SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3gb0'

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.
1ICV_B_NIOB702_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)
3gb0 PEPTIDASE T
(Bacillus
cereus)
4 / 5 PHE A 230
GLY A 232
SER A 202
THR A 205
None
1.20A 1icvA-3gb0A:
3.1
1icvB-3gb0A:
undetectable
1icvA-3gb0A:
22.10
1icvB-3gb0A:
22.10
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.
1N4H_A_REAA500_1
(NUCLEAR RECEPTOR
ROR-BETA)
3gb0 PEPTIDASE T
(Bacillus
cereus)
5 / 11 ILE A 211
ALA A 210
MET A 264
VAL A 182
ALA A 225
None
1.17A 1n4hA-3gb0A:
undetectable
1n4hA-3gb0A:
19.85
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.
1P91_A_SAMA1401_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE A)
3gb0 PEPTIDASE T
(Bacillus
cereus)
5 / 11 GLY A 167
GLY A 340
TYR A 341
ILE A 344
LEU A 144
None
1.06A 1p91A-3gb0A:
undetectable
1p91A-3gb0A:
22.42
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.
1P91_B_SAMB2401_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE A)
3gb0 PEPTIDASE T
(Bacillus
cereus)
5 / 12 GLY A 167
GLY A 340
TYR A 341
ILE A 344
LEU A 144
None
1.10A 1p91B-3gb0A:
undetectable
1p91B-3gb0A:
22.42
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.
1PK7_B_ADNB1246_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)
3gb0 PEPTIDASE T
(Bacillus
cereus)
4 / 8 GLY A  94
VAL A 353
GLU A 354
ILE A  91
None
0.84A 1pk7B-3gb0A:
7.5
1pk7B-3gb0A:
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.
1SH9_B_RITB301_2
(POL POLYPROTEIN)
3gb0 PEPTIDASE T
(Bacillus
cereus)
5 / 10 ASP A  18
GLY A  86
ILE A  27
GLY A 105
ILE A 103
GOL  A 376 (-4.8A)
None
None
None
None
1.06A 1sh9B-3gb0A:
undetectable
1sh9B-3gb0A:
15.34
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_1
(PROTEASE RETROPEPSIN)
3gb0 PEPTIDASE T
(Bacillus
cereus)
5 / 10 GLY A 105
ALA A 106
ASP A 107
GLY A 111
VAL A 353
None
0.95A 1t3rA-3gb0A:
undetectable
1t3rA-3gb0A:
13.67
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.
1YC2_A_NCAA506_0
(NAD-DEPENDENT
DEACETYLASE 2)
3gb0 PEPTIDASE T
(Bacillus
cereus)
4 / 6 ALA A 147
ASN A  57
ILE A  59
ASP A  45
None
1.03A 1yc2A-3gb0A:
undetectable
1yc2A-3gb0A:
24.13
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.
1YC2_D_NCAD510_0
(NAD-DEPENDENT
DEACETYLASE 2)
3gb0 PEPTIDASE T
(Bacillus
cereus)
4 / 5 ALA A 147
ASN A  57
ILE A  59
ASP A  45
None
0.97A 1yc2D-3gb0A:
undetectable
1yc2D-3gb0A:
24.13
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.
2AQU_B_DR7B300_1
(HIV-1 PROTEASE)
3gb0 PEPTIDASE T
(Bacillus
cereus)
5 / 10 GLY A 105
ALA A 106
ASP A 107
GLY A 111
ILE A 351
None
0.98A 2aquA-3gb0A:
undetectable
2aquA-3gb0A:
14.21
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.
2BPX_B_MK1B902_2
(HIV-1 PROTEASE)
3gb0 PEPTIDASE T
(Bacillus
cereus)
6 / 12 GLY A 105
ALA A 106
ASP A 107
GLY A 111
VAL A 353
ILE A 351
None
0.98A 2bpxB-3gb0A:
undetectable
2bpxB-3gb0A:
14.21
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.
