SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'I3C'


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.
1JKH_A_EFZA999_1
(HIV-1 RT, A-CHAIN
HIV-1 RT, B-CHAIN)		 5for PHOSPHOINOSITIDE
3-KINASE ADAPTER
PROTEIN 1
(Homo
sapiens) 		5 / 11 LEU A  24
VAL A  96
VAL A 131
TRP A  20
LEU A  67
 None
None
I3C  A1141 (-4.3A)
1PE  A1140 (-3.3A)
None
 1.43A 1jkhA-5forA:
undetectable
1jkhB-5forA:
undetectable		 1jkhA-5forA:
11.98
1jkhB-5forA:
15.00
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.
1OLT_A_SAMA501_0
(OXYGEN-INDEPENDENT
COPROPORPHYRINOGEN
III OXIDASE)		 5u84 ACID CERAMIDASE
(Balaenoptera
acutorostrata) 		5 / 12 THR A 141
GLU A 138
ARG A 159
ILE A 282
PHE A 281
 None
I3C  A 412 (-2.7A)
None
None
None
 1.39A 1oltA-5u84A:
undetectable		 1oltA-5u84A:
undetectable
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.
1X70_A_715A801_2
(DIPEPTIDYL PEPTIDASE
IV)		 4bvx EUKARYOTIC
TRANSLATION
ELONGATION FACTOR 1
EPSILON-1
METHIONINE--TRNA
LIGASE, CYTOPLASMIC
(Homo
sapiens) 		3 / 3 ARG A   2
SER B 100
TYR B 101
 I3C  A1204 (-3.1A)
None
None
 0.61A 1x70A-4bvxA:
undetectable		 1x70A-4bvxA:
13.95
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.
1YC2_E_NCAE507_0
(NAD-DEPENDENT
DEACETYLASE 2)		 5u84 ACID CERAMIDASE
(Balaenoptera
acutorostrata) 		4 / 7 PHE A 108
LEU A 105
ASN A 134
ILE A 135
 None
None
None
I3C  A 412 (-4.3A)
 0.90A 1yc2E-5u84A:
undetectable		 1yc2E-5u84A:
undetectable
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.
2V0Z_O_C41O1327_2
(RENIN)		 5u84 ACID CERAMIDASE
(Balaenoptera
acutorostrata) 		4 / 8 TYR A 280
TYR A 137
LEU A 276
THR A 175
 None
None
I3C  A 412 (-4.7A)
None
 1.11A 2v0zO-5u84A:
undetectable		 2v0zO-5u84A:
11.90
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.
3K4V_D_ROCD201_2
(HIV-1 PROTEASE)		 5u84 ACID CERAMIDASE
(Balaenoptera
acutorostrata) 		4 / 4 GLY A 379
ASP A 375
GLY A 284
THR A 212
 None
I3C  A 407 (-3.3A)
None
None
 1.03A 3k4vC-5u84A:
undetectable		 3k4vC-5u84A:
17.00
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.
3TWP_C_SALC404_1
(ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE)		 4bvx EUKARYOTIC
TRANSLATION
ELONGATION FACTOR 1
EPSILON-1
METHIONINE--TRNA
LIGASE, CYTOPLASMIC
(Homo
sapiens) 		4 / 7 ALA A  22
TYR A  68
ARG A  67
ALA B  65
 None
None
None
I3C  A1205 (-3.5A)
 1.12A 3twpC-4bvxA:
undetectable		 3twpC-4bvxA:
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.
4QWP_B_GCSB307_1
(CHITOSANASE)		 4arr TOLL RECEPTOR,
VARIABLE LYMPHOCYTE
RECEPTOR B.61
CHIMERA
(Drosophila
melanogaster;
Eptatretus
burgeri) 		4 / 7 ARG A 101
THR A 128
THR A 129
VAL A  75
 None
None
I3C  A1300 (-4.4A)
None
 0.98A 4qwpB-4arrA:
undetectable		 4qwpB-4arrA:
18.40
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.
5DZK_P_BEZP801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 2y1b PUTATIVE OUTER
MEMBRANE PROTEIN,
SIGNAL
(Escherichia
coli) 		4 / 5 SER A 127
ALA A 128
HIS A 107
MET A  92
 None
None
I3C  A1133 (-3.6A)
None
 1.03A 5dzkb-2y1bA:
undetectable
5dzkp-2y1bA:
undetectable		 5dzkb-2y1bA:
20.72
5dzkp-2y1bA:
2.17
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.
5DZK_P_BEZP801_1
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 2y1b PUTATIVE OUTER
MEMBRANE PROTEIN,
SIGNAL
(Escherichia
coli) 		4 / 6 SER A 127
ALA A 128
HIS A 107
MET A  92
 None
None
I3C  A1133 (-3.6A)
None
 1.02A 5dzkB-2y1bA:
undetectable
5dzkP-2y1bA:
undetectable		 5dzkB-2y1bA:
20.72
5dzkP-2y1bA:
2.17
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.
5DZK_Q_BEZQ801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 2y1b PUTATIVE OUTER
MEMBRANE PROTEIN,
SIGNAL
(Escherichia
coli) 		4 / 5 SER A 127
ALA A 128
HIS A 107
MET A  92
 None
None
I3C  A1133 (-3.6A)
None
 1.02A 5dzkc-2y1bA:
undetectable
5dzkq-2y1bA:
undetectable		 5dzkc-2y1bA:
20.72
5dzkq-2y1bA:
2.17
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.
5DZK_R_BEZR801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 2y1b PUTATIVE OUTER
MEMBRANE PROTEIN,
SIGNAL
(Escherichia
coli) 		4 / 7 SER A 127
ALA A 128
HIS A 107
MET A  92
 None
None
I3C  A1133 (-3.6A)
None
 1.02A 5dzkD-2y1bA:
undetectable
5dzkR-2y1bA:
undetectable		 5dzkD-2y1bA:
20.72
5dzkR-2y1bA:
2.17
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.
5DZK_T_BEZT801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 2y1b PUTATIVE OUTER
MEMBRANE PROTEIN,
SIGNAL
(Escherichia
coli) 		4 / 5 SER A 127
ALA A 128
HIS A 107
MET A  92
 None
None
I3C  A1133 (-3.6A)
None
 1.03A 5dzkf-2y1bA:
undetectable
5dzkt-2y1bA:
undetectable		 5dzkf-2y1bA:
20.72
5dzkt-2y1bA:
2.17
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.
5DZK_U_BEZU801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 2y1b PUTATIVE OUTER
MEMBRANE PROTEIN,
SIGNAL
(Escherichia
coli) 		4 / 6 SER A 127
ALA A 128
HIS A 107
MET A  92
 None
None
I3C  A1133 (-3.6A)
None
 1.03A 5dzkg-2y1bA:
undetectable
5dzku-2y1bA:
undetectable		 5dzkg-2y1bA:
20.72
5dzku-2y1bA:
2.17