SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3bn1'

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.
1A29_A_TFPA153_1
(CALMODULIN)
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides)
4 / 8 ILE A 359
LEU A 354
GLU A 313
VAL A 362
None
0.66A 1a29A-3bn1A:
undetectable
1a29A-3bn1A:
19.83
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.
1AV2_C_DVAC6_0
(GRAMICIDIN A)
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides)
3 / 3 ALA A 252
VAL A 257
TRP A 260
None
0.87A 1av2C-3bn1A:
undetectable
1av2D-3bn1A:
undetectable
1av2C-3bn1A:
5.71
1av2D-3bn1A:
5.71
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.
1FM6_D_BRLD503_1
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides)
5 / 12 GLY A  50
CYH A  49
HIS A 132
LEU A 244
LEU A 174
None
1.32A 1fm6D-3bn1A:
undetectable
1fm6D-3bn1A:
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.
1M9J_A_CLWA906_1
(ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE)
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides)
4 / 5 PRO A 275
VAL A 272
TYR A 288
MET A 287
None
1.38A 1m9jA-3bn1A:
0.0
1m9jA-3bn1A:
21.35
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.
1RB3_B_MTXB161_1
(DIHYDROFOLATE
REDUCTASE)
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides)
5 / 12 LEU A 244
SER A 171
LEU A 251
ILE A 187
THR A 190
None
None
None
LLP  A 186 ( 4.3A)
None
0.96A 1rb3B-3bn1A:
undetectable
1rb3B-3bn1A:
19.83
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.
1V54_W_CHDW4060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides)
4 / 7 ILE A 312
TYR A 261
THR A 289
LEU A 346
None
0.89A 1v54N-3bn1A:
undetectable
1v54W-3bn1A:
undetectable
1v54N-3bn1A:
21.12
1v54W-3bn1A:
11.24
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.
1V55_J_CHDJ3060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides)
4 / 7 ILE A 312
TYR A 261
THR A 289
LEU A 346
None
0.88A 1v55A-3bn1A:
undetectable
1v55J-3bn1A:
undetectable
1v55A-3bn1A:
21.12
1v55J-3bn1A:
11.24
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.
1V55_W_CHDW4060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides)
4 / 8 ILE A 312
TYR A 261
THR A 289
LEU A 346
None
0.90A 1v55N-3bn1A:
undetectable
1v55W-3bn1A:
undetectable
1v55N-3bn1A:
21.12
1v55W-3bn1A:
11.24
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_A_STRA1001_2
(MINERALOCORTICOID
RECEPTOR)
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides)
4 / 4 LEU A 112
LEU A  84
SER A  83
LEU A 335
None
0.95A 1ya3A-3bn1A:
undetectable
1ya3A-3bn1A:
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.
1ZGY_A_BRLA503_1
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides)
5 / 12 GLY A  50
CYH A  49
HIS A 132
LEU A 244
LEU A 174
None
1.34A 1zgyA-3bn1A:
undetectable
1zgyA-3bn1A:
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.
2DYR_W_CHDW1060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1)
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides)
4 / 7 ILE A 312
TYR A 261
THR A 289
LEU A 346
None
0.89A 2dyrN-3bn1A:
undetectable
2dyrW-3bn1A:
undetectable
2dyrN-3bn1A:
21.12
2dyrW-3bn1A:
11.24
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.
2EIJ_W_CHDW1060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1)
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides)
4 / 8 ILE A 312
TYR A 261
THR A 289
LEU A 346
None
0.91A 2eijN-3bn1A:
undetectable
2eijW-3bn1A:
undetectable
2eijN-3bn1A:
21.12
2eijW-3bn1A:
11.24
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.
2EIK_W_CHDW1060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1)
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides)
4 / 8 ILE A 312
TYR A 261
THR A 289
LEU A 346
None
0.92A 2eikN-3bn1A:
undetectable
2eikW-3bn1A:
undetectable
2eikN-3bn1A:
21.12
2eikW-3bn1A:
11.24
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.
2EIL_W_CHDW1060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1)
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides)
4 / 8 ILE A 312
TYR A 261
THR A 289
LEU A 346
None
0.90A 2eilN-3bn1A:
undetectable
2eilW-3bn1A:
undetectable
2eilN-3bn1A:
21.12
2eilW-3bn1A:
11.24
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.
