SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2j1n'

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.
1BU5_A_RBFA301_1
(PROTEIN (FLAVODOXIN))		 2j1n OUTER MEMBRANE
PROTEIN C
(Escherichia
coli) 		4 / 7 THR A 166
ASN A 153
GLY A 177
ASP A 178
 None
 1.04A 1bu5A-2j1nA:
undetectable		 1bu5A-2j1nA:
17.91
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.
1T88_A_CAMA1422_0
(CYTOCHROME P450-CAM)		 2j1n OUTER MEMBRANE
PROTEIN C
(Escherichia
coli) 		4 / 7 TYR A 289
LEU A 250
VAL A 247
GLY A 248
 None
 0.92A 1t88A-2j1nA:
undetectable		 1t88A-2j1nA:
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.
2A1O_A_CAMA1422_0
(CYTOCHROME P450-CAM)		 2j1n OUTER MEMBRANE
PROTEIN C
(Escherichia
coli) 		4 / 8 TYR A 289
LEU A 250
VAL A 247
GLY A 248
 None
 0.89A 2a1oA-2j1nA:
undetectable		 2a1oA-2j1nA:
19.24
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.
2FK8_A_SAMA302_0
(METHOXY MYCOLIC ACID
SYNTHASE 4)		 2j1n OUTER MEMBRANE
PROTEIN C
(Escherichia
coli) 		5 / 12 ILE A 184
GLY A 195
GLY A 223
GLY A 182
ILE A 193
 None
 0.89A 2fk8A-2j1nA:
undetectable		 2fk8A-2j1nA:
19.07
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.
2J2P_E_SC2E1289_1
(FICOLIN-2)		 2j1n OUTER MEMBRANE
PROTEIN C
(Escherichia
coli) 		4 / 6 ARG A 132
ASP A  89
THR A 130
ASP A  99
 None
 0.91A 2j2pE-2j1nA:
undetectable
2j2pF-2j1nA:
undetectable		 2j2pE-2j1nA:
20.17
2j2pF-2j1nA:
20.17
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.
2Y00_B_Y00B601_1
(BETA-1 ADRENERGIC
RECEPTOR)		 2j1n OUTER MEMBRANE
PROTEIN C
(Escherichia
coli) 		5 / 12 VAL A 338
THR A  34
ASP A  18
VAL A  17
TYR A 313
 None
 1.16A 2y00B-2j1nA:
undetectable		 2y00B-2j1nA:
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.
2Y01_B_Y00B601_1
(BETA-1 ADRENERGIC
RECEPTOR)		 2j1n OUTER MEMBRANE
PROTEIN C
(Escherichia
coli) 		5 / 12 VAL A 338
THR A  34
ASP A  18
VAL A  17
TYR A 313
 None
 1.14A 2y01B-2j1nA:
undetectable		 2y01B-2j1nA:
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.
3KL3_A_DHIA403_0
(GLUCURONOXYLANASE
XYNC)		 2j1n OUTER MEMBRANE
PROTEIN C
(Escherichia
coli) 		4 / 4 GLY A  54
TYR A  53
GLY A  79
ASP A  89
 None
 0.69A 3kl3A-2j1nA:
undetectable		 3kl3A-2j1nA:
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.
3KO0_O_TFPO201_1
(PROTEIN S100-A4)		 2j1n OUTER MEMBRANE
PROTEIN C
(Escherichia
coli) 		4 / 8 GLY A  42
PHE A 128
PHE A  77
GLY A  79
 None
 1.01A 3ko0O-2j1nA:
undetectable
3ko0Q-2j1nA:
undetectable		 3ko0O-2j1nA:
11.85
3ko0Q-2j1nA:
11.85
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.
3OKX_A_SAMA201_0
(YAEB-LIKE PROTEIN
RPA0152)		 2j1n OUTER MEMBRANE
PROTEIN C
(Escherichia
coli) 		5 / 12 LEU A 285
ARG A 287
GLY A 282
SER A 280
LEU A 250
 None
 0.92A 3okxA-2j1nA:
undetectable		 3okxA-2j1nA:
18.62
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.
3OKX_B_SAMB201_1
(YAEB-LIKE PROTEIN
RPA0152)		 2j1n OUTER MEMBRANE
PROTEIN C
(Escherichia
coli) 		5 / 12 LEU A 285
ARG A 287
GLY A 282
SER A 280
LEU A 250
 None
 1.10A 3okxB-2j1nA:
undetectable		 3okxB-2j1nA:
18.62
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.
