SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3gka'

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.
1FDT_A_ESTA350_1
(17-BETA-HYDROXYSTERO
ID-DEHYDROGENASE)		 3gka N-ETHYLMALEIMIDE
REDUCTASE
(Burkholderia
pseudomallei) 		5 / 11 VAL A 232
LEU A 214
HIS A 254
PHE A 252
GLU A 258
 None
 1.32A 1fdtA-3gkaA:
2.7		 1fdtA-3gkaA:
24.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H60_A_STRA500_1
(PENTAERYTHRITOL
TETRANITRATE
REDUCTASE)		 3gka N-ETHYLMALEIMIDE
REDUCTASE
(Burkholderia
pseudomallei) 		5 / 9 THR A  33
TYR A  74
HIS A 181
TYR A 186
TYR A 344
 FMN  A 362 (-3.8A)
None
FMN  A 362 (-3.7A)
None
FMN  A 362 (-4.2A)
 0.35A 1h60A-3gkaA:
53.2		 1h60A-3gkaA:
46.79
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.
1MIC_A_DVAA6_0
(GRAMICIDIN A)		 3gka N-ETHYLMALEIMIDE
REDUCTASE
(Burkholderia
pseudomallei) 		3 / 3 ALA A  45
VAL A  92
TRP A  89
 None
 0.80A 1micA-3gkaA:
undetectable
1micB-3gkaA:
undetectable		 1micA-3gkaA:
4.90
1micB-3gkaA:
4.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ABA_A_STRA1500_1
(PENTAERYTHRITOL
TETRANITRATE
REDUCTASE)		 3gka N-ETHYLMALEIMIDE
REDUCTASE
(Burkholderia
pseudomallei) 		5 / 9 THR A  33
TYR A  74
HIS A 181
TYR A 186
TYR A 344
 FMN  A 362 (-3.8A)
None
FMN  A 362 (-3.7A)
None
FMN  A 362 (-4.2A)
 0.35A 2abaA-3gkaA:
53.4		 2abaA-3gkaA:
46.79
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.
2AOF_C_FRDC305_1
(POL POLYPROTEIN
PEPTIDE INHIBITOR)		 3gka N-ETHYLMALEIMIDE
REDUCTASE
(Burkholderia
pseudomallei) 		4 / 5 GLY A 231
PRO A  31
ALA A  30
ILE A  28
 None
FMN  A 362 (-3.6A)
FMN  A 362 (-3.4A)
None
 0.78A 2aofA-3gkaA:
undetectable		 2aofA-3gkaA:
14.70
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.
3ELZ_B_CHDB151_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 3gka N-ETHYLMALEIMIDE
REDUCTASE
(Burkholderia
pseudomallei) 		5 / 10 ILE A 264
GLY A 253
PHE A 252
PRO A 236
LEU A 215
 None
 1.03A 3elzB-3gkaA:
undetectable		 3elzB-3gkaA:
18.35
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.
3N23_C_OBNC1_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		 3gka N-ETHYLMALEIMIDE
REDUCTASE
(Burkholderia
pseudomallei) 		5 / 11 PRO A 289
LEU A 259
VAL A 218
ALA A 221
ARG A 102
 None
 1.31A 3n23C-3gkaA:
undetectable		 3n23C-3gkaA:
16.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UPW_A_NCAA412_0
(OLD YELLOW ENZYME
2.6 (OYE2.6), NADPH
DEHYDROGENASE)		 3gka N-ETHYLMALEIMIDE
REDUCTASE
(Burkholderia
pseudomallei) 		5 / 9 THR A  33
ALA A  64
HIS A 181
TYR A 186
TYR A 344
 FMN  A 362 (-3.8A)
FMN  A 362 (-3.2A)
FMN  A 362 (-3.7A)
None
FMN  A 362 (-4.2A)
 0.24A 3upwA-3gkaA:
46.9		 3upwA-3gkaA:
34.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4A3U_A_NCAA1359_0
(NADH:FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE)		 3gka N-ETHYLMALEIMIDE
REDUCTASE
(Burkholderia
pseudomallei) 		6 / 7 THR A  33
TRP A 108
HIS A 181
ASN A 184
TYR A 186
TYR A 344
 FMN  A 362 (-3.8A)
None
FMN  A 362 (-3.7A)
FMN  A 362 (-4.4A)
None
FMN  A 362 (-4.2A)
 0.34A 4a3uA-3gkaA:
55.7		 4a3uA-3gkaA:
47.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4A3U_B_NCAB1359_0
(NADH:FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE)		 3gka N-ETHYLMALEIMIDE
REDUCTASE
(Burkholderia
pseudomallei) 		6 / 7 THR A  33
TRP A 108
HIS A 181
ASN A 184
TYR A 186
TYR A 344
 FMN  A 362 (-3.8A)
None
FMN  A 362 (-3.7A)
FMN  A 362 (-4.4A)
None
FMN  A 362 (-4.2A)
 0.28A 4a3uB-3gkaA:
56.2		 4a3uB-3gkaA:
47.70
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_B_RGZB601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)		 3gka N-ETHYLMALEIMIDE
REDUCTASE
(Burkholderia
pseudomallei) 		5 / 12 PRO A 289
LEU A  16
LEU A  23
ILE A 291
ILE A  18
 None
 0.99A 4a7aB-3gkaA:
undetectable		 4a7aB-3gkaA:
19.32
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.