2EIN_W_CHDW1060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1)
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides)
4 / 6 ILE A 312
TYR A 261
THR A 289
LEU A 346
None
0.89A 2einN-3bn1A:
undetectable
2einW-3bn1A:
undetectable
2einN-3bn1A:
21.12
2einW-3bn1A:
11.24
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.
2NYR_B_SVRB401_1
(NAD-DEPENDENT
DEACETYLASE
SIRTUIN-5)
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides)
5 / 12 ALA A 178
ALA A 158
PHE A 180
LEU A 251
TYR A  48
None
0.96A 2nyrA-3bn1A:
undetectable
2nyrA-3bn1A:
20.80
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.
2QMZ_A_LDPA501_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE)
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides)
4 / 7 GLY A  16
GLN A 243
ILE A 188
PHE A  41
None
1.02A 2qmzA-3bn1A:
undetectable
2qmzB-3bn1A:
undetectable
2qmzA-3bn1A:
20.63
2qmzB-3bn1A:
20.63
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.
2QX4_B_ML1B233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides)
4 / 7 GLY A  60
THR A  62
CYH A  57
PHE A  41
LLP  A 186 ( 3.4A)
None
None
None
1.09A 2qx4A-3bn1A:
undetectable
2qx4B-3bn1A:
undetectable
2qx4A-3bn1A:
20.63
2qx4B-3bn1A:
20.63
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.
2QX4_B_ML1B233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides)
4 / 7 GLY A  60
THR A  62
CYH A  57
PHE A  45
LLP  A 186 ( 3.4A)
None
None
None
1.16A 2qx4A-3bn1A:
undetectable
2qx4B-3bn1A:
undetectable
2qx4A-3bn1A:
20.63
2qx4B-3bn1A:
20.63
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.
2R3A_A_SAMA304_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV39H2)
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides)
5 / 12 ARG A 271
GLY A 269
LYS A 274
TYR A 288
LEU A 292
None
1.22A 2r3aA-3bn1A:
undetectable
2r3aA-3bn1A:
20.94
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.
3ABK_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides)
4 / 8 ILE A 312
TYR A 261
THR A 289
LEU A 346
None
0.91A 3abkA-3bn1A:
undetectable
3abkJ-3bn1A:
undetectable
3abkA-3bn1A:
21.12
3abkJ-3bn1A:
11.24
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.
3ABL_W_CHDW1060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides)
4 / 8 ILE A 312
TYR A 261
THR A 289
LEU A 346
None
0.90A 3ablN-3bn1A:
undetectable
3ablW-3bn1A:
undetectable
3ablN-3bn1A:
21.12
3ablW-3bn1A:
11.24
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.
3ABM_W_CHDW1060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides)
4 / 8 ILE A 312
TYR A 261
THR A 289
LEU A 346
None
0.87A 3abmN-3bn1A:
undetectable
3abmW-3bn1A:
undetectable
3abmN-3bn1A:
21.12
3abmW-3bn1A:
11.24
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.
3AG1_W_CHDW1059_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides)
4 / 6 ILE A 312
TYR A 261
THR A 289
LEU A 346
None
0.93A 3ag1N-3bn1A:
undetectable
3ag1W-3bn1A:
undetectable
3ag1N-3bn1A:
21.12
3ag1W-3bn1A:
11.24
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.
3AG3_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides)
4 / 7 ILE A 312
TYR A 261
THR A 289
LEU A 346
None
0.90A 3ag3A-3bn1A:
undetectable
3ag3J-3bn1A:
undetectable
3ag3A-3bn1A:
21.12
3ag3J-3bn1A:
11.24
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.
3AG3_W_CHDW1059_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides)
4 / 8 ILE A 312
TYR A 261
THR A 289
LEU A 346
None
0.87A 3ag3N-3bn1A:
undetectable
3ag3W-3bn1A:
undetectable
3ag3N-3bn1A:
21.12
3ag3W-3bn1A:
11.24
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.
3ASN_W_CHDW1059_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1)
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides)
4 / 8 ILE A 312
TYR A 261
THR A 289
LEU A 346
None
0.91A 3asnN-3bn1A:
undetectable
3asnW-3bn1A:
undetectable
3asnN-3bn1A:
21.12
3asnW-3bn1A:
11.24
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.
3DL9_B_V2HB602_0
(CYTOCHROME P450 2R1)
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides)
5 / 12 MET A 207
ALA A  54
ALA A  67
THR A 190
ILE A  38
None
1.17A 3dl9B-3bn1A:
undetectable
3dl9B-3bn1A:
22.88
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.
