SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2bb0'

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_A_DCFA353_1
(ADENOSINE DEAMINASE)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
5 / 12 HIS A  80
HIS A  82
HIS A 249
GLU A 252
ASP A 324
ZN  A1601 (-3.4A)
ZN  A1601 (-3.4A)
ZN  A1601 (-3.4A)
None
ZN  A1601 (-2.8A)
0.74A 1a4lA-2bb0A:
20.6
1a4lA-2bb0A:
21.04
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.
1A4L_C_DCFC1353_1
(ADENOSINE DEAMINASE)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
5 / 12 HIS A  80
HIS A  82
HIS A 249
GLU A 252
ASP A 324
ZN  A1601 (-3.4A)
ZN  A1601 (-3.4A)
ZN  A1601 (-3.4A)
None
ZN  A1601 (-2.8A)
0.67A 1a4lC-2bb0A:
20.4
1a4lC-2bb0A:
21.04
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.
1BX4_A_ADNA355_1
(PROTEIN (ADENOSINE
KINASE))
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
5 / 12 GLY A 257
ALA A 262
GLY A 263
ALA A 270
ILE A 248
None
0.93A 1bx4A-2bb0A:
2.2
1bx4A-2bb0A:
22.48
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.
1HPV_B_478B200_1
(HIV-1 PROTEASE)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
6 / 9 LEU A 374
GLY A 409
VAL A  48
ILE A   5
ILE A  65
ILE A  47
None
1.27A 1hpvA-2bb0A:
undetectable
1hpvA-2bb0A:
13.81
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.
1HWK_A_117A2_1
(HMG-COA REDUCTASE)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
4 / 8 ARG A  24
SER A  20
VAL A 359
ASP A  31
None
1.15A 1hwkA-2bb0A:
undetectable
1hwkA-2bb0A:
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.
1HWK_C_117C4_1
(HMG-COA REDUCTASE)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
4 / 8 ARG A  24
SER A  20
VAL A 359
ASP A  31
None
1.18A 1hwkC-2bb0A:
undetectable
1hwkC-2bb0A:
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.
1HWK_D_117D3_2
(HMG-COA REDUCTASE)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
4 / 8 ARG A  24
SER A  20
VAL A 359
ASP A  31
None
1.17A 1hwkD-2bb0A:
undetectable
1hwkD-2bb0A:
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.
1MXD_A_ACRA732_1
(ALPHA AMYLASE)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
5 / 9 GLY A 111
GLY A 328
GLY A  87
GLY A  86
ASP A 118
None
ACT  A1501 (-3.5A)
None
None
None
1.09A 1mxdA-2bb0A:
7.2
1mxdA-2bb0A:
21.93
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.
1MXG_A_ACRA442_1
(ALPHA AMYLASE)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
5 / 11 GLY A 111
GLY A 328
GLY A  87
GLY A  86
ASP A 118
None
ACT  A1501 (-3.5A)
None
None
None
1.12A 1mxgA-2bb0A:
7.1
1mxgA-2bb0A:
21.93
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.
1OHR_A_1UNA201_2
(ASPARTYLPROTEASE)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
5 / 9 LEU A 374
VAL A  48
ILE A   5
ILE A  65
ILE A  47
None
1.01A 1ohrB-2bb0A:
undetectable
1ohrB-2bb0A:
13.81
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.
1OQ5_A_CELA701_2
(CARBONIC ANHYDRASE
II)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
4 / 4 HIS A  80
VAL A 292
THR A 180
LEU A 246
ZN  A1601 (-3.4A)
None
None
None
1.46A 1oq5A-2bb0A:
undetectable
1oq5A-2bb0A:
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.
1ZGF_A_TRUA300_1
(CARBONIC ANHYDRASE
II)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
5 / 12 ASN A 400
VAL A 413
VAL A 412
THR A 144
THR A 143
None
1.31A 1zgfA-2bb0A:
undetectable
1zgfA-2bb0A:
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.
2IDW_B_017B401_1
(PROTEASE)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
6 / 11 LEU A 374
VAL A  48
ILE A   5
ILE A  65
ALA A  50
ILE A  47
None
1.06A 2idwA-2bb0A:
undetectable
2idwA-2bb0A:
14.29
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.
2NMZ_B_ROCB401_1
(PROTEASE)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
6 / 12 LEU A 374
GLY A 409
ILE A   5
ILE A  65
ALA A  50
ILE A  47
None
1.15A 2nmzA-2bb0A:
undetectable
2nmzA-2bb0A:
14.29
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.