2QHC_B_AB1B9001_1
(PROTEASE RETROPEPSIN)
3gb0 PEPTIDASE T
(Bacillus
cereus)
5 / 11 ALA A 106
ASP A 107
GLY A 111
VAL A 353
ILE A 351
None
1.01A 2qhcA-3gb0A:
undetectable
2qhcA-3gb0A:
14.21
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.
2R5P_D_MK1D902_2
(PROTEASE)
3gb0 PEPTIDASE T
(Bacillus
cereus)
6 / 12 GLY A 105
ALA A 106
ASP A 107
GLY A 111
VAL A 353
ILE A 351
None
1.01A 2r5pD-3gb0A:
undetectable
2r5pD-3gb0A:
15.98
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.
3BVB_B_017B401_2
(PROTEASE
(RETROPEPSIN))
3gb0 PEPTIDASE T
(Bacillus
cereus)
6 / 12 GLY A 105
ALA A 106
ASP A 107
GLY A 111
VAL A 353
ILE A 351
None
0.95A 3bvbB-3gb0A:
undetectable
3bvbB-3gb0A:
15.04
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.
3D1Y_A_ROCA201_1
(HIV-1 PROTEASE)
3gb0 PEPTIDASE T
(Bacillus
cereus)
6 / 12 GLY A 105
ALA A 106
ASP A 107
GLY A 111
VAL A 353
ILE A 351
None
0.98A 3d1yA-3gb0A:
undetectable
3d1yA-3gb0A:
15.71
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.
3EM4_A_DR7A100_1
(PROTEASE)
3gb0 PEPTIDASE T
(Bacillus
cereus)
6 / 11 GLY A 105
ALA A 106
ASP A 107
GLY A 111
VAL A 353
ILE A 351
None
1.06A 3em4A-3gb0A:
undetectable
3em4A-3gb0A:
14.79
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.
3FC6_C_REAC501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)
3gb0 PEPTIDASE T
(Bacillus
cereus)
5 / 12 VAL A 299
ALA A 305
ALA A 306
ALA A 365
VAL A 174
None
1.00A 3fc6C-3gb0A:
undetectable
3fc6C-3gb0A:
22.25
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.
3IA4_B_MTXB164_2
(DIHYDROFOLATE
REDUCTASE)
3gb0 PEPTIDASE T
(Bacillus
cereus)
4 / 4 PHE A  11
LYS A 109
ILE A  96
THR A 359
None
1.45A 3ia4B-3gb0A:
undetectable
3ia4B-3gb0A:
16.84
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.
3LZU_A_017A200_2
(HIV-1 PROTEASE)
3gb0 PEPTIDASE T
(Bacillus
cereus)
6 / 12 GLY A 105
ALA A 106
ASP A 107
GLY A 111
VAL A 353
ILE A 351
None
1.05A 3lzuB-3gb0A:
undetectable
3lzuB-3gb0A:
14.50
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.
3NDU_A_ROCA101_1
(PROTEASE)
3gb0 PEPTIDASE T
(Bacillus
cereus)
5 / 12 ALA A 106
ASP A 107
GLY A 111
VAL A 353
ILE A 351
None
0.92A 3nduA-3gb0A:
undetectable
3nduA-3gb0A:
15.34
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.
3NDU_A_ROCA101_2
(PROTEASE)
3gb0 PEPTIDASE T
(Bacillus
cereus)
5 / 12 ALA A 106
ASP A 107
GLY A 111
VAL A 353
ILE A 351
None
0.93A 3nduB-3gb0A:
undetectable
3nduB-3gb0A:
15.34
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.
3OXV_B_478B200_1
(HIV-1 PROTEASE)
3gb0 PEPTIDASE T
(Bacillus
cereus)
5 / 9 GLY A 105
ALA A 106
GLY A 111
VAL A 353
ILE A 351
None
0.89A 3oxvA-3gb0A:
undetectable
3oxvA-3gb0A:
14.50
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.
3TQ8_A_TOPA2001_1
(DIHYDROFOLATE
REDUCTASE)
3gb0 PEPTIDASE T
(Bacillus
cereus)
5 / 9 ILE A  72
LEU A 122
PHE A  74
ILE A 366
THR A 131
None
1.20A 3tq8A-3gb0A:
undetectable
3tq8A-3gb0A:
18.59
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.