3G9E_A_RO7A1_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides)
5 / 12 GLY A  50
CYH A  49
HIS A 132
VAL A 247
LEU A 174
None
1.18A 3g9eA-3bn1A:
undetectable
3g9eA-3bn1A:
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.
3NU5_B_478B401_1
(PROTEASE)
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides)
5 / 12 LEU A 366
GLY A 259
VAL A 258
VAL A 362
ILE A 363
None
0.87A 3nu5A-3bn1A:
undetectable
3nu5A-3bn1A:
15.66
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.
3OXW_D_017D200_2
(HIV-1 PROTEASE)
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides)
5 / 10 LEU A 366
GLY A 259
VAL A 258
VAL A 362
ILE A 363
None
0.92A 3oxwD-3bn1A:
undetectable
3oxwD-3bn1A:
15.11
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.
3VYW_D_SAMD401_0
(MNMC2)
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides)
5 / 12 TYR A 166
GLY A 175
GLY A 172
ASN A 199
LEU A 144
None
1.22A 3vywD-3bn1A:
undetectable
3vywD-3bn1A:
20.50
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.
3WG7_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides)
4 / 6 ILE A 312
TYR A 261
THR A 289
LEU A 346
None
0.92A 3wg7N-3bn1A:
undetectable
3wg7W-3bn1A:
undetectable
3wg7N-3bn1A:
21.12
3wg7W-3bn1A:
11.24
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.
4IAQ_A_2GMA2001_2
(CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 1B AND E.
COLI SOLUBLE
CYTOCHROME B562)
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides)
4 / 6 ILE A 137
THR A 280
VAL A 162
ASP A 248
None
1.10A 4iaqA-3bn1A:
undetectable
4iaqA-3bn1A:
22.92
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.
4K50_A_ACTA505_0
(RNA POLYMERASE
3D-POL)
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides)
3 / 3 CYH A  49
ASN A 199
LYS A 169
None
1.40A 4k50A-3bn1A:
undetectable
4k50A-3bn1A:
22.27
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.
4KLR_B_CHDB504_0
(FERROCHELATASE,
MITOCHONDRIAL)
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides)
3 / 3 LEU A 348
PRO A 349
ARG A 267
None
0.75A 4klrB-3bn1A:
undetectable
4klrB-3bn1A:
20.32
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.
4M11_C_MXMC606_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides)
5 / 12 VAL A 290
ILE A 363
VAL A 362
LEU A 366
VAL A   9
None
0.76A 4m11C-3bn1A:
undetectable
4m11C-3bn1A:
19.64
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.
4M11_D_MXMD606_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides)
5 / 12 VAL A 290
ILE A 363
VAL A 362
LEU A 366
VAL A   9
None
0.77A 4m11D-3bn1A:
undetectable
4m11D-3bn1A:
19.64
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.
4UDA_A_DEXA1985_2
(MINERALOCORTICOID
RECEPTOR)
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides)
4 / 6 LEU A 174
PHE A 180
THR A 197
VAL A  51
None
1.00A 4udaA-3bn1A:
undetectable
4udaA-3bn1A:
21.17
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.
4X3U_B_SVRB102_1
(CHROMOBOX PROTEIN
HOMOLOG 7)
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides)
3 / 3 LYS A 187
ARG A 256
VAL A 257
LLP  A 186 ( 2.9A)
None
None
1.00A 4x3uA-3bn1A:
undetectable
4x3uB-3bn1A:
undetectable
4x3uA-3bn1A:
9.56
4x3uB-3bn1A:
9.56
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.
5B1A_J_CHDJ102_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides)
4 / 7 ILE A 312
TYR A 261
THR A 289
LEU A 346
None
0.95A 5b1aA-3bn1A:
undetectable
5b1aJ-3bn1A:
undetectable
5b1aA-3bn1A:
21.12
5b1aJ-3bn1A:
11.24
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.
5B3S_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides)
4 / 7 ILE A 312
TYR A 261
THR A 289
LEU A 346
None
0.93A 5b3sA-3bn1A:
undetectable
5b3sJ-3bn1A:
undetectable
5b3sA-3bn1A:
21.12
5b3sJ-3bn1A:
11.24
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.
5B3S_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides)
4 / 7 ILE A 312
TYR A 261
THR A 289
LEU A 346
None
0.93A 5b3sN-3bn1A:
undetectable
5b3sW-3bn1A:
undetectable
5b3sN-3bn1A:
21.12
5b3sW-3bn1A:
11.24
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.