2NMZ_B_ROCB401_3
(PROTEASE)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
6 / 12 LEU A 374
GLY A 409
ILE A   5
ILE A  65
ALA A  50
ILE A  47
None
1.20A 2nmzB-2bb0A:
undetectable
2nmzB-2bb0A:
14.29
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.
2PGR_A_DCFA501_1
(ADENOSINE DEAMINASE)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
5 / 12 HIS A  80
HIS A  82
HIS A 249
GLU A 252
ASP A 324
ZN  A1601 (-3.4A)
ZN  A1601 (-3.4A)
ZN  A1601 (-3.4A)
None
ZN  A1601 (-2.8A)
0.63A 2pgrA-2bb0A:
22.2
2pgrA-2bb0A:
24.18
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.
2PYN_A_1UNA1001_2
(PROTEASE RETROPEPSIN)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
5 / 12 LEU A 374
GLY A 409
VAL A  48
ILE A   5
ILE A  47
None
0.99A 2pynB-2bb0A:
undetectable
2pynB-2bb0A:
13.10
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.
2PYN_A_1UNA1001_2
(PROTEASE RETROPEPSIN)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
5 / 12 LEU A 374
VAL A  48
ILE A   5
ILE A  65
ILE A  47
None
0.92A 2pynB-2bb0A:
undetectable
2pynB-2bb0A:
13.10
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.
2Q63_A_1UNA1001_1
(PROTEASE RETROPEPSIN)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
6 / 12 LEU A 374
GLY A 409
VAL A  48
ILE A   5
ILE A  65
ILE A  47
None
1.11A 2q63A-2bb0A:
undetectable
2q63A-2bb0A:
13.10
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.
2Q63_A_1UNA1001_3
(PROTEASE RETROPEPSIN)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
5 / 12 LEU A 374
VAL A  48
ILE A   5
ILE A  65
ILE A  47
None
0.98A 2q63B-2bb0A:
undetectable
2q63B-2bb0A:
13.10
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.
2Q64_B_1UNB1001_3
(PROTEASE RETROPEPSIN)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
6 / 12 LEU A 374
GLY A 409
VAL A  48
ILE A   5
ILE A  65
ILE A  47
None
1.12A 2q64B-2bb0A:
undetectable
2q64B-2bb0A:
13.10
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.
2QAK_A_1UNA1001_3
(PROTEASE RETROPEPSIN)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
5 / 12 LEU A 374
VAL A  48
ILE A   5
ILE A  65
ILE A  47
None
0.90A 2qakB-2bb0A:
undetectable
2qakB-2bb0A:
13.10
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.
2Y7K_D_SALD1300_1
(LYSR-TYPE REGULATORY
PROTEIN)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
5 / 12 GLY A 328
GLY A 111
LEU A 106
HIS A 185
ILE A 112
ACT  A1501 (-3.5A)
None
None
None
ACT  A1501 (-4.5A)
1.07A 2y7kD-2bb0A:
undetectable
2y7kD-2bb0A:
20.19
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.
2ZJ0_A_2FAA500_1
(ADENOSYLHOMOCYSTEINA
SE)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
5 / 12 LEU A 103
GLU A 223
LEU A 301
HIS A 272
PHE A 221
None
1.18A 2zj0A-2bb0A:
2.1
2zj0A-2bb0A:
23.65
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.
3A51_E_VDYE6178_1
(VITAMIN D
HYDROXYLASE)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
5 / 12 ILE A 338
ILE A 353
ALA A 356
PRO A 295
LEU A 346
None
1.21A 3a51E-2bb0A:
undetectable
3a51E-2bb0A:
22.59
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.
3B0W_B_DGXB1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
5 / 12 LEU A 199
MET A 182
ALA A 184
LEU A 273
LEU A 294
None
1.36A 3b0wB-2bb0A:
undetectable
3b0wB-2bb0A:
19.72
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.
3CE6_A_ADNA500_1
(ADENOSYLHOMOCYSTEINA
SE)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
5 / 12 LEU A 103
GLU A 223
LEU A 301
HIS A 272
PHE A 221
None
1.17A 3ce6A-2bb0A:
undetectable
3ce6A-2bb0A:
23.73
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.
3CE6_C_ADNC500_1
(ADENOSYLHOMOCYSTEINA
SE)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
5 / 12 LEU A 103
GLU A 223
LEU A 301
HIS A 272
PHE A 221
None
1.15A 3ce6C-2bb0A:
undetectable
3ce6C-2bb0A:
23.73
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.
