SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3c5i'

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.
1RU9_H_ACTH611_0
(IMMUNOGLOBULIN
IGG2A, HEAVY CHAIN
IMMUNOGLOBULIN
IGG2A, LIGHT CHAIN)		 3c5i CHOLINE KINASE
(Plasmodium
knowlesi) 		4 / 6 LEU A  22
TRP A  28
ASN A  35
LEU A  54
 None
 1.36A 1ru9H-3c5iA:
undetectable
1ru9L-3c5iA:
undetectable		 1ru9H-3c5iA:
18.52
1ru9L-3c5iA:
17.40
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.
1RUA_L_ACTL611_0
(IMMUNOGLOBULIN
IGG2A, HEAVY CHAIN
IMMUNOGLOBULIN
IGG2A, LIGHT CHAIN)		 3c5i CHOLINE KINASE
(Plasmodium
knowlesi) 		4 / 5 LEU A  22
TRP A  28
ASN A  35
LEU A  54
 None
 1.36A 1ruaH-3c5iA:
0.0
1ruaL-3c5iA:
0.0		 1ruaH-3c5iA:
18.52
1ruaL-3c5iA:
17.40
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.
1RUK_L_ACTL611_0
(IMMUNOGLOBULIN
IGG2A, HEAVY CHAIN
IMMUNOGLOBULIN
IGG2A, LIGHT CHAIN)		 3c5i CHOLINE KINASE
(Plasmodium
knowlesi) 		4 / 6 LEU A  22
TRP A  28
ASN A  35
LEU A  54
 None
 1.38A 1rukH-3c5iA:
undetectable
1rukL-3c5iA:
undetectable		 1rukH-3c5iA:
18.52
1rukL-3c5iA:
17.40
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.
1RUL_L_ACTL611_0
(IMMUNOGLOBULIN
IGG2A, HEAVY CHAIN
IMMUNOGLOBULIN
IGG2A, LIGHT CHAIN)		 3c5i CHOLINE KINASE
(Plasmodium
knowlesi) 		4 / 5 LEU A  22
TRP A  28
ASN A  35
LEU A  54
 None
 1.37A 1rulH-3c5iA:
0.0
1rulL-3c5iA:
0.0		 1rulH-3c5iA:
18.52
1rulL-3c5iA:
17.40
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.
1SG9_A_SAMA301_0
(HEMK PROTEIN)		 3c5i CHOLINE KINASE
(Plasmodium
knowlesi) 		5 / 12 ILE A 123
VAL A 261
SER A 262
GLU A 268
ASN A 222
 None
None
None
None
MG  A 370 ( 4.4A)
 1.23A 1sg9A-3c5iA:
undetectable		 1sg9A-3c5iA:
21.45
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.
1YC2_A_NCAA506_0
(NAD-DEPENDENT
DEACETYLASE 2)		 3c5i CHOLINE KINASE
(Plasmodium
knowlesi) 		4 / 6 SER A 260
PHE A 339
ILE A 257
ASP A 258
 None
None
CA  A 371 (-4.4A)
None
 1.00A 1yc2A-3c5iA:
undetectable		 1yc2A-3c5iA:
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.
2FCN_B_DVAB35_0
(UBIQUITIN)		 3c5i CHOLINE KINASE
(Plasmodium
knowlesi) 		4 / 6 ARG A 348
LEU A 321
GLU A 254
ILE A 253
 CHT  A1001 ( 4.8A)
None
CA  A 371 ( 3.4A)
GOL  A1003 (-4.3A)
 0.97A 2fcnA-3c5iA:
undetectable
2fcnB-3c5iA:
undetectable		 2fcnA-3c5iA:
11.78
2fcnB-3c5iA:
11.78
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.
2I2Z_A_SALA1100_1
(SERUM ALBUMIN)		 3c5i CHOLINE KINASE
(Plasmodium
knowlesi) 		4 / 5 LEU A 219
ILE A 224
ILE A 135
ALA A 136
 None
 0.76A 2i2zA-3c5iA:
undetectable		 2i2zA-3c5iA:
20.75
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.
2NYR_B_SVRB401_2
(NAD-DEPENDENT
DEACETYLASE
SIRTUIN-5)		 3c5i CHOLINE KINASE
(Plasmodium
knowlesi) 		4 / 6 PHE A 267
GLN A 220
ASN A 222
LEU A 132
 None
CHT  A1001 (-3.2A)
MG  A 370 ( 4.4A)
None
 1.24A 2nyrA-3c5iA:
undetectable		 2nyrA-3c5iA:
20.38
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.
