SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3ils'

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.
1DG5_A_TOPA201_1
(DIHYDROFOLATE
REDUCTASE)		 3ils AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE
(Aspergillus
parasiticus) 		5 / 11 ALA A2086
SER A1883
LEU A1884
PRO A1885
ILE A1963
 None
 0.89A 1dg5A-3ilsA:
undetectable		 1dg5A-3ilsA:
21.51
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.
1DX6_A_GNTA602_1
(ACETYLCHOLINESTERASE)		 3ils AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE
(Aspergillus
parasiticus) 		6 / 12 GLY A1939
GLY A1874
SER A1937
PHE A2010
PHE A2089
HIS A2088
 None
 1.28A 1dx6A-3ilsA:
10.1		 1dx6A-3ilsA:
19.66
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.
1MX1_F_THAF6_1
(LIVER
CARBOXYLESTERASE I)		 3ils AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE
(Aspergillus
parasiticus) 		5 / 12 GLY A1874
SER A1937
VAL A2014
PHE A2056
HIS A2088
 None
 1.04A 1mx1F-3ilsA:
10.5		 1mx1F-3ilsA:
20.27
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.
1W76_A_GNTA1538_1
(ACETYLCHOLINESTERASE)		 3ils AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE
(Aspergillus
parasiticus) 		5 / 11 GLY A1874
SER A1937
PHE A2010
PHE A2089
HIS A2088
 None
 1.23A 1w76A-3ilsA:
9.9		 1w76A-3ilsA:
19.66
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.
2BDM_A_TMIA501_1
(CYTOCHROME P450 2B4)		 3ils AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE
(Aspergillus
parasiticus) 		4 / 7 LEU A1871
PHE A1942
GLY A1940
ILE A2100
 None
 1.09A 2bdmA-3ilsA:
undetectable		 2bdmA-3ilsA:
20.72
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.
2QQC_E_AG2E671_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE (EC
4.1.1.19) (PVLARGDC))		 3ils AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE
(Aspergillus
parasiticus) 		4 / 7 ILE A1962
LEU A1868
LEU A1871
GLY A1939
 None
 0.92A 2qqcD-3ilsA:
undetectable
2qqcE-3ilsA:
undetectable		 2qqcD-3ilsA:
18.11
2qqcE-3ilsA:
11.67
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.
3EM4_V_DR7V100_2
(PROTEASE)		 3ils AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE
(Aspergillus
parasiticus) 		6 / 10 ILE A1963
GLY A1935
GLY A1934
LEU A1933
VAL A2107
ILE A2104
 None
 1.12A 3em4V-3ilsA:
undetectable		 3em4V-3ilsA:
18.15
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.
3FRQ_B_ERYB195_1
(REPRESSOR PROTEIN
MPHR(A))		 3ils AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE
(Aspergillus
parasiticus) 		4 / 7 TYR A2020
ASN A1952
HIS A2026
ALA A2023
 None
 1.20A 3frqB-3ilsA:
0.1		 3frqB-3ilsA:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3O9M_B_BEZB999_0
(CHOLINESTERASE)		 3ils AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE
(Aspergillus
parasiticus) 		4 / 6 GLY A1874
SER A1937
LEU A1974
HIS A2088
 None
 0.78A 3o9mB-3ilsA:
10.1		 3o9mB-3ilsA:
17.76
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.
3PGH_A_FLPA701_1
(CYCLOOXYGENASE-2)		 3ils AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE
(Aspergillus
parasiticus) 		5 / 12 VAL A1957
LEU A2025
GLY A1940
ALA A1943
LEU A1960
 None
 1.28A 3pghA-3ilsA:
undetectable		 3pghA-3ilsA:
18.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UY4_A_PAUA302_0
(PANTOTHENATE
SYNTHETASE)		 3ils AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE
(Aspergillus
parasiticus) 		4 / 8 HIS A2009
VAL A2013
VAL A2016
ASP A1873
 None
 1.13A 3uy4A-3ilsA:
undetectable		 3uy4A-3ilsA:
19.54
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.
4AF0_A_MOAA1526_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		 3ils AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE
(Aspergillus
parasiticus) 		4 / 8 ASP A1890
SER A1889
GLY A1859
GLN A1858
 None
 0.96A 4af0A-3ilsA:
undetectable		 4af0A-3ilsA:
17.96
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.