3CWK_A_REAA300_1
(CELLULAR RETINOIC
ACID-BINDING PROTEIN
2)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
5 / 12 LEU A 284
ALA A 270
ALA A 250
VAL A 229
THR A 222
None
1.14A 3cwkA-2bb0A:
undetectable
3cwkA-2bb0A:
15.90
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.
3EEO_A_SAMA328_0
(MODIFICATION
METHYLASE HHAI)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
5 / 12 PHE A 244
GLY A 366
ASP A 219
ILE A 209
LEU A 206
None
1.14A 3eeoA-2bb0A:
undetectable
3eeoA-2bb0A:
23.78
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.
3EKP_B_478B200_1
(PROTEASE)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
5 / 8 LEU A 374
GLY A 409
VAL A  48
ILE A  65
ILE A  47
None
1.11A 3ekpA-2bb0A:
undetectable
3ekpA-2bb0A:
12.14
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.
3EKP_B_478B200_2
(PROTEASE)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
5 / 10 LEU A 374
VAL A  48
ILE A  65
ALA A  50
ILE A  47
None
0.86A 3ekpB-2bb0A:
undetectable
3ekpB-2bb0A:
12.14
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.
3EKP_C_478C200_1
(PROTEASE)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
5 / 10 LEU A 374
VAL A  48
ILE A  65
ALA A  50
ILE A  47
None
0.88A 3ekpC-2bb0A:
undetectable
3ekpC-2bb0A:
12.14
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.
3EKQ_A_ROCA100_2
(PROTEASE)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
5 / 9 LEU A 374
VAL A  48
ILE A   5
ILE A  65
ILE A  47
None
1.13A 3ekqB-2bb0A:
undetectable
3ekqB-2bb0A:
13.53
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.
3EL0_A_1UNA201_2
(PROTEASE)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
6 / 9 LEU A 374
VAL A  48
ILE A   5
ILE A  10
ALA A  50
ILE A  47
None
1.27A 3el0B-2bb0A:
undetectable
3el0B-2bb0A:
12.14
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.
3EL0_A_1UNA201_2
(PROTEASE)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
6 / 9 LEU A 374
VAL A  48
ILE A   5
ILE A  65
ALA A  50
ILE A  47
None
1.08A 3el0B-2bb0A:
undetectable
3el0B-2bb0A:
12.14
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.
3K4V_D_ROCD201_1
(HIV-1 PROTEASE)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
5 / 12 LEU A 374
VAL A  48
ILE A   5
ILE A  65
ILE A  47
None
1.02A 3k4vC-2bb0A:
undetectable
3k4vC-2bb0A:
14.29
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.
3MWS_B_017B201_2
(HIV-1 PROTEASE)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
5 / 12 LEU A 374
VAL A  48
ILE A   5
ILE A  65
ILE A  47
None
1.04A 3mwsB-2bb0A:
undetectable
3mwsB-2bb0A:
13.78
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.
3NDU_D_ROCD100_1
(PROTEASE)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
5 / 12 LEU A 374
VAL A  48
ILE A   5
ILE A  65
ILE A  47
None
1.02A 3nduC-2bb0A:
undetectable
3nduC-2bb0A:
14.25
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.
3ONN_A_ACTA271_0
(PROTEIN SSM1)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
4 / 5 GLY A 368
LYS A 367
GLU A 370
GLY A 366
None
1.09A 3onnA-2bb0A:
undetectable
3onnA-2bb0A:
20.29
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.
3OU7_B_SAMB300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
5 / 12 TYR A  59
ALA A  50
GLY A  41
LEU A  15
ALA A 376
None
1.15A 3ou7B-2bb0A:
undetectable
3ou7B-2bb0A:
20.29
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.
3QPK_A_CUA602_0
(LACCASE-1)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
3 / 3 HIS A 249
HIS A  80
HIS A  82
ZN  A1601 (-3.4A)
ZN  A1601 (-3.4A)
ZN  A1601 (-3.4A)
0.52A 3qpkA-2bb0A:
undetectable
3qpkA-2bb0A:
21.72
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.
3QPK_B_CUB602_0
(LACCASE-1)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
3 / 3 HIS A 249
HIS A  80
HIS A  82
ZN  A1601 (-3.4A)
ZN  A1601 (-3.4A)
ZN  A1601 (-3.4A)
0.55A 3qpkB-2bb0A:
undetectable
3qpkB-2bb0A:
21.72
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.
