SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4q1j'

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.
1Q97_B_ADNB486_1
(SR PROTEIN KINASE)		 4q1j POLYKETIDE
BIOSYNTHESIS
ENOYL-COA ISOMERASE
PKSI
(Bacillus
subtilis) 		4 / 4 VAL A   6
ALA A  40
LEU A  89
PHE A  41
 None
 1.18A 1q97B-4q1jA:
undetectable		 1q97B-4q1jA:
21.73
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.
1RU9_H_BEZH601_0
(IMMUNOGLOBULIN
IGG2A, HEAVY CHAIN
IMMUNOGLOBULIN
IGG2A, LIGHT CHAIN)		 4q1j POLYKETIDE
BIOSYNTHESIS
ENOYL-COA ISOMERASE
PKSI
(Bacillus
subtilis) 		5 / 9 LEU A 114
GLY A 113
PHE A  62
GLY A 105
TYR A 127
 None
 1.07A 1ru9H-4q1jA:
undetectable
1ru9L-4q1jA:
undetectable		 1ru9H-4q1jA:
22.30
1ru9L-4q1jA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RUA_H_BEZH601_0
(IMMUNOGLOBULIN
IGG2A, HEAVY CHAIN
IMMUNOGLOBULIN
IGG2A, LIGHT CHAIN)		 4q1j POLYKETIDE
BIOSYNTHESIS
ENOYL-COA ISOMERASE
PKSI
(Bacillus
subtilis) 		5 / 10 LEU A 114
GLY A 113
PHE A  62
GLY A 105
TYR A 127
 None
 1.05A 1ruaH-4q1jA:
undetectable
1ruaL-4q1jA:
undetectable		 1ruaH-4q1jA:
22.30
1ruaL-4q1jA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YKI_A_NFZA1219_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 4q1j POLYKETIDE
BIOSYNTHESIS
ENOYL-COA ISOMERASE
PKSI
(Bacillus
subtilis) 		4 / 8 ASN A 130
LYS A 133
GLY A 107
THR A  67
 None
 1.08A 1ykiA-4q1jA:
undetectable
1ykiB-4q1jA:
undetectable		 1ykiA-4q1jA:
22.46
1ykiB-4q1jA:
22.46
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.
2BR4_F_SAMF301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 4q1j POLYKETIDE
BIOSYNTHESIS
ENOYL-COA ISOMERASE
PKSI
(Bacillus
subtilis) 		5 / 12 LEU A  37
LEU A  89
GLY A 113
ALA A  99
ALA A 100
 None
 1.00A 2br4F-4q1jA:
undetectable		 2br4F-4q1jA:
21.91
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.
3E9R_A_ACTA700_0
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 4q1j POLYKETIDE
BIOSYNTHESIS
ENOYL-COA ISOMERASE
PKSI
(Bacillus
subtilis) 		4 / 6 GLY A 107
TYR A 134
GLY A  65
ASN A 130
 None
 1.07A 3e9rA-4q1jA:
undetectable		 3e9rA-4q1jA:
23.81
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.
3E9R_A_ACTA700_0
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 4q1j POLYKETIDE
BIOSYNTHESIS
ENOYL-COA ISOMERASE
PKSI
(Bacillus
subtilis) 		4 / 6 GLY A 107
TYR A 134
GLY A  66
ASN A 130
 None
 0.87A 3e9rA-4q1jA:
undetectable		 3e9rA-4q1jA:
23.81
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.
3E9R_C_ACTC700_0
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 4q1j POLYKETIDE
BIOSYNTHESIS
ENOYL-COA ISOMERASE
PKSI
(Bacillus
subtilis) 		4 / 6 GLY A 107
TYR A 134
GLY A  66
ASN A 130
 None
 0.91A 3e9rC-4q1jA:
undetectable		 3e9rC-4q1jA:
23.81
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.
3HY7_A_097A801_1
(A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 5)		 4q1j POLYKETIDE
BIOSYNTHESIS
ENOYL-COA ISOMERASE
PKSI
(Bacillus
subtilis) 		5 / 9 LEU A  33
HIS A   3
GLU A  32
ILE A  38
LEU A  37
 None
 1.20A 3hy7A-4q1jA:
undetectable		 3hy7A-4q1jA:
20.83
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.
3KO0_E_TFPE201_1
(PROTEIN S100-A4)		 4q1j POLYKETIDE
BIOSYNTHESIS
ENOYL-COA ISOMERASE
PKSI
(Bacillus
subtilis) 		4 / 7 PHE A  81
GLY A 141
MET A 229
PHE A 136
 None
 1.07A 3ko0D-4q1jA:
undetectable
3ko0E-4q1jA:
undetectable		 3ko0D-4q1jA:
17.42
3ko0E-4q1jA:
17.42
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.
3KO0_L_TFPL201_1
(PROTEIN S100-A4)		 4q1j POLYKETIDE
BIOSYNTHESIS
ENOYL-COA ISOMERASE
PKSI
(Bacillus
subtilis) 		4 / 7 GLY A 163
MET A 140
PHE A 144
PHE A 115
 EDO  A 303 ( 4.4A)
None
None
None
 1.14A 3ko0L-4q1jA:
undetectable
3ko0N-4q1jA:
undetectable		 3ko0L-4q1jA:
17.42
3ko0N-4q1jA:
17.42
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.
3KO0_T_TFPT201_1
(PROTEIN S100-A4)		 4q1j POLYKETIDE
BIOSYNTHESIS
ENOYL-COA ISOMERASE
PKSI
(Bacillus
subtilis) 		4 / 7 GLY A 163
MET A 140
PHE A 144
PHE A 115
 EDO  A 303 ( 4.4A)
None
None
None
 1.13A 3ko0R-4q1jA:
undetectable
3ko0T-4q1jA:
undetectable		 3ko0R-4q1jA:
17.42
3ko0T-4q1jA:
17.42
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.