2R2V_D_ACTD37_0
(GCN4 LEUCINE ZIPPER)		 3c5i CHOLINE KINASE
(Plasmodium
knowlesi) 		3 / 3 LYS A  18
ARG A  37
VAL A  52
 None
 0.99A 2r2vC-3c5iA:
undetectable
2r2vD-3c5iA:
undetectable		 2r2vC-3c5iA:
6.23
2r2vD-3c5iA:
6.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MES_A_DMEA427_1
(CHOLINE KINASE)		 3c5i CHOLINE KINASE
(Plasmodium
knowlesi) 		8 / 10 ASP A 218
GLN A 220
GLU A 254
TYR A 259
TRP A 322
TRP A 325
PHE A 339
TYR A 344
 CHT  A1001 (-2.8A)
CHT  A1001 (-3.2A)
CA  A 371 ( 3.4A)
CHT  A1001 ( 4.6A)
CHT  A1001 (-4.3A)
CHT  A1001 (-4.1A)
None
None
 0.78A 3mesA-3c5iA:
38.7		 3mesA-3c5iA:
35.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MES_A_DMEA427_1
(CHOLINE KINASE)		 3c5i CHOLINE KINASE
(Plasmodium
knowlesi) 		7 / 10 GLN A 220
ASN A 222
GLU A 254
TYR A 259
TRP A 322
PHE A 339
TYR A 344
 CHT  A1001 (-3.2A)
MG  A 370 ( 4.4A)
CA  A 371 ( 3.4A)
CHT  A1001 ( 4.6A)
CHT  A1001 (-4.3A)
None
None
 1.02A 3mesA-3c5iA:
38.7		 3mesA-3c5iA:
35.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MES_B_DMEB427_1
(CHOLINE KINASE)		 3c5i CHOLINE KINASE
(Plasmodium
knowlesi) 		8 / 10 ASP A 218
GLN A 220
GLU A 254
TYR A 259
TRP A 322
TRP A 325
PHE A 339
TYR A 344
 CHT  A1001 (-2.8A)
CHT  A1001 (-3.2A)
CA  A 371 ( 3.4A)
CHT  A1001 ( 4.6A)
CHT  A1001 (-4.3A)
CHT  A1001 (-4.1A)
None
None
 0.78A 3mesB-3c5iA:
38.7		 3mesB-3c5iA:
35.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MES_B_DMEB427_1
(CHOLINE KINASE)		 3c5i CHOLINE KINASE
(Plasmodium
knowlesi) 		7 / 10 GLN A 220
ASN A 222
GLU A 254
TYR A 259
TRP A 322
PHE A 339
TYR A 344
 CHT  A1001 (-3.2A)
MG  A 370 ( 4.4A)
CA  A 371 ( 3.4A)
CHT  A1001 ( 4.6A)
CHT  A1001 (-4.3A)
None
None
 1.03A 3mesB-3c5iA:
38.7		 3mesB-3c5iA:
35.81
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.
4FGJ_A_1PQA304_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 3c5i CHOLINE KINASE
(Plasmodium
knowlesi) 		4 / 8 PHE A 267
ILE A 257
PHE A 339
GLY A 323
 None
CA  A 371 (-4.4A)
None
None
 0.71A 4fgjA-3c5iA:
undetectable
4fgjB-3c5iA:
undetectable		 4fgjA-3c5iA:
18.11
4fgjB-3c5iA:
18.11
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.
4O8F_B_BRLB501_2
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 3c5i CHOLINE KINASE
(Plasmodium
knowlesi) 		4 / 6 ILE A 131
GLY A 134
ILE A 248
ILE A 224
 None
 0.73A 4o8fB-3c5iA:
undetectable		 4o8fB-3c5iA:
21.88
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.
4ZDY_A_1YNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3c5i CHOLINE KINASE
(Plasmodium
knowlesi) 		5 / 12 GLY A 118
PHE A 283
ILE A 248
GLY A 140
LEU A 233
 None
 1.15A 4zdyA-3c5iA:
undetectable		 4zdyA-3c5iA:
20.30
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.
4ZZC_A_ACTA401_0
(PROTON-GATED ION
CHANNEL)		 3c5i CHOLINE KINASE
(Plasmodium
knowlesi) 		4 / 6 ILE A 269
ARG A 348
ILE A 253
GLU A 254
 None
CHT  A1001 ( 4.8A)
GOL  A1003 (-4.3A)
CA  A 371 ( 3.4A)
 1.20A 4zzcA-3c5iA:
2.3
4zzcB-3c5iA:
2.3		 4zzcA-3c5iA:
23.33
4zzcB-3c5iA:
23.33
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.
4ZZC_B_ACTB401_0
(PROTON-GATED ION
CHANNEL)		 3c5i CHOLINE KINASE
(Plasmodium
knowlesi) 		4 / 6 ILE A 269
ARG A 348
ILE A 253
GLU A 254
 None
CHT  A1001 ( 4.8A)
GOL  A1003 (-4.3A)
CA  A 371 ( 3.4A)
 1.16A 4zzcB-3c5iA:
2.3
4zzcC-3c5iA:
2.6		 4zzcB-3c5iA:
23.33
4zzcC-3c5iA:
23.33
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_C_GLYC713_0
(DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1)		 3c5i CHOLINE KINASE
(Plasmodium
knowlesi) 		3 / 3 GLN A 220
TYR A 259
ASN A 222
 CHT  A1001 (-3.2A)
CHT  A1001 ( 4.6A)
MG  A 370 ( 4.4A)
 0.99A 6dwdC-3c5iA:
undetectable		 6dwdC-3c5iA:
20.67