4APJ_A_ACTA1635_0
(ANGIOTENSIN-CONVERTI
NG ENZYME
BRADYKININ-POTENTIAT
ING PEPTIDE B)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
4 / 6 HIS A  80
HIS A 272
ASP A 324
SER A 329
ZN  A1601 (-3.4A)
None
ZN  A1601 (-2.8A)
ACT  A1501 ( 3.9A)
1.32A 4apjA-2bb0A:
undetectable
4apjP-2bb0A:
undetectable
4apjA-2bb0A:
22.00
4apjP-2bb0A:
5.26
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.
4JEC_B_478B401_1
(HIV-1 PROTEASE)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
6 / 12 LEU A 374
GLY A 409
VAL A  48
ILE A   5
ILE A  65
ILE A  47
None
1.17A 4jecA-2bb0A:
undetectable
4jecA-2bb0A:
14.29
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_2
(HIV-1 PROTEASE)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
5 / 12 LEU A 374
VAL A  48
ILE A   5
ILE A  65
ILE A  47
None
0.99A 4jecB-2bb0A:
undetectable
4jecB-2bb0A:
14.29
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.
4JJK_A_FOLA601_0
(FORMATE--TETRAHYDROF
OLATE LIGASE)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
4 / 8 ALA A 186
PRO A 188
LEU A 106
TYR A 102
None
None
None
ACT  A1501 (-4.5A)
0.92A 4jjkA-2bb0A:
1.8
4jjkA-2bb0A:
23.64
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.
4KTV_C_ADNC403_1
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
5 / 11 SER A 232
ASP A 271
ILE A 248
ASP A 219
ILE A 220
None
1.45A 4ktvC-2bb0A:
undetectable
4ktvD-2bb0A:
undetectable
4ktvC-2bb0A:
24.03
4ktvD-2bb0A:
24.03
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.
4LVC_A_ADNA501_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE))
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
5 / 12 LEU A 103
GLU A 223
LEU A 301
HIS A 272
PHE A 221
None
1.35A 4lvcA-2bb0A:
undetectable
4lvcA-2bb0A:
22.52
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.
4LVC_C_ADNC501_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE))
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
5 / 12 LEU A 103
GLU A 223
LEU A 301
HIS A 272
PHE A 221
None
1.33A 4lvcC-2bb0A:
2.2
4lvcC-2bb0A:
22.52
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.
4O7G_A_ASCA303_0
(PROBABLE
TRANSMEMBRANE
ASCORBATE
FERRIREDUCTASE 2)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
4 / 7 PHE A 221
HIS A 185
ILE A 112
ARG A  89
None
None
ACT  A1501 (-4.5A)
ACT  A1501 (-3.1A)
1.04A 4o7gA-2bb0A:
undetectable
4o7gB-2bb0A:
undetectable
4o7gA-2bb0A:
20.66
4o7gB-2bb0A:
20.66
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.
4O7G_A_ASCA303_0
(PROBABLE
TRANSMEMBRANE
ASCORBATE
FERRIREDUCTASE 2)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
4 / 7 PHE A 221
HIS A 185
ILE A 112
TYR A 152
None
None
ACT  A1501 (-4.5A)
ACT  A1501 (-4.4A)
0.96A 4o7gA-2bb0A:
undetectable
4o7gB-2bb0A:
undetectable
4o7gA-2bb0A:
20.66
4o7gB-2bb0A:
20.66
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.
4PFJ_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
5 / 12 LEU A 103
GLU A 223
LEU A 301
HIS A 272
PHE A 221
None
1.30A 4pfjA-2bb0A:
2.1
4pfjA-2bb0A:
21.55
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.
4QVP_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
5 / 10 ALA A 262
ALA A 267
THR A 276
GLY A 257
ALA A 250
None
1.05A 4qvpK-2bb0A:
undetectable
4qvpL-2bb0A:
undetectable
4qvpK-2bb0A:
18.93
4qvpL-2bb0A:
19.33
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.
4QVP_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
5 / 10 ALA A 262
ALA A 267
THR A 276
GLY A 257
ALA A 250
None
1.04A 4qvpY-2bb0A:
undetectable
4qvpZ-2bb0A:
undetectable
4qvpY-2bb0A:
18.93
4qvpZ-2bb0A:
19.33
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.
4ZJZ_B_BEZB601_0
(BENZOATE-COENZYME A
LIGASE)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
5 / 8 ALA A 186
PRO A 188
VAL A 116
ALA A 184
GLY A 183
None
1.47A 4zjzB-2bb0A:
undetectable
4zjzB-2bb0A:
23.57
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.