3TBG_C_RTZC1_1
(CYTOCHROME P450 2D6)		 4q1j POLYKETIDE
BIOSYNTHESIS
ENOYL-COA ISOMERASE
PKSI
(Bacillus
subtilis) 		5 / 12 LEU A 170
PHE A 177
LEU A 114
GLY A 163
PHE A 131
 None
None
None
EDO  A 303 ( 4.4A)
None
 1.20A 3tbgC-4q1jA:
undetectable		 3tbgC-4q1jA:
21.77
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.
4FGJ_A_1PQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 4q1j POLYKETIDE
BIOSYNTHESIS
ENOYL-COA ISOMERASE
PKSI
(Bacillus
subtilis) 		5 / 9 GLY A 108
GLY A 107
ASN A 130
PHE A 234
ILE A  74
 None
 1.36A 4fgjA-4q1jA:
undetectable
4fgjB-4q1jA:
undetectable		 4fgjA-4q1jA:
23.24
4fgjB-4q1jA:
23.24
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.
4RKU_A_PQNA5001_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		 4q1j POLYKETIDE
BIOSYNTHESIS
ENOYL-COA ISOMERASE
PKSI
(Bacillus
subtilis) 		4 / 8 MET A  20
ALA A  90
LEU A  89
PHE A 234
 None
 1.01A 4rkuA-4q1jA:
undetectable
4rkuJ-4q1jA:
undetectable		 4rkuA-4q1jA:
15.98
4rkuJ-4q1jA:
10.57
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.
4XJ7_A_ADNA303_1
(5'/3'-NUCLEOTIDASE
SURE)		 4q1j POLYKETIDE
BIOSYNTHESIS
ENOYL-COA ISOMERASE
PKSI
(Bacillus
subtilis) 		5 / 10 GLY A 167
TYR A 165
ALA A 129
LEU A 170
LEU A 121
 None
EDO  A 303 (-4.8A)
None
None
None
 1.16A 4xj7A-4q1jA:
undetectable
4xj7B-4q1jA:
undetectable		 4xj7A-4q1jA:
24.84
4xj7B-4q1jA:
24.84
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.
5CDN_P_EVPP2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)		 4q1j POLYKETIDE
BIOSYNTHESIS
ENOYL-COA ISOMERASE
PKSI
(Bacillus
subtilis) 		4 / 6 SER A  30
GLU A  32
GLY A 103
GLY A  57
 None
 0.95A 5cdnT-4q1jA:
undetectable
5cdnU-4q1jA:
undetectable		 5cdnT-4q1jA:
20.55
5cdnU-4q1jA:
22.71
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.
5H4D_A_BBIA403_1
(NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-3,
MITOCHONDRIAL)		 4q1j POLYKETIDE
BIOSYNTHESIS
ENOYL-COA ISOMERASE
PKSI
(Bacillus
subtilis) 		4 / 6 ARG A 123
GLU A 171
GLU A 184
VAL A 185
 None
 1.26A 5h4dA-4q1jA:
undetectable		 5h4dA-4q1jA:
24.68
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.
5Z3J_A_NCAA302_0
(ABRIN A-CHAIN)		 4q1j POLYKETIDE
BIOSYNTHESIS
ENOYL-COA ISOMERASE
PKSI
(Bacillus
subtilis) 		4 / 6 VAL A 146
TYR A 165
ILE A 158
GLU A 157
 None
EDO  A 303 (-4.8A)
None
EDO  A 303 ( 4.6A)
 0.93A 5z3jA-4q1jA:
undetectable		 5z3jA-4q1jA:
22.70
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.
6CDU_A_EY4A502_0
(CHIMERIC ALPHA1GABAA
RECEPTOR)		 4q1j POLYKETIDE
BIOSYNTHESIS
ENOYL-COA ISOMERASE
PKSI
(Bacillus
subtilis) 		4 / 7 ALA A 129
THR A 128
TYR A 127
VAL A 111
 None
 0.91A 6cduA-4q1jA:
undetectable
6cduE-4q1jA:
undetectable		 6cduA-4q1jA:
21.16
6cduE-4q1jA:
21.16
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.
6CDU_H_EY4H500_0
(CHIMERIC ALPHA1GABAA
RECEPTOR)		 4q1j POLYKETIDE
BIOSYNTHESIS
ENOYL-COA ISOMERASE
PKSI
(Bacillus
subtilis) 		4 / 7 VAL A 111
ALA A 129
THR A 128
TYR A 127
 None
 0.94A 6cduH-4q1jA:
undetectable
6cduI-4q1jA:
undetectable		 6cduH-4q1jA:
21.16
6cduI-4q1jA:
21.16
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.
6N7F_A_RBFA502_0
(PUTATIVE GLUTATHIONE
REDUCTASE (GR))		 4q1j POLYKETIDE
BIOSYNTHESIS
ENOYL-COA ISOMERASE
PKSI
(Bacillus
subtilis) 		4 / 7 GLY A 107
HIS A  25
GLU A  69
GLY A  70
 None
 0.97A 6n7fA-4q1jA:
undetectable		 6n7fA-4q1jA:
19.91
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.
6N7F_A_RBFA502_0
(PUTATIVE GLUTATHIONE
REDUCTASE (GR))		 4q1j POLYKETIDE
BIOSYNTHESIS
ENOYL-COA ISOMERASE
PKSI
(Bacillus
subtilis) 		4 / 7 GLY A 108
HIS A  25
GLU A  69
GLY A  70
 None
 0.92A 6n7fA-4q1jA:
undetectable		 6n7fA-4q1jA:
19.91