4DQF_B_017B101_2
(ASPARTYL PROTEASE)
3gb0 PEPTIDASE T
(Bacillus
cereus)
6 / 10 GLY A 105
ALA A 106
ASP A 107
GLY A 111
VAL A 353
ILE A 351
None
1.01A 4dqfB-3gb0A:
undetectable
4dqfB-3gb0A:
16.00
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.
4FGL_B_CLQB303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
3gb0 PEPTIDASE T
(Bacillus
cereus)
5 / 11 HIS A 316
PHE A 290
GLY A 320
GLY A 321
TYR A 287
None
None
GOL  A 373 ( 3.7A)
GOL  A 373 (-4.0A)
GOL  A 373 (-4.8A)
1.27A 4fglA-3gb0A:
2.2
4fglB-3gb0A:
undetectable
4fglA-3gb0A:
18.42
4fglB-3gb0A:
18.42
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.
4G8Z_X_TOPX301_1
(DIHYDROFOLATE
REDUCTASE)
3gb0 PEPTIDASE T
(Bacillus
cereus)
5 / 10 ILE A  72
LEU A 122
PHE A  74
ILE A 366
THR A 131
None
1.20A 4g8zX-3gb0A:
undetectable
4g8zX-3gb0A:
21.94
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.
4JEC_B_478B401_1
(HIV-1 PROTEASE)
3gb0 PEPTIDASE T
(Bacillus
cereus)
6 / 12 GLY A 105
ALA A 106
ASP A 107
GLY A 111
VAL A 353
ILE A 351
None
0.96A 4jecA-3gb0A:
undetectable
4jecA-3gb0A:
15.34
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.
4NKX_B_STRB601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)
3gb0 PEPTIDASE T
(Bacillus
cereus)
4 / 5 ILE A  27
LEU A  31
ASP A 108
GLU A  24
None
1.03A 4nkxB-3gb0A:
undetectable
4nkxB-3gb0A:
21.01
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.
4P68_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)
3gb0 PEPTIDASE T
(Bacillus
cereus)
5 / 11 ILE A 351
PHE A  11
LYS A 109
ILE A  96
THR A 359
None
1.42A 4p68A-3gb0A:
undetectable
4p68A-3gb0A:
17.26
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.
4PQA_A_X8ZA401_1
(SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE)
3gb0 PEPTIDASE T
(Bacillus
cereus)
5 / 11 HIS A  77
ASP A 107
GLU A 140
GLU A 141
GLY A 320
None
None
None
None
GOL  A 373 ( 3.7A)
0.66A 4pqaA-3gb0A:
35.0
4pqaA-3gb0A:
25.12
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.
4PQA_A_X8ZA401_1
(SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE)
3gb0 PEPTIDASE T
(Bacillus
cereus)
6 / 11 HIS A  77
ASP A 107
GLU A 140
GLU A 141
ILE A 344
HIS A 345
None
0.25A 4pqaA-3gb0A:
35.0
4pqaA-3gb0A:
25.12
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.
4PQA_A_X8ZA401_1
(SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE)
3gb0 PEPTIDASE T
(Bacillus
cereus)
6 / 11 HIS A  77
ASP A 107
GLU A 141
GLY A 320
ILE A 344
HIS A 345
None
None
None
GOL  A 373 ( 3.7A)
None
None
1.12A 4pqaA-3gb0A:
35.0
4pqaA-3gb0A:
25.12
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.
4PQA_A_X8ZA401_1
(SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE)
3gb0 PEPTIDASE T
(Bacillus
cereus)
5 / 11 HIS A  77
GLU A 140
GLU A 141
GLY A 319
GLY A 320
None
None
None
PEG  A 377 ( 4.1A)
GOL  A 373 ( 3.7A)
0.58A 4pqaA-3gb0A:
35.0
4pqaA-3gb0A:
25.12
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.