5AJQ_A_DB8A800_2
(SERINE/THREONINE-PRO
TEIN KINASE 10)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
4 / 4 VAL A 268
ILE A 365
ASN A 360
VAL A 292
None
1.26A 5ajqA-2bb0A:
undetectable
5ajqA-2bb0A:
21.23
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.
5AXA_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
5 / 12 LEU A 103
GLU A 223
LEU A 301
HIS A 272
PHE A 221
None
1.34A 5axaA-2bb0A:
2.2
5axaA-2bb0A:
23.44
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.
5AXA_C_ADNC502_1
(ADENOSYLHOMOCYSTEINA
SE)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
5 / 12 LEU A 103
GLU A 223
LEU A 301
HIS A 272
PHE A 221
None
1.34A 5axaC-2bb0A:
2.3
5axaC-2bb0A:
23.44
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.
5DB5_A_CYSA503_0
(CYSTEINE DESULFURASE)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
4 / 8 ALA A 322
HIS A  82
HIS A 272
THR A 297
None
ZN  A1601 (-3.4A)
None
None
1.22A 5db5A-2bb0A:
undetectable
5db5B-2bb0A:
undetectable
5db5A-2bb0A:
22.22
5db5B-2bb0A:
22.22
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.
5IFU_A_GBMA801_1
(PROLINE--TRNA LIGASE)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
5 / 12 LEU A   9
GLU A  63
THR A   7
ILE A  42
GLY A 409
None
1.26A 5ifuA-2bb0A:
undetectable
5ifuA-2bb0A:
21.39
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.
5IFU_B_GBMB801_1
(PROLINE--TRNA LIGASE)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
5 / 9 LEU A   9
GLU A  63
THR A   7
ILE A  42
GLY A 409
None
1.32A 5ifuB-2bb0A:
undetectable
5ifuB-2bb0A:
21.39
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.
5KB6_A_ADNA401_1
(ADENOSINE KINASE)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
5 / 12 GLY A 257
ALA A 262
GLY A 263
ALA A 270
ILE A 248
None
0.88A 5kb6A-2bb0A:
undetectable
5kb6A-2bb0A:
22.45
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.
5KB6_B_ADNB401_1
(ADENOSINE KINASE)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
5 / 12 GLY A 257
ALA A 262
GLY A 263
ALA A 270
ILE A 248
None
0.89A 5kb6B-2bb0A:
undetectable
5kb6B-2bb0A:
22.45
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.
5KMF_A_6U9A1301_1
(ION TRANSPORT
PROTEIN)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
4 / 6 THR A 158
GLY A 153
GLU A 155
ILE A 187
None
0.73A 5kmfA-2bb0A:
undetectable
5kmfC-2bb0A:
undetectable
5kmfA-2bb0A:
19.48
5kmfC-2bb0A:
19.48
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.
5KQX_A_ROCA101_2
(PROTEASE E35D-SQV)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
5 / 9 LEU A 374
VAL A  48
ILE A   5
ILE A  65
ILE A  47
None
1.13A 5kqxB-2bb0A:
undetectable
5kqxB-2bb0A:
14.05
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.
5M5K_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
5 / 12 LEU A 103
GLU A 223
LEU A 301
HIS A 272
PHE A 221
None
1.33A 5m5kA-2bb0A:
2.1
5m5kA-2bb0A:
22.52
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.
5MIG_A_CUA601_0
(LACCASE 2)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
3 / 3 HIS A 249
HIS A  80
HIS A  82
ZN  A1601 (-3.4A)
ZN  A1601 (-3.4A)
ZN  A1601 (-3.4A)
0.46A 5migA-2bb0A:
undetectable
5migA-2bb0A:
21.80
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.
5UC1_B_486B801_1
(GLUCOCORTICOID
RECEPTOR)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
3 / 3 TRP A 354
MET A 391
ASN A 389
None
1.50A 5uc1A-2bb0A:
undetectable
5uc1A-2bb0A:
11.17
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.
5V96_A_ADNA502_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
5 / 12 LEU A 103
GLU A 223
LEU A 301
HIS A 272
PHE A 221
None
1.34A 5v96A-2bb0A:
2.0
5v96A-2bb0A:
24.49
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.
5V96_B_ADNB502_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
5 / 12 LEU A 103
GLU A 223
LEU A 301
HIS A 272
PHE A 221
None
1.32A 5v96B-2bb0A:
2.1
5v96B-2bb0A:
24.49
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.