4JVL_A_ESTA702_1
(ESTROGEN
SULFOTRANSFERASE)		 3ils AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE
(Aspergillus
parasiticus) 		4 / 9 TYR A1979
PHE A2089
CYH A1982
ILE A2058
 None
 1.03A 4jvlA-3ilsA:
undetectable		 4jvlA-3ilsA:
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.
4NKV_B_AERB601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 3ils AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE
(Aspergillus
parasiticus) 		5 / 12 LEU A1868
ALA A1943
ILE A2104
ILE A2100
GLY A2034
 None
 0.93A 4nkvB-3ilsA:
undetectable		 4nkvB-3ilsA:
20.51
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.
4NKV_C_AERC601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 3ils AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE
(Aspergillus
parasiticus) 		5 / 12 LEU A1868
ALA A1943
ILE A2104
ILE A2100
GLY A2034
 None
 0.90A 4nkvC-3ilsA:
undetectable		 4nkvC-3ilsA:
20.51
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.
4NKV_D_AERD601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 3ils AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE
(Aspergillus
parasiticus) 		5 / 12 LEU A1868
ALA A1943
ILE A2104
ILE A2100
GLY A2034
 None
 0.90A 4nkvD-3ilsA:
undetectable		 4nkvD-3ilsA:
20.51
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.
4QTU_B_SAMB301_0
(PUTATIVE
METHYLTRANSFERASE
BUD23)		 3ils AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE
(Aspergillus
parasiticus) 		5 / 12 GLY A1940
GLY A1934
MET A1870
ILE A2035
TRP A1936
 None
 1.06A 4qtuB-3ilsA:
undetectable		 4qtuB-3ilsA:
20.88
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.
4QTU_D_SAMD301_0
(PUTATIVE
METHYLTRANSFERASE
BUD23)		 3ils AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE
(Aspergillus
parasiticus) 		5 / 12 GLY A1940
GLY A1934
MET A1870
ILE A2035
TRP A1936
 None
 1.09A 4qtuD-3ilsA:
undetectable		 4qtuD-3ilsA:
20.88
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.
4WNW_A_RTZA602_1
(CYTOCHROME P450 2D6)		 3ils AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE
(Aspergillus
parasiticus) 		5 / 12 GLY A1934
LEU A1933
SER A1959
VAL A1957
PHE A1869
 None
 1.14A 4wnwA-3ilsA:
undetectable		 4wnwA-3ilsA:
18.99
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.
4XOY_A_DX4A401_0
(MITOGEN-ACTIVATED
PROTEIN KINASE 1)		 3ils AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE
(Aspergillus
parasiticus) 		4 / 6 ALA A1943
LEU A1871
MET A1870
LEU A1868
 None
 1.03A 4xoyA-3ilsA:
undetectable		 4xoyA-3ilsA:
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.
5VLM_B_CVIB301_0
(REGULATORY PROTEIN
TETR)		 3ils AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE
(Aspergillus
parasiticus) 		5 / 12 MET A1870
ALA A1882
SER A1880
ILE A1963
VAL A2097
 None
 1.25A 5vlmB-3ilsA:
undetectable		 5vlmB-3ilsA:
23.72
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.
5X1B_C_CHDC304_0
(CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ils AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE
(Aspergillus
parasiticus) 		3 / 3 ARG A2106
PHE A2078
LEU A2103
 None
 0.92A 5x1bC-3ilsA:
undetectable		 5x1bC-3ilsA:
20.42
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.
6GIQ_T_PCFT101_0
(CYTOCHROME B-C1
COMPLEX SUBUNIT 1,
MITOCHONDRIAL
CYTOCHROME B-C1
COMPLEX SUBUNIT 9
CYTOCHROME B-C1
COMPLEX SUBUNIT
RIESKE,
MITOCHONDRIAL)		 3ils AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE
(Aspergillus
parasiticus) 		4 / 8 ASP A2105
SER A1889
GLY A1895
SER A1854
 None
 1.05A 6giqL-3ilsA:
undetectable
6giqP-3ilsA:
undetectable
6giqT-3ilsA:
undetectable		 6giqL-3ilsA:
20.04
6giqP-3ilsA:
22.35
6giqT-3ilsA:
15.14