4Q1W_A_017A104_1
(ASPARTYL PROTEASE)
3gb0 PEPTIDASE T
(Bacillus
cereus)
5 / 9 GLY A 105
ALA A 106
ASP A 107
GLY A 111
VAL A 353
None
1.02A 4q1wA-3gb0A:
undetectable
4q1wA-3gb0A:
13.67
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_GCSB307_1
(CHITOSANASE)
3gb0 PEPTIDASE T
(Bacillus
cereus)
4 / 7 THR A 101
GLY A 100
THR A 102
VAL A  97
None
0.92A 4qwpB-3gb0A:
undetectable
4qwpB-3gb0A:
21.43
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.
4XE5_A_OBNA1104_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)
3gb0 PEPTIDASE T
(Bacillus
cereus)
5 / 12 ASP A 241
GLU A 198
GLY A 276
ALA A 272
ILE A 186
None
1.23A 4xe5A-3gb0A:
undetectable
4xe5A-3gb0A:
17.34
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.
4Y4D_A_CFFA411_1
(ENDOTHIAPEPSIN)
3gb0 PEPTIDASE T
(Bacillus
cereus)
4 / 6 LEU A   7
LEU A  14
ILE A 119
PHE A 116
None
1.00A 4y4dA-3gb0A:
undetectable
4y4dA-3gb0A:
22.39
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.
4YMG_A_SAMA1001_0
(PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE)
3gb0 PEPTIDASE T
(Bacillus
cereus)
5 / 12 GLY A 111
TYR A 341
SER A 165
ALA A 106
GLU A 349
None
1.44A 4ymgA-3gb0A:
undetectable
4ymgA-3gb0A:
22.50
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.
5I3C_B_AC2B301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)
3gb0 PEPTIDASE T
(Bacillus
cereus)
5 / 10 GLY A  94
VAL A 353
GLU A 354
ASP A  93
ILE A  91
None
1.03A 5i3cB-3gb0A:
4.4
5i3cB-3gb0A:
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.
5JM4_A_BEZA301_0
(14-3-3 PROTEIN
ZETA/DELTA)
3gb0 PEPTIDASE T
(Bacillus
cereus)
4 / 5 PHE A  11
ILE A  96
MET A  12
GLN A  16
None
1.47A 5jm4A-3gb0A:
undetectable
5jm4A-3gb0A:
23.26
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.
5N0S_A_SAMA501_0
(PEPTIDE
N-METHYLTRANSFERASE)
3gb0 PEPTIDASE T
(Bacillus
cereus)
5 / 12 ILE A 186
PHE A 246
VAL A 182
ILE A 204
ALA A 203
None
1.10A 5n0sA-3gb0A:
undetectable
5n0sA-3gb0A:
23.39
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.
5N0S_B_SAMB501_0
(PEPTIDE
N-METHYLTRANSFERASE)
3gb0 PEPTIDASE T
(Bacillus
cereus)
5 / 12 ILE A 186
PHE A 246
VAL A 182
ILE A 204
ALA A 203
None
1.10A 5n0sB-3gb0A:
undetectable
5n0sB-3gb0A:
23.39
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.
5N0X_A_SAMA501_0
(PEPTIDE
N-METHYLTRANSFERASE)
3gb0 PEPTIDASE T
(Bacillus
cereus)
5 / 12 ILE A 186
PHE A 246
VAL A 182
ILE A 204
ALA A 203
None
1.11A 5n0xA-3gb0A:
undetectable
5n0xA-3gb0A:
23.39
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.
6EF6_A_ACTA405_0
(AMINOGLYCOSIDE
PHOSPHOTRANSFERASE)
3gb0 PEPTIDASE T
(Bacillus
cereus)
4 / 6 THR A 224
ARG A 218
PRO A 177
GLN A 317
None
PEG  A 377 ( 4.0A)
None
None
1.40A 6ef6A-3gb0A:
undetectable
6ef6A-3gb0A:
19.42
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.
6F3N_B_ADNB505_1
(-)
3gb0 PEPTIDASE T
(Bacillus
cereus)
5 / 12 GLU A 141
THR A  80
ASP A 107
LEU A 112
GLY A 111
None
1.39A 6f3nB-3gb0A:
undetectable
6f3nB-3gb0A:
23.89