SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3i1c'

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.
1CBS_A_REAA200_1
(CELLULAR RETINOIC
ACID BINDING PROTEIN
TYPE II)		 3i1c DIISOPROPYL-FLUOROPH
OSPHATASE
(Loligo
vulgaris) 		5 / 12 ILE A 249
ALA A 242
THR A 285
VAL A 284
TYR A  37
 None
 1.08A 1cbsA-3i1cA:
2.2		 1cbsA-3i1cA:
16.51
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.
1DZ6_A_CAMA502_0
(CYTOCHROME P450-CAM)		 3i1c DIISOPROPYL-FLUOROPH
OSPHATASE
(Loligo
vulgaris) 		4 / 5 PHE A 124
TYR A 305
VAL A  96
ASP A  79
 None
 1.48A 1dz6A-3i1cA:
undetectable		 1dz6A-3i1cA:
21.13
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.
1DZ6_B_CAMB502_0
(CYTOCHROME P450-CAM)		 3i1c DIISOPROPYL-FLUOROPH
OSPHATASE
(Loligo
vulgaris) 		4 / 5 PHE A 124
TYR A 305
VAL A  96
ASP A  79
 None
 1.46A 1dz6B-3i1cA:
undetectable		 1dz6B-3i1cA:
21.13
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.
1NT2_A_SAMA301_1
(FIBRILLARIN-LIKE
PRE-RRNA PROCESSING
PROTEIN)		 3i1c DIISOPROPYL-FLUOROPH
OSPHATASE
(Loligo
vulgaris) 		3 / 3 THR A 159
GLU A 127
ASP A 184
 None
 0.85A 1nt2A-3i1cA:
undetectable		 1nt2A-3i1cA:
21.10
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.
2FR3_A_REAA300_1
(CELLULAR RETINOIC
ACID BINDING PROTEIN
2)		 3i1c DIISOPROPYL-FLUOROPH
OSPHATASE
(Loligo
vulgaris) 		5 / 12 ILE A 249
ALA A 242
THR A 285
VAL A 284
TYR A  37
 None
 1.09A 2fr3A-3i1cA:
undetectable		 2fr3A-3i1cA:
16.51
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.
3ARU_A_PNXA607_1
(CHITINASE A)		 3i1c DIISOPROPYL-FLUOROPH
OSPHATASE
(Loligo
vulgaris) 		4 / 8 VAL A 292
GLY A  22
GLY A 230
ALA A 272
 None
 0.76A 3aruA-3i1cA:
undetectable		 3aruA-3i1cA:
20.20
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.
3KP3_B_AICB2002_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		 3i1c DIISOPROPYL-FLUOROPH
OSPHATASE
(Loligo
vulgaris) 		3 / 3 ALA A 142
ARG A 115
LYS A 109
 None
 1.03A 3kp3B-3i1cA:
undetectable		 3kp3B-3i1cA:
21.00
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.
3UVV_B_9CRB501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 3i1c DIISOPROPYL-FLUOROPH
OSPHATASE
(Loligo
vulgaris) 		5 / 12 ALA A 175
ALA A 193
PHE A 171
ALA A 173
ILE A 211
 None
None
GOL  A 325 (-3.4A)
None
None
 1.30A 3uvvB-3i1cA:
undetectable		 3uvvB-3i1cA:
22.02
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.
4AGA_A_ACTA1131_0
(LYSOZYME C)		 3i1c DIISOPROPYL-FLUOROPH
OSPHATASE
(Loligo
vulgaris) 		3 / 3 ASN A  83
ASP A  26
ASN A  28
 None
 0.68A 4agaA-3i1cA:
undetectable		 4agaA-3i1cA:
17.53
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 3i1c DIISOPROPYL-FLUOROPH
OSPHATASE
(Loligo
vulgaris) 		4 / 8 ALA A 229
ALA A 272
ALA A 120
ALA A 175
 None
 0.78A 4twdF-3i1cA:
undetectable
4twdG-3i1cA:
undetectable
4twdH-3i1cA:
undetectable
4twdI-3i1cA:
undetectable
4twdJ-3i1cA:
undetectable		 4twdF-3i1cA:
20.92
4twdG-3i1cA:
20.92
4twdH-3i1cA:
20.92
4twdI-3i1cA:
20.92
4twdJ-3i1cA:
20.92
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.