5V96_C_ADNC502_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
5 / 12 LEU A 103
GLU A 223
LEU A 301
HIS A 272
PHE A 221
None
1.32A 5v96C-2bb0A:
2.0
5v96C-2bb0A:
24.49
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.
5V96_D_ADND502_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
5 / 12 LEU A 103
GLU A 223
LEU A 301
HIS A 272
PHE A 221
None
1.32A 5v96D-2bb0A:
2.0
5v96D-2bb0A:
24.49
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.
5VLM_C_CVIC301_1
(REGULATORY PROTEIN
TETR)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
4 / 7 GLN A 162
GLY A 183
ILE A 112
GLN A 192
None
None
ACT  A1501 (-4.5A)
None
1.12A 5vlmC-2bb0A:
undetectable
5vlmC-2bb0A:
20.43
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.
6B6A_C_9F2C302_1
(BETA-LACTAMASE)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
5 / 9 TYR A 306
THR A 298
ILE A 341
PRO A 295
THR A 332
None
1.30A 6b6aC-2bb0A:
undetectable
6b6aD-2bb0A:
0.0
6b6aC-2bb0A:
13.21
6b6aD-2bb0A:
13.21
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.
6C71_A_NCTA501_1
(AMINE OXIDASE)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
5 / 10 LEU A  71
TYR A 390
THR A  73
TRP A 354
ALA A 350
None
1.49A 6c71A-2bb0A:
0.0
6c71A-2bb0A:
11.19
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.
6DIF_B_TPVB201_1
(HIV-1 PROTEASE)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
6 / 12 LEU A 374
GLY A 409
VAL A  48
ILE A   5
ILE A  65
ILE A  47
None
1.18A 6difB-2bb0A:
undetectable
6difB-2bb0A:
12.92
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.
6DIL_B_TPVB201_1
(HIV-1 PROTEASE)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
6 / 12 LEU A 374
GLY A 409
VAL A  48
ILE A   5
ILE A  65
ILE A  47
None
1.11A 6dilB-2bb0A:
undetectable
6dilB-2bb0A:
13.16
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.
6DWD_C_GLYC713_0
(DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
3 / 3 GLN A  14
TYR A 390
ASN A 389
None
1.06A 6dwdC-2bb0A:
undetectable
6dwdC-2bb0A:
23.12
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.
6FBP_B_ADNB404_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
5 / 12 ILE A 248
ASP A 219
ILE A 220
SER A 232
ASP A 271
None
1.46A 6fbpA-2bb0A:
undetectable
6fbpB-2bb0A:
undetectable
6fbpA-2bb0A:
12.18
6fbpB-2bb0A:
12.18
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.
6GBN_A_ADNA501_1
(-)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
5 / 12 LEU A 103
GLU A 223
LEU A 301
HIS A 272
PHE A 221
None
1.34A 6gbnA-2bb0A:
undetectable
6gbnA-2bb0A:
24.90
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.
6GBN_C_ADNC501_1
(-)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
5 / 12 LEU A 103
GLU A 223
LEU A 301
HIS A 272
PHE A 221
None
1.33A 6gbnC-2bb0A:
undetectable
6gbnC-2bb0A:
24.90
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.
6GBN_D_ADND501_1
(-)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
5 / 12 LEU A 103
GLU A 223
LEU A 301
HIS A 272
PHE A 221
None
1.34A 6gbnD-2bb0A:
undetectable
6gbnD-2bb0A:
24.90
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.
6GTQ_A_ACTA205_0
(N-ACETYLTRANSFERASE)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
4 / 4 ALA A 262
ALA A 267
ALA A 270
ALA A 250
None
0.83A 6gtqA-2bb0A:
1.9
6gtqB-2bb0A:
0.8
6gtqA-2bb0A:
20.37
6gtqB-2bb0A:
20.37
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.
6GTQ_A_ACTA205_0
(N-ACETYLTRANSFERASE)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
4 / 4 ALA A 270
ALA A 250
ALA A 262
ALA A 267
None
0.85A 6gtqA-2bb0A:
1.9
6gtqB-2bb0A:
0.8
6gtqA-2bb0A:
20.37
6gtqB-2bb0A:
20.37
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.
6HD4_B_STIB602_1
(TYROSINE-PROTEIN
KINASE ABL1)
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis)
5 / 6 LEU A 163
VAL A  77
PHE A 181
MET A 182
GLY A 151
None
1.45A 6hd4B-2bb0A:
undetectable
6hd4B-2bb0A:
12.47