY A 245
TYR A 425
 None
 1.02A 3nrrB-4kwgA:
2.2		 3nrrB-4kwgA:
22.04
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.
3P2K_C_SAMC6735_1
(16S RRNA METHYLASE)		 4kwg ALDEHYDE
DEHYDROGENASE,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 5 ASN A 261
GLU A 476
THR A 244
SER A 260
 None
 1.39A 3p2kC-4kwgA:
4.5		 3p2kC-4kwgA:
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.
3RF4_C_FUNC203_1
(MACROPHAGE MIGRATION
INHIBITORY FACTOR)		 4kwg ALDEHYDE
DEHYDROGENASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 11 ILE A 165
SER A 234
VAL A 241
PHE A 243
VAL A 265
 None
 0.98A 3rf4B-4kwgA:
undetectable
3rf4C-4kwgA:
undetectable		 3rf4B-4kwgA:
15.44
3rf4C-4kwgA:
15.44
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.
4B7N_A_ZMRA601_2
(NEURAMINIDASE)		 4kwg ALDEHYDE
DEHYDROGENASE,
MITOCHONDRIAL
(Homo
sapiens) 		3 / 3 ARG A  84
ARG A  77
TRP A  76
 None
GAI  A 605 ( 4.6A)
None
 1.22A 4b7nA-4kwgA:
undetectable		 4b7nA-4kwgA:
20.96
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.
4CPZ_C_ZMRC1470_2
(NEURAMINIDASE)		 4kwg ALDEHYDE
DEHYDROGENASE,
MITOCHONDRIAL
(Homo
sapiens) 		3 / 3 ARG A  84
ARG A  77
TRP A  76
 None
GAI  A 605 ( 4.6A)
None
 1.31A 4cpzC-4kwgA:
undetectable		 4cpzC-4kwgA:
22.36
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.
4CPZ_E_ZMRE1471_2
(NEURAMINIDASE)		 4kwg ALDEHYDE
DEHYDROGENASE,
MITOCHONDRIAL
(Homo
sapiens) 		3 / 3 ARG A  84
ARG A  77
TRP A  76
 None
GAI  A 605 ( 4.6A)
None
 1.21A 4cpzE-4kwgA:
undetectable		 4cpzE-4kwgA:
22.36
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.
4CPZ_F_ZMRF1470_2
(NEURAMINIDASE)		 4kwg ALDEHYDE
DEHYDROGENASE,
MITOCHONDRIAL
(Homo
sapiens) 		3 / 3 ARG A  84
ARG A  77
TRP A  76
 None
GAI  A 605 ( 4.6A)
None
 1.26A 4cpzF-4kwgA:
undetectable		 4cpzF-4kwgA:
22.36
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.
4CPZ_G_ZMRG1471_2
(NEURAMINIDASE)		 4kwg ALDEHYDE
DEHYDROGENASE,
MITOCHONDRIAL
(Homo
sapiens) 		3 / 3 ARG A  84
ARG A  77
TRP A  76
 None
GAI  A 605 ( 4.6A)
None
 1.20A 4cpzG-4kwgA:
undetectable		 4cpzG-4kwgA:
22.36
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.
4CPZ_H_ZMRH1470_2
(NEURAMINIDASE)		 4kwg ALDEHYDE
DEHYDROGENASE,
MITOCHONDRIAL
(Homo
sapiens) 		3 / 3 ARG A  84
ARG A  77
TRP A  76
 None
GAI  A 605 ( 4.6A)
None
 1.31A 4cpzH-4kwgA:
undetectable		 4cpzH-4kwgA:
22.36
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.
4DT8_A_ADNA401_1
(APH(2'')-ID)		 4kwg ALDEHYDE
DEHYDROGENASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 11 GLY A 378
PRO A 403
ILE A 353
LEU A 354
ILE A 381
 None
 1.03A 4dt8A-4kwgA:
undetectable		 4dt8A-4kwgA:
19.68
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.
4DT8_B_ADNB401_1
(APH(2'')-ID)		 4kwg ALDEHYDE
DEHYDROGENASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 10 GLY A 378
PRO A 403
ILE A 353
LEU A 354
ILE A 381
 None
 1.02A 4dt8B-4kwgA:
undetectable		 4dt8B-4kwgA:
19.68
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)		 4kwg ALDEHYDE
DEHYDROGENASE,
MITOCHONDRIAL
(Homo
sapiens) 		8 / 11 ASN A 169
PHE A 170
LEU A 173
MET A 174
TRP A 177
CYH A 302
ASP A 457
PHE A 459
 None
2AK  A 601 (-4.1A)
2AK  A 601 (-4.9A)
2AK  A 601 ( 3.9A)
None
2AK  A 601 (-4.6A)
2AK  A 601 (-2.6A)
2AK  A 601 (-4.0A)
 0.24A 4fr8A-4kwgA:
66.3		 4fr8A-4kwgA:
99.39
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.
