SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3gr8'

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.
1A4L_B_DCFB853_2
(ADENOSINE DEAMINASE)		 3gr8 NADPH DEHYDROGENASE
(Geobacillus
kaustophilus) 		4 / 5 HIS A 164
SER A 176
LEU A 178
GLY A 251
 FMN  A 341 (-4.0A)
None
None
None
 0.81A 1a4lB-3gr8A:
7.6		 1a4lB-3gr8A:
22.81
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.
1DF7_A_MTXA501_1
(DIHYDROFOLATE
REDUCTASE)		 3gr8 NADPH DEHYDROGENASE
(Geobacillus
kaustophilus) 		5 / 12 ALA A 235
ILE A 216
ARG A 205
ILE A 201
TYR A 194
 None
 0.97A 1df7A-3gr8A:
undetectable		 1df7A-3gr8A:
20.12
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.
1MZ9_A_VDYA1002_1
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		 3gr8 NADPH DEHYDROGENASE
(Geobacillus
kaustophilus) 		4 / 4 ILE A  82
LEU A  85
VAL A  89
ALA A  97
 None
 0.95A 1mz9A-3gr8A:
undetectable		 1mz9A-3gr8A:
9.48
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.
1OG5_B_SWFB502_1
(CYTOCHROME P450 2C9)		 3gr8 NADPH DEHYDROGENASE
(Geobacillus
kaustophilus) 		5 / 12 ILE A 286
THR A   3
LEU A 296
LEU A 324
PHE A   6
 None
 1.00A 1og5B-3gr8A:
undetectable		 1og5B-3gr8A:
20.58
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.
1RB3_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 3gr8 NADPH DEHYDROGENASE
(Geobacillus
kaustophilus) 		5 / 10 ALA A 301
ASP A 302
LEU A 245
ILE A 216
ILE A 272
 None
 1.17A 1rb3A-3gr8A:
undetectable		 1rb3A-3gr8A:
20.35
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.
1S8F_B_BEZB1503_0
(RAS-RELATED PROTEIN
RAB-9A)		 3gr8 NADPH DEHYDROGENASE
(Geobacillus
kaustophilus) 		4 / 6 GLU A 199
LEU A 197
ARG A 195
PHE A 174
 BTB  A 344 (-4.0A)
None
SO4  A 342 ( 3.3A)
None
 1.14A 1s8fB-3gr8A:
2.1		 1s8fB-3gr8A:
18.55
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.
2AVV_A_MK1A901_2
(POL POLYPROTEIN)		 3gr8 NADPH DEHYDROGENASE
(Geobacillus
kaustophilus) 		3 / 3 ASP A 302
VAL A  21
PRO A  24
 None
None
FMN  A 341 (-4.3A)
 0.73A 2avvA-3gr8A:
undetectable		 2avvA-3gr8A:
13.95
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.
2PRG_B_BRLB2_1
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)		 3gr8 NADPH DEHYDROGENASE
(Geobacillus
kaustophilus) 		5 / 12 PHE A 158
HIS A  41
VAL A  53
LEU A  85
LEU A  74
 None
 1.42A 2prgB-3gr8A:
undetectable		 2prgB-3gr8A:
22.82
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.
2Q83_A_ADNA1_1
(YTAA PROTEIN)		 3gr8 NADPH DEHYDROGENASE
(Geobacillus
kaustophilus) 		4 / 7 ILE A 278
ILE A 163
LEU A 197
ILE A 201
 None
 0.86A 2q83A-3gr8A:
undetectable		 2q83A-3gr8A:
22.96
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.
3OGP_A_017A200_2
(FIV PROTEASE)		 3gr8 NADPH DEHYDROGENASE
(Geobacillus
kaustophilus) 		5 / 10 LEU A  88
ALA A 156
GLY A 149
VAL A  37
LEU A  85
 None
 1.04A 3ogpB-3gr8A:
undetectable		 3ogpB-3gr8A:
15.58
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.
3OGP_B_017B200_1
(FIV PROTEASE)		 3gr8 NADPH DEHYDROGENASE
(Geobacillus
kaustophilus) 		5 / 10 LEU A  88
ALA A 156
GLY A 149
VAL A  37
LEU A  85
 None
 1.01A 3ogpA-3gr8A:
undetectable		 3ogpA-3gr8A:
15.58
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.