4TXN_B_URFB302_1
(URIDINE
PHOSPHORYLASE)		 3i1c DIISOPROPYL-FLUOROPH
OSPHATASE
(Loligo
vulgaris) 		4 / 7 THR A 279
GLY A 301
GLN A 304
ILE A 282
 None
 0.95A 4txnB-3i1cA:
undetectable		 4txnB-3i1cA:
23.32
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.
4TXN_C_URFC302_1
(URIDINE
PHOSPHORYLASE)		 3i1c DIISOPROPYL-FLUOROPH
OSPHATASE
(Loligo
vulgaris) 		4 / 7 THR A 279
GLY A 301
GLN A 304
ILE A 282
 None
 0.93A 4txnC-3i1cA:
undetectable		 4txnC-3i1cA:
23.32
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.
4TXN_D_URFD302_1
(URIDINE
PHOSPHORYLASE)		 3i1c DIISOPROPYL-FLUOROPH
OSPHATASE
(Loligo
vulgaris) 		4 / 7 THR A 279
GLY A 301
GLN A 304
ILE A 282
 None
 0.92A 4txnD-3i1cA:
undetectable		 4txnD-3i1cA:
23.32
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.
4XEY_A_1N1A601_2
(TYROSINE-PROTEIN
KINASE ABL1)		 3i1c DIISOPROPYL-FLUOROPH
OSPHATASE
(Loligo
vulgaris) 		3 / 3 MET A 261
ASP A 234
PHE A 233
 None
 1.02A 4xeyA-3i1cA:
undetectable		 4xeyA-3i1cA:
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.
4XEY_B_1N1B601_2
(TYROSINE-PROTEIN
KINASE ABL1)		 3i1c DIISOPROPYL-FLUOROPH
OSPHATASE
(Loligo
vulgaris) 		3 / 3 MET A 261
ASP A 234
PHE A 233
 None
 1.06A 4xeyB-3i1cA:
undetectable		 4xeyB-3i1cA:
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.
5VEU_A_RITA602_1
(CYTOCHROME P450 3A5)		 3i1c DIISOPROPYL-FLUOROPH
OSPHATASE
(Loligo
vulgaris) 		5 / 12 ILE A  74
ALA A  21
THR A 285
ALA A 242
GLY A 245
 None
 0.87A 5veuA-3i1cA:
undetectable		 5veuA-3i1cA:
21.37
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.
5VEU_B_RITB602_1
(CYTOCHROME P450 3A5)		 3i1c DIISOPROPYL-FLUOROPH
OSPHATASE
(Loligo
vulgaris) 		5 / 12 ILE A  74
ALA A  21
THR A 285
ALA A 242
GLY A 245
 None
 1.05A 5veuB-3i1cA:
undetectable		 5veuB-3i1cA:
21.37
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.
6DWD_B_GLYB709_0
(DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1)		 3i1c DIISOPROPYL-FLUOROPH
OSPHATASE
(Loligo
vulgaris) 		4 / 5 GLY A 113
ASP A 110
ARG A 115
ARG A 114
 None
 1.35A 6dwdB-3i1cA:
undetectable
6dwdD-3i1cA:
undetectable		 6dwdB-3i1cA:
19.86
6dwdD-3i1cA:
19.86
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.
6DWJ_B_GLYB710_0
(DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1)		 3i1c DIISOPROPYL-FLUOROPH
OSPHATASE
(Loligo
vulgaris) 		4 / 5 ARG A 115
ARG A 114
GLY A 113
ASP A 110
 None
 1.40A 6dwjB-3i1cA:
undetectable
6dwjD-3i1cA:
undetectable		 6dwjB-3i1cA:
19.86
6dwjD-3i1cA:
19.86