3PWW_A_ROCA1001_2
(ENDOTHIAPEPSIN)		 2j1n OUTER MEMBRANE
PROTEIN C
(Escherichia
coli) 		4 / 8 GLY A 248
SER A 249
ASP A  28
THR A 334
 None
None
None
MG  A1347 (-4.7A)
 0.75A 3pwwA-2j1nA:
undetectable		 3pwwA-2j1nA:
23.47
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.
3SUE_C_SUEC1201_2
(NS3 PROTEASE, NS4A
PROTEIN)		 2j1n OUTER MEMBRANE
PROTEIN C
(Escherichia
coli) 		4 / 5 TYR A  94
ILE A 193
LEU A 225
LYS A 226
 None
 1.36A 3sueC-2j1nA:
undetectable		 3sueC-2j1nA:
20.34
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.
3VQR_A_ACTA1002_0
(PUTATIVE
OXIDOREDUCTASE)		 2j1n OUTER MEMBRANE
PROTEIN C
(Escherichia
coli) 		4 / 6 ASP A 105
GLY A 111
ASP A 113
THR A 114
 None
 1.01A 3vqrA-2j1nA:
undetectable		 3vqrA-2j1nA:
21.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KR4_C_AICC401_1
(OUTER MEMBRANE
PROTEIN F)		 2j1n OUTER MEMBRANE
PROTEIN C
(Escherichia
coli) 		4 / 8 LYS A  16
TYR A  35
ARG A  74
ARG A 124
 None
 0.79A 4kr4C-2j1nA:
37.9		 4kr4C-2j1nA:
53.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KR4_C_AICC401_1
(OUTER MEMBRANE
PROTEIN F)		 2j1n OUTER MEMBRANE
PROTEIN C
(Escherichia
coli) 		4 / 8 LYS A  16
TYR A  35
ASP A 105
ARG A 124
 None
 0.78A 4kr4C-2j1nA:
37.9		 4kr4C-2j1nA:
53.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KR8_C_DM1C401_1
(OUTER MEMBRANE
PROTEIN F)		 2j1n OUTER MEMBRANE
PROTEIN C
(Escherichia
coli) 		5 / 10 LYS A  16
TYR A  35
ARG A  74
TYR A  94
ARG A 124
 None
 0.94A 4kr8C-2j1nA:
40.1		 4kr8C-2j1nA:
53.35
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.
5G5G_B_ACTB1321_0
(PUTATIVE XANTHINE
DEHYDROGENASE YAGR
MOLYBDENUM-BINDING
SU SUBUNIT)		 2j1n OUTER MEMBRANE
PROTEIN C
(Escherichia
coli) 		3 / 3 THR A 203
ASP A 204
ALA A 205
 None
 0.00A 5g5gB-2j1nA:
undetectable		 5g5gB-2j1nA:
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.
5HHJ_B_GLYB404_0
(RETRON-TYPE REVERSE
TRANSCRIPTASE)		 2j1n OUTER MEMBRANE
PROTEIN C
(Escherichia
coli) 		4 / 4 GLN A 175
ALA A 205
GLN A 206
THR A 208
 None
 1.15A 5hhjB-2j1nA:
0.0		 5hhjB-2j1nA:
22.34
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.
5JGL_A_SAMA301_1
(UBIE/COQ5 FAMILY
METHYLTRANSFERASE,
PUTATIVE)		 2j1n OUTER MEMBRANE
PROTEIN C
(Escherichia
coli) 		3 / 3 GLY A 112
ASP A 113
ASN A 333
 None
 0.57A 5jglA-2j1nA:
undetectable		 5jglA-2j1nA:
22.50
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.
5X7P_A_ACRA1431_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 2j1n OUTER MEMBRANE
PROTEIN C
(Escherichia
coli) 		4 / 7 ASN A 168
ASP A 178
GLY A 179
ASN A 176
 None
 0.86A 5x7pA-2j1nA:
undetectable		 5x7pA-2j1nA:
13.72
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.
6DWN_D_AQ4D602_0
(CYTOCHROME P450 1A1)		 2j1n OUTER MEMBRANE
PROTEIN C
(Escherichia
coli) 		5 / 12 ILE A 294
ASN A 324
PHE A 326
GLY A 331
ASP A 329
 None
 0.95A 6dwnD-2j1nA:
undetectable		 6dwnD-2j1nA:
12.45