3PGY_B_GLYB511_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 3gr8 NADPH DEHYDROGENASE
(Geobacillus
kaustophilus) 		4 / 5 SER A   7
GLU A 293
LEU A 296
GLN A 297
 None
 1.07A 3pgyB-3gr8A:
1.9		 3pgyB-3gr8A:
21.96
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.
3UT5_B_LOCB502_1
(TUBULIN BETA CHAIN)		 3gr8 NADPH DEHYDROGENASE
(Geobacillus
kaustophilus) 		5 / 12 ALA A  97
LYS A  17
LEU A  16
ASN A  18
ILE A  57
 None
 1.18A 3ut5B-3gr8A:
undetectable		 3ut5B-3gr8A:
21.84
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.
4A9K_A_TYLA2200_1
(CREB-BINDING PROTEIN)		 3gr8 NADPH DEHYDROGENASE
(Geobacillus
kaustophilus) 		4 / 6 VAL A 160
LEU A  14
ILE A  11
VAL A  21
 None
 0.94A 4a9kA-3gr8A:
undetectable		 4a9kA-3gr8A:
16.47
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.
4A9K_B_TYLB2198_1
(CREB-BINDING PROTEIN)		 3gr8 NADPH DEHYDROGENASE
(Geobacillus
kaustophilus) 		4 / 5 VAL A 160
LEU A  14
ILE A  11
VAL A  21
 None
 0.82A 4a9kB-3gr8A:
undetectable		 4a9kB-3gr8A:
16.47
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.
4AZW_A_SAMA1451_0
(WBDD)		 3gr8 NADPH DEHYDROGENASE
(Geobacillus
kaustophilus) 		5 / 12 ALA A 145
GLN A 147
ASN A 148
ILE A 163
LEU A 170
 None
 1.20A 4azwA-3gr8A:
undetectable		 4azwA-3gr8A:
23.63
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.
4BLV_A_SAMA1281_1
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J)		 3gr8 NADPH DEHYDROGENASE
(Geobacillus
kaustophilus) 		4 / 6 HIS A 164
SER A 217
GLU A 173
ASP A 125
 FMN  A 341 (-4.0A)
None
None
None
 1.28A 4blvA-3gr8A:
undetectable		 4blvA-3gr8A:
24.71
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.
4KIC_A_SAMA401_0
(METHYLTRANSFERASE
MPPJ)		 3gr8 NADPH DEHYDROGENASE
(Geobacillus
kaustophilus) 		5 / 12 GLY A 251
ILE A 216
ALA A 218
ALA A 165
ASP A 247
 None
 1.19A 4kicA-3gr8A:
undetectable		 4kicA-3gr8A:
21.59
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.
4M6T_A_SAMA201_0
(RNA POLYMERASE
II-ASSOCIATED FACTOR
1 HOMOLOG, LINKER,
RNA
POLYMERASE-ASSOCIATE
D PROTEIN LEO1)		 3gr8 NADPH DEHYDROGENASE
(Geobacillus
kaustophilus) 		4 / 4 ILE A 295
VAL A 283
VAL A 266
ARG A 300
 None
FMN  A 341 (-4.5A)
None
None
 0.95A 4m6tA-3gr8A:
undetectable		 4m6tA-3gr8A:
20.38
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)		 3gr8 NADPH DEHYDROGENASE
(Geobacillus
kaustophilus) 		4 / 4 LEU A 310
TYR A  28
PRO A  24
ILE A  57
 None
None
FMN  A 341 (-4.3A)
None
 1.40A 5esgA-3gr8A:
undetectable		 5esgA-3gr8A:
20.70
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.
5IWU_A_ERYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 3gr8 NADPH DEHYDROGENASE
(Geobacillus
kaustophilus) 		4 / 6 GLY A 187
ASP A 220
ILE A 216
TYR A 234
 None
 1.04A 5iwuA-3gr8A:
undetectable		 5iwuA-3gr8A:
22.13
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.