4O1Z_A_MXMA807_2
(PROSTAGLANDIN G/H
SYNTHASE 1)		 4kwg ALDEHYDE
DEHYDROGENASE,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 6 VAL A 125
LEU A 126
LEU A 102
PHE A  23
 None
 0.92A 4o1zA-4kwgA:
undetectable		 4o1zA-4kwgA:
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.
4OLT_B_GCSB301_1
(CHITOSANASE)		 4kwg ALDEHYDE
DEHYDROGENASE,
MITOCHONDRIAL
(Homo
sapiens) 		3 / 3 GLY A 342
PRO A 343
GLN A 300
 None
 0.39A 4oltB-4kwgA:
undetectable		 4oltB-4kwgA:
21.41
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.
4QVY_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 4kwg ALDEHYDE
DEHYDROGENASE,
MITOCHONDRIAL
(Homo
sapiens) 		6 / 10 ALA A  66
ALA A  68
ALA A  65
VAL A 190
GLY A 160
ASP A 237
 None
None
None
None
GAI  A 605 ( 4.1A)
None
 1.44A 4qvyK-4kwgA:
undetectable
4qvyL-4kwgA:
undetectable		 4qvyK-4kwgA:
18.37
4qvyL-4kwgA:
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.
4QVY_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 4kwg ALDEHYDE
DEHYDROGENASE,
MITOCHONDRIAL
(Homo
sapiens) 		6 / 10 ALA A  66
ALA A  68
ALA A  65
VAL A 190
GLY A 160
ASP A 237
 None
None
None
None
GAI  A 605 ( 4.1A)
None
 1.45A 4qvyY-4kwgA:
undetectable
4qvyZ-4kwgA:
undetectable		 4qvyY-4kwgA:
18.37
4qvyZ-4kwgA:
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.
4QWP_B_GCSB305_1
(CHITOSANASE)		 4kwg ALDEHYDE
DEHYDROGENASE,
MITOCHONDRIAL
(Homo
sapiens) 		3 / 3 GLY A 342
PRO A 343
GLN A 300
 None
 0.32A 4qwpB-4kwgA:
0.6		 4qwpB-4kwgA:
21.62
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.
4TWD_C_377C401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 4kwg ALDEHYDE
DEHYDROGENASE,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 6 ASN A 421
GLU A 414
TYR A 441
LEU A 442
 None
 1.30A 4twdB-4kwgA:
undetectable
4twdC-4kwgA:
undetectable		 4twdB-4kwgA:
21.78
4twdC-4kwgA:
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.
4TWD_E_377E401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 4kwg ALDEHYDE
DEHYDROGENASE,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 6 ASN A 421
GLU A 414
TYR A 441
LEU A 442
 None
 1.25A 4twdD-4kwgA:
undetectable
4twdE-4kwgA:
undetectable		 4twdD-4kwgA:
21.78
4twdE-4kwgA:
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.
4TWD_J_377J401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 4kwg ALDEHYDE
DEHYDROGENASE,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 6 ASN A 421
GLU A 414
TYR A 441
LEU A 442
 None
 1.13A 4twdI-4kwgA:
undetectable
4twdJ-4kwgA:
undetectable		 4twdI-4kwgA:
21.78
4twdJ-4kwgA:
21.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5FHZ_A_REAA602_1
(ALDEHYDE
DEHYDROGENASE FAMILY
1 MEMBER A3)		 4kwg ALDEHYDE
DEHYDROGENASE,
MITOCHONDRIAL
(Homo
sapiens) 		6 / 12 ASN A 169
PHE A 170
LEU A 173
MET A 174
CYH A 301
CYH A 302
 None
2AK  A 601 (-4.1A)
2AK  A 601 (-4.9A)
2AK  A 601 ( 3.9A)
2AK  A 601 (-2.8A)
2AK  A 601 (-4.6A)
 0.91A 5fhzA-4kwgA:
60.2		 5fhzA-4kwgA:
63.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5FHZ_A_REAA602_1
(ALDEHYDE
DEHYDROGENASE FAMILY
1 MEMBER A3)		 4kwg ALDEHYDE
DEHYDROGENASE,
MITOCHONDRIAL
(Homo
sapiens) 		6 / 12 ASN A 169
PHE A 170
LEU A 173
MET A 174
TRP A 177
CYH A 301
 None
2AK  A 601 (-4.1A)
2AK  A 601 (-4.9A)
2AK  A 601 ( 3.9A)
None
2AK  A 601 (-2.8A)
 0.59A 5fhzA-4kwgA:
60.2		 5fhzA-4kwgA:
63.81
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)		 4kwg ALDEHYDE
DEHYDROGENASE,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 5 HIS A 235
VAL A 221
GLY A 229
ALA A 228
 None
 1.06A 5hwaA-4kwgA:
undetectable		 5hwaA-4kwgA:
20.53