SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3hrr'

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.
1MX1_A_THAA1_1
(LIVER
CARBOXYLESTERASE I)		 3hrr AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE
(Aspergillus
parasiticus) 		5 / 11 LEU A1622
GLY A1550
VAL A1524
LEU A1508
LEU A1620
 None
 1.02A 1mx1A-3hrrA:
undetectable		 1mx1A-3hrrA:
20.11
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.
1UUJ_B_ACTB1077_0
(PLATELET-ACTIVATING
FACTOR
ACETYLHYDROLASE IB
ALPHA SUBUNIT)		 3hrr AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE
(Aspergillus
parasiticus) 		3 / 3 ARG A1372
TYR A1368
LYS A1305
 None
 1.06A 1uujB-3hrrA:
0.5		 1uujB-3hrrA:
15.56
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.
2FK8_A_SAMA302_1
(METHOXY MYCOLIC ACID
SYNTHASE 4)		 3hrr AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE
(Aspergillus
parasiticus) 		3 / 3 SER A1356
THR A1309
GLN A1364
 None
 0.85A 2fk8A-3hrrA:
undetectable		 2fk8A-3hrrA:
19.41
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.
2VXA_B_RBFB200_1
(DODECIN)		 3hrr AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE
(Aspergillus
parasiticus) 		4 / 8 ARG A1618
GLN A1575
TYR A1577
ARG A1461
 None
 1.46A 2vxaA-3hrrA:
0.7
2vxaB-3hrrA:
0.7
2vxaK-3hrrA:
0.7		 2vxaA-3hrrA:
11.59
2vxaB-3hrrA:
11.59
2vxaK-3hrrA:
11.59
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.
2W3A_A_TOPA1190_1
(DIHYDROFOLATE
REDUCTASE)		 3hrr AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE
(Aspergillus
parasiticus) 		5 / 11 ILE A1545
ALA A1549
PHE A1617
THR A1354
THR A1590
 None
 1.24A 2w3aA-3hrrA:
undetectable		 2w3aA-3hrrA:
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.
2W3A_B_TOPB1189_1
(DIHYDROFOLATE
REDUCTASE)		 3hrr AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE
(Aspergillus
parasiticus) 		5 / 10 ILE A1545
ALA A1549
PHE A1617
THR A1354
THR A1590
 None
 1.22A 2w3aB-3hrrA:
undetectable		 2w3aB-3hrrA:
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.
2W3M_B_FOLB1188_0
(DIHYDROFOLATE
REDUCTASE)		 3hrr AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE
(Aspergillus
parasiticus) 		5 / 12 ILE A1545
ALA A1549
LEU A1622
PHE A1617
THR A1590
 None
 1.23A 2w3mB-3hrrA:
undetectable		 2w3mB-3hrrA:
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.
2YVL_C_SAMC604_0
(HYPOTHETICAL PROTEIN)		 3hrr AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE
(Aspergillus
parasiticus) 		5 / 12 THR A1331
ILE A1333
ALA A1342
LEU A1341
ASP A1337
 None
 1.26A 2yvlC-3hrrA:
undetectable		 2yvlC-3hrrA:
20.69
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.
3A25_A_SAMA279_0
(UNCHARACTERIZED
PROTEIN PH0793)		 3hrr AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE
(Aspergillus
parasiticus) 		5 / 12 ASN A1568
PHE A1357
GLY A1344
HIS A1345
ASP A1504
 None
None
None
HC8  A4000 (-3.5A)
None
 1.05A 3a25A-3hrrA:
undetectable		 3a25A-3hrrA:
23.43
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.
3CS9_C_NILC600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 3hrr AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE
(Aspergillus
parasiticus) 		5 / 9 LEU A1312
VAL A1329
VAL A1449
MET A1363
PHE A1431
 None
 1.34A 3cs9C-3hrrA:
undetectable		 3cs9C-3hrrA:
19.44
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.
3LW5_B_PQNB5002_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 3hrr AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE
(Aspergillus
parasiticus) 		5 / 10 ILE A1613
PHE A1526
SER A1531
ALA A1537
LEU A1580
 None
 1.31A 3lw5B-3hrrA:
undetectable		 3lw5B-3hrrA:
17.84
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.
3MZE_A_CFXA364_2
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACA)		 3hrr AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE
(Aspergillus
parasiticus) 		3 / 3 SER A1527
SER A1583
HIS A1538
 None
 0.74A 3mzeA-3hrrA:
0.9		 3mzeA-3hrrA:
22.30
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)		 3hrr AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE
(Aspergillus
parasiticus) 		5 / 9 ILE A1545
ALA A1549
LEU A1622
PHE A1617
THR A1590
 None
 1.17A 3tq8A-3hrrA:
undetectable		 3tq8A-3hrrA:
17.83
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.