5IY5_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides)
4 / 7 ILE A 312
TYR A 261
THR A 289
LEU A 346
None
0.92A 5iy5A-3bn1A:
undetectable
5iy5J-3bn1A:
undetectable
5iy5A-3bn1A:
21.12
5iy5J-3bn1A:
11.24
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.
5IY5_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides)
4 / 7 ILE A 312
TYR A 261
THR A 289
LEU A 346
None
0.94A 5iy5N-3bn1A:
undetectable
5iy5W-3bn1A:
undetectable
5iy5N-3bn1A:
21.12
5iy5W-3bn1A:
11.24
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.
5KVA_A_SAMA301_0
(CAFFEOYL-COA
O-METHYLTRANSFERASE)
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides)
5 / 12 THR A  61
GLU A 160
ALA A 164
ASP A 157
ALA A 158
LLP  A 186 ( 3.6A)
LLP  A 186 ( 3.4A)
None
LLP  A 186 ( 2.7A)
None
1.23A 5kvaA-3bn1A:
2.4
5kvaA-3bn1A:
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.
5XDQ_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides)
4 / 7 ILE A 312
TYR A 261
THR A 289
LEU A 346
None
0.89A 5xdqN-3bn1A:
undetectable
5xdqW-3bn1A:
undetectable
5xdqN-3bn1A:
21.12
5xdqW-3bn1A:
11.24
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.
5XDX_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT VIIA-HEART)
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides)
4 / 7 ILE A 312
TYR A 261
THR A 289
LEU A 346
None
0.92A 5xdxA-3bn1A:
undetectable
5xdxJ-3bn1A:
undetectable
5xdxA-3bn1A:
21.12
5xdxJ-3bn1A:
11.24
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.
5Z86_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides)
4 / 6 ILE A 312
TYR A 261
THR A 289
LEU A 346
None
0.93A 5z86N-3bn1A:
undetectable
5z86W-3bn1A:
undetectable
5z86N-3bn1A:
21.12
5z86W-3bn1A:
11.24
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.
5ZCO_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides)
4 / 6 ILE A 312
TYR A 261
THR A 289
LEU A 346
None
0.92A 5zcoN-3bn1A:
undetectable
5zcoW-3bn1A:
undetectable
5zcoN-3bn1A:
21.12
5zcoW-3bn1A:
11.24
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.
5ZCP_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides)
4 / 7 ILE A 312
TYR A 261
THR A 289
LEU A 346
None
0.95A 5zcpA-3bn1A:
undetectable
5zcpJ-3bn1A:
undetectable
5zcpA-3bn1A:
21.12
5zcpJ-3bn1A:
11.24
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.
5ZCP_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides)
4 / 8 ILE A 312
TYR A 261
THR A 289
LEU A 346
None
0.91A 5zcpN-3bn1A:
undetectable
5zcpW-3bn1A:
undetectable
5zcpN-3bn1A:
21.12
5zcpW-3bn1A:
11.24
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.
5ZCQ_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides)
4 / 7 ILE A 312
TYR A 261
THR A 289
LEU A 346
None
0.95A 5zcqA-3bn1A:
undetectable
5zcqJ-3bn1A:
undetectable
5zcqA-3bn1A:
21.12
5zcqJ-3bn1A:
11.24
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.
6BNI_A_ADNA602_1
(LYSINE--TRNA LIGASE)
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides)
5 / 10 ASN A  17
GLU A  24
ALA A 242
GLY A 240
ILE A 235
None
1.18A 6bniA-3bn1A:
undetectable
6bniA-3bn1A:
12.43
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.
6BNI_B_ADNB602_1
(LYSINE--TRNA LIGASE)
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides)
5 / 10 ASN A  17
GLU A  24
ALA A 242
GLY A 240
ILE A 235
None
1.17A 6bniB-3bn1A:
undetectable
6bniB-3bn1A:
12.43
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.
6NMF_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides)
4 / 7 ILE A 312
TYR A 261
THR A 289
LEU A 346
None
0.91A 6nmfA-3bn1A:
undetectable
6nmfJ-3bn1A:
undetectable
6nmfA-3bn1A:
21.12
6nmfJ-3bn1A:
11.24
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.
6NMP_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides)
4 / 7 ILE A 312
TYR A 261
THR A 289
LEU A 346
None
0.95A 6nmpA-3bn1A:
undetectable
6nmpJ-3bn1A:
undetectable
6nmpA-3bn1A:
21.12
6nmpJ-3bn1A:
11.24