5KOX_A_RFPA502_2
(PENTACHLOROPHENOL
4-MONOOXYGENASE)		 3gr8 NADPH DEHYDROGENASE
(Geobacillus
kaustophilus) 		3 / 3 VAL A  63
ARG A 193
PRO A 119
 None
 0.84A 5koxA-3gr8A:
undetectable		 5koxA-3gr8A:
22.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5OCS_A_ACTA402_0
(PUTATIVE
NADH-DEPENTDENT
FLAVIN
OXIDOREDUCTASE)		 3gr8 NADPH DEHYDROGENASE
(Geobacillus
kaustophilus) 		4 / 5 CYH A  26
HIS A 164
HIS A 167
TYR A 169
 FMN  A 341 (-3.0A)
FMN  A 341 (-4.0A)
None
None
 0.92A 5ocsA-3gr8A:
51.0		 5ocsA-3gr8A:
41.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5OCS_A_ACTA402_0
(PUTATIVE
NADH-DEPENTDENT
FLAVIN
OXIDOREDUCTASE)		 3gr8 NADPH DEHYDROGENASE
(Geobacillus
kaustophilus) 		4 / 5 CYH A  26
ILE A  69
HIS A 164
TYR A 169
 FMN  A 341 (-3.0A)
None
FMN  A 341 (-4.0A)
None
 0.21A 5ocsA-3gr8A:
51.0		 5ocsA-3gr8A:
41.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5OCS_C_ACTC402_0
(PUTATIVE
NADH-DEPENTDENT
FLAVIN
OXIDOREDUCTASE)		 3gr8 NADPH DEHYDROGENASE
(Geobacillus
kaustophilus) 		4 / 5 CYH A  26
HIS A 164
HIS A 167
TYR A 169
 FMN  A 341 (-3.0A)
FMN  A 341 (-4.0A)
None
None
 0.90A 5ocsC-3gr8A:
51.0		 5ocsC-3gr8A:
41.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5OCS_C_ACTC402_0
(PUTATIVE
NADH-DEPENTDENT
FLAVIN
OXIDOREDUCTASE)		 3gr8 NADPH DEHYDROGENASE
(Geobacillus
kaustophilus) 		4 / 5 CYH A  26
ILE A  69
HIS A 164
TYR A 169
 FMN  A 341 (-3.0A)
None
FMN  A 341 (-4.0A)
None
 0.21A 5ocsC-3gr8A:
51.0		 5ocsC-3gr8A:
41.71
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.
6CDU_G_EY4G502_0
(CHIMERIC ALPHA1GABAA
RECEPTOR)		 3gr8 NADPH DEHYDROGENASE
(Geobacillus
kaustophilus) 		4 / 8 GLN A  52
VAL A  53
PRO A 331
ILE A  56
 None
 1.03A 6cduG-3gr8A:
undetectable
6cduH-3gr8A:
undetectable		 6cduG-3gr8A:
23.92
6cduH-3gr8A:
23.92
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.
6J20_A_GBQA1201_1
(SUBSTANCE-P
RECEPTOR,ENDOLYSIN)		 3gr8 NADPH DEHYDROGENASE
(Geobacillus
kaustophilus) 		4 / 7 ILE A 295
GLN A 291
GLU A 309
VAL A 304
 None
 0.95A 6j20A-3gr8A:
undetectable		 6j20A-3gr8A:
21.71
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.
6NM4_A_SAMA402_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
PRDM9)		 3gr8 NADPH DEHYDROGENASE
(Geobacillus
kaustophilus) 		4 / 7 ALA A 282
GLY A 281
LEU A 303
GLY A 307
 None
None
None
FMN  A 341 (-3.2A)
 0.77A 6nm4A-3gr8A:
undetectable		 6nm4A-3gr8A:
18.60
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.
6NM4_B_SAMB402_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
PRDM9)		 3gr8 NADPH DEHYDROGENASE
(Geobacillus
kaustophilus) 		5 / 9 ILE A 295
ALA A 282
GLY A 281
LEU A 303
GLY A 307
 None
None
None
None
FMN  A 341 (-3.2A)
 1.10A 6nm4B-3gr8A:
undetectable		 6nm4B-3gr8A:
18.60