3V3N_A_MIYA2001_1
(TETX2 PROTEIN)		 3hrr AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE
(Aspergillus
parasiticus) 		5 / 11 GLN A1547
HIS A1345
PHE A1526
GLY A1529
ASN A1582
 None
HC8  A4000 (-3.5A)
None
None
None
 1.46A 3v3nA-3hrrA:
undetectable		 3v3nA-3hrrA:
22.72
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.
3V3N_D_MIYD2001_1
(TETX2 PROTEIN)		 3hrr AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE
(Aspergillus
parasiticus) 		5 / 11 GLN A1547
HIS A1345
PHE A1526
GLY A1529
ASN A1582
 None
HC8  A4000 (-3.5A)
None
None
None
 1.46A 3v3nD-3hrrA:
undetectable		 3v3nD-3hrrA:
22.72
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.
4EIL_A_FOLA703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3hrr AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE
(Aspergillus
parasiticus) 		5 / 11 VAL A1588
ALA A1549
PHE A1617
LEU A1580
THR A1590
 None
 1.46A 4eilA-3hrrA:
undetectable		 4eilA-3hrrA:
20.45
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.
4G8Z_X_TOPX301_1
(DIHYDROFOLATE
REDUCTASE)		 3hrr AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE
(Aspergillus
parasiticus) 		5 / 10 ILE A1545
ALA A1549
LEU A1622
PHE A1617
THR A1590
 None
 1.21A 4g8zX-3hrrA:
undetectable		 4g8zX-3hrrA:
20.00
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.
4KM0_A_CP6A201_1
(DIHYDROFOLATE
REDUCTASE)		 3hrr AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE
(Aspergillus
parasiticus) 		5 / 10 ILE A1545
ALA A1549
PHE A1617
THR A1354
THR A1590
 None
 1.07A 4km0A-3hrrA:
undetectable		 4km0A-3hrrA:
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.
4KM0_B_CP6B201_1
(DIHYDROFOLATE
REDUCTASE)		 3hrr AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE
(Aspergillus
parasiticus) 		5 / 12 ILE A1545
ALA A1549
PHE A1617
THR A1354
THR A1590
 None
 1.05A 4km0B-3hrrA:
undetectable		 4km0B-3hrrA:
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.
4NKX_C_STRC601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 3hrr AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE
(Aspergillus
parasiticus) 		4 / 5 ILE A1471
ARG A1485
ASP A1509
VAL A1607
 None
 0.94A 4nkxC-3hrrA:
undetectable		 4nkxC-3hrrA:
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.
4NKX_D_STRD601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 3hrr AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE
(Aspergillus
parasiticus) 		4 / 5 ILE A1471
ARG A1485
ASP A1509
VAL A1607
 None
 0.98A 4nkxD-3hrrA:
undetectable		 4nkxD-3hrrA:
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.
4WH5_A_3QBA204_1
(LINCOSAMIDE
RESISTANCE PROTEIN)		 3hrr AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE
(Aspergillus
parasiticus) 		5 / 12 GLY A1523
ASP A1509
PHE A1551
ALA A1520
HIS A1475
 None
 1.31A 4wh5A-3hrrA:
undetectable		 4wh5A-3hrrA:
18.36
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.
5OY0_2_PQN2843_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 3hrr AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE
(Aspergillus
parasiticus) 		5 / 12 ILE A1613
PHE A1526
SER A1531
ALA A1537
LEU A1580
 None
 1.26A 5oy02-3hrrA:
undetectable		 5oy02-3hrrA:
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.
5VLM_E_CVIE301_1
(REGULATORY PROTEIN
TETR)		 3hrr AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE
(Aspergillus
parasiticus) 		4 / 7 GLN A1371
GLY A1366
GLN A1456
ASP A1360
 None
 1.11A 5vlmE-3hrrA:
undetectable		 5vlmE-3hrrA:
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.
5Z6F_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 3hrr AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE
(Aspergillus
parasiticus) 		5 / 12 ILE A1545
ALA A1549
PHE A1617
THR A1354
THR A1590
 None
 1.22A 5z6fA-3hrrA:
undetectable		 5z6fA-3hrrA:
19.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DH0_A_017A101_2
(PROTEASE)		 3hrr AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE
(Aspergillus
parasiticus) 		3 / 3 LEU A1528
ASP A1543
ILE A1545
 None
 0.58A 6dh0B-3hrrA:
undetectable		 6dh0B-3hrrA:
13.39
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.
6ECE_C_DVAC3010_0
(VLM2
DODECADEPSIPEPTIDE)		 3hrr AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE
(Aspergillus
parasiticus) 		3 / 3 ALA A1516
PHE A1483
GLN A1482
 None
 0.65A 6eceA-3hrrA:
undetectable		 6eceA-3hrrA:
21.07