4A7A_B_RGZB601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)		 3gka N-ETHYLMALEIMIDE
REDUCTASE
(Burkholderia
pseudomallei) 		5 / 12 PRO A 289
LEU A  16
LEU A  23
LEU A  59
ILE A 291
 None
 0.98A 4a7aB-3gkaA:
undetectable		 4a7aB-3gkaA:
19.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		 3gka N-ETHYLMALEIMIDE
REDUCTASE
(Burkholderia
pseudomallei) 		5 / 7 THR A  33
TRP A 108
HIS A 181
ASN A 184
TYR A 186
 FMN  A 362 (-3.8A)
None
FMN  A 362 (-3.7A)
FMN  A 362 (-4.4A)
None
 0.30A 4awuA-3gkaA:
54.7		 4awuA-3gkaA:
45.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DF2_A_4CHA506_0
(NADPH DEHYDROGENASE)		 3gka N-ETHYLMALEIMIDE
REDUCTASE
(Burkholderia
pseudomallei) 		5 / 6 THR A  33
TYR A  74
HIS A 181
TYR A 186
TYR A 344
 FMN  A 362 (-3.8A)
None
FMN  A 362 (-3.7A)
None
FMN  A 362 (-4.2A)
 0.84A 4df2A-3gkaA:
46.8		 4df2A-3gkaA:
34.14
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.
4I13_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 3gka N-ETHYLMALEIMIDE
REDUCTASE
(Burkholderia
pseudomallei) 		3 / 3 ASP A 245
ARG A 112
THR A 251
 None
 0.82A 4i13A-3gkaA:
undetectable		 4i13A-3gkaA:
18.48
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.
4P3R_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 3gka N-ETHYLMALEIMIDE
REDUCTASE
(Burkholderia
pseudomallei) 		3 / 3 ASP A 245
ARG A 112
THR A 251
 None
 0.85A 4p3rA-3gkaA:
undetectable		 4p3rA-3gkaA:
18.48
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.
4X30_A_T44A401_1
(THYROXINE-BINDING
GLOBULIN)		 3gka N-ETHYLMALEIMIDE
REDUCTASE
(Burkholderia
pseudomallei) 		5 / 9 ALA A 183
LEU A 215
LEU A 234
LEU A 214
ARG A 262
 None
 1.46A 4x30A-3gkaA:
undetectable		 4x30A-3gkaA:
21.19
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.
5FSA_A_X2NA590_1
(CYP51 VARIANT1)		 3gka N-ETHYLMALEIMIDE
REDUCTASE
(Burkholderia
pseudomallei) 		5 / 12 ALA A 167
LEU A 215
ILE A 207
GLY A 253
LEU A 234
 None
 1.04A 5fsaA-3gkaA:
undetectable		 5fsaA-3gkaA:
21.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V4V_A_NCAA402_0
(NADPH DEHYDROGENASE
3)		 3gka N-ETHYLMALEIMIDE
REDUCTASE
(Burkholderia
pseudomallei) 		6 / 8 THR A  33
TRP A 108
HIS A 181
ASN A 184
TYR A 186
TYR A 344
 FMN  A 362 (-3.8A)
None
FMN  A 362 (-3.7A)
FMN  A 362 (-4.4A)
None
FMN  A 362 (-4.2A)
 0.39A 5v4vA-3gkaA:
48.7		 5v4vA-3gkaA:
37.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V4V_B_NCAB402_0
(NADPH DEHYDROGENASE
3)		 3gka N-ETHYLMALEIMIDE
REDUCTASE
(Burkholderia
pseudomallei) 		6 / 8 THR A  33
TRP A 108
HIS A 181
ASN A 184
TYR A 186
TYR A 344
 FMN  A 362 (-3.8A)
None
FMN  A 362 (-3.7A)
FMN  A 362 (-4.4A)
None
FMN  A 362 (-4.2A)
 0.37A 5v4vB-3gkaA:
48.8		 5v4vB-3gkaA:
37.15
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.
6CZM_A_HISA402_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE CATALYTIC
SUBUNIT)		 3gka N-ETHYLMALEIMIDE
REDUCTASE
(Burkholderia
pseudomallei) 		5 / 10 GLY A 111
LEU A 187
THR A  68
VAL A  67
ALA A 162
 None
 1.01A 6czmA-3gkaA:
undetectable
6czmC-3gkaA:
undetectable		 6czmA-3gkaA:
21.54
6czmC-3gkaA:
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.
6H1L_B_FJQB501_0
(BIFUNCTIONAL
CYTOCHROME
P450/NADPH--P450
REDUCTASE)		 3gka N-ETHYLMALEIMIDE
REDUCTASE
(Burkholderia
pseudomallei) 		5 / 11 ALA A 211
LEU A 214
VAL A 180
ILE A 222
ALA A 221
 None
 1.27A 6h1lB-3gkaA:
undetectable		 6h1lB-3gkaA:
21.66