SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4jnd'

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.
1FKP_A_NVPA999_1
(HIV-1 RT, A-CHAIN)		 4jnd CA(2+)/CALMODULIN-DE
PENDENT PROTEIN
KINASE PHOSPHATASE
(Caenorhabditis
elegans) 		5 / 11 LEU A 180
VAL A  87
VAL A 420
GLY A 165
TYR A 182
 None
 1.31A 1fkpA-4jndA:
undetectable		 1fkpA-4jndA:
23.36
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)		 4jnd CA(2+)/CALMODULIN-DE
PENDENT PROTEIN
KINASE PHOSPHATASE
(Caenorhabditis
elegans) 		5 / 11 LEU A 180
VAL A  87
VAL A 420
GLY A 165
TYR A 182
 None
 1.28A 1jkhA-4jndA:
undetectable
1jkhB-4jndA:
undetectable		 1jkhA-4jndA:
22.30
1jkhB-4jndA:
23.21
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.
1KQE_A_DVAA6_0
(MINI-GRAMICIDIN A)		 4jnd CA(2+)/CALMODULIN-DE
PENDENT PROTEIN
KINASE PHOSPHATASE
(Caenorhabditis
elegans) 		3 / 3 ALA A  98
VAL A  93
TRP A  92
 None
 0.80A 1kqeA-4jndA:
undetectable
1kqeE-4jndA:
undetectable		 1kqeA-4jndA:
2.13
1kqeE-4jndA:
2.13
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.
1KQE_B_DVAB6_0
(MINI-GRAMICIDIN A)		 4jnd CA(2+)/CALMODULIN-DE
PENDENT PROTEIN
KINASE PHOSPHATASE
(Caenorhabditis
elegans) 		3 / 3 ALA A  98
VAL A  93
TRP A  92
 None
 0.79A 1kqeB-4jndA:
undetectable
1kqeD-4jndA:
undetectable		 1kqeB-4jndA:
2.13
1kqeD-4jndA:
2.13
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.
1KQE_D_DVAD6_0
(MINI-GRAMICIDIN A)		 4jnd CA(2+)/CALMODULIN-DE
PENDENT PROTEIN
KINASE PHOSPHATASE
(Caenorhabditis
elegans) 		3 / 3 TRP A  92
ALA A  98
VAL A  93
 None
 0.81A 1kqeB-4jndA:
undetectable
1kqeD-4jndA:
undetectable		 1kqeB-4jndA:
2.13
1kqeD-4jndA:
2.13
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.
1KQE_E_DVAE6_0
(MINI-GRAMICIDIN A)		 4jnd CA(2+)/CALMODULIN-DE
PENDENT PROTEIN
KINASE PHOSPHATASE
(Caenorhabditis
elegans) 		3 / 3 TRP A  92
ALA A  98
VAL A  93
 None
 0.81A 1kqeA-4jndA:
undetectable
1kqeE-4jndA:
undetectable		 1kqeA-4jndA:
2.13
1kqeE-4jndA:
2.13
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.
1LWC_A_NVPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		 4jnd CA(2+)/CALMODULIN-DE
PENDENT PROTEIN
KINASE PHOSPHATASE
(Caenorhabditis
elegans) 		5 / 11 LEU A 180
VAL A  87
VAL A 420
GLY A 165
TYR A 182
 None
 1.27A 1lwcA-4jndA:
undetectable		 1lwcA-4jndA:
22.30
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.
1M4G_B_RIOB501_0
(AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE)		 4jnd CA(2+)/CALMODULIN-DE
PENDENT PROTEIN
KINASE PHOSPHATASE
(Caenorhabditis
elegans) 		5 / 9 GLU A 219
GLY A 215
SER A  94
THR A  99
ASP A 189
 None
 1.42A 1m4gB-4jndA:
undetectable		 1m4gB-4jndA:
20.09
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.
1MIC_A_DVAA6_0
(GRAMICIDIN A)		 4jnd CA(2+)/CALMODULIN-DE
PENDENT PROTEIN
KINASE PHOSPHATASE
(Caenorhabditis
elegans) 		3 / 3 ALA A  98
VAL A  93
TRP A  92
 None
 0.86A 1micA-4jndA:
undetectable
1micB-4jndA:
undetectable		 1micA-4jndA:
2.68
1micB-4jndA:
2.68
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.
1RLB_F_REAF177_1
(RETINOL BINDING
PROTEIN)		 4jnd CA(2+)/CALMODULIN-DE
PENDENT PROTEIN
KINASE PHOSPHATASE
(Caenorhabditis
elegans) 		5 / 11 LEU A 332
ALA A 264
ALA A 337
VAL A 328
LEU A 319
 None
 1.07A 1rlbF-4jndA:
undetectable		 1rlbF-4jndA:
17.78
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.
1U70_A_MTXA187_2
(DIHYDROFOLATE
REDUCTASE)		 4jnd CA(2+)/CALMODULIN-DE
PENDENT PROTEIN
KINASE PHOSPHATASE
(Caenorhabditis
elegans) 		4 / 4 SER A 401
ILE A 404
VAL A 417
THR A 263
 None
 1.24A 1u70A-4jndA:
undetectable		 1u70A-4jndA:
18.14
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.
1VQ1_A_SAMA301_1
(N5-GLUTAMINE
METHYLTRANSFERASE,
HEMK)		 4jnd CA(2+)/CALMODULIN-DE
PENDENT PROTEIN
KINASE PHOSPHATASE
(Caenorhabditis
elegans) 		3 / 3 GLY A 371
ASP A 374
ASN A 416
 None
 0.61A 1vq1A-4jndA:
2.3		 1vq1A-4jndA:
21.44
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.
2HNY_A_NVPA999_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		 4jnd CA(2+)/CALMODULIN-DE
PENDENT PROTEIN
KINASE PHOSPHATASE
(Caenorhabditis
elegans) 		5 / 10 LEU A 180
VAL A  87
VAL A 420
GLY A 165
TYR A 182
 None
 1.22A 2hnyA-4jndA:
undetectable		 2hnyA-4jndA:
22.72
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.
3B0W_A_DGXA1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		 4jnd CA(2+)/CALMODULIN-DE
PENDENT PROTEIN
KINASE PHOSPHATASE
(Caenorhabditis
elegans) 		5 / 12 LEU A 238
ALA A 213
ALA A 279
LEU A 332
HIS A 204
 None
 1.05A 3b0wA-4jndA:
undetectable		 3b0wA-4jndA:
21.15
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.
3ELZ_B_CHDB152_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 4jnd CA(2+)/CALMODULIN-DE
PENDENT PROTEIN
KINASE PHOSPHATASE
(Caenorhabditis
elegans) 		3 / 3 ASN A 116
HIS A  66
VAL A  65
 None
 0.86A 3elzB-4jndA:
1.3		 3elzB-4jndA:
16.16
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.
3LP0_A_NVPA701_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		 4jnd CA(2+)/CALMODULIN-DE
PENDENT PROTEIN
KINASE PHOSPHATASE
(Caenorhabditis
elegans) 		5 / 9 LEU A 180
VAL A  87
VAL A 420
GLY A 165
TYR A 182
 None
 1.28A 3lp0A-4jndA:
undetectable		 3lp0A-4jndA:
22.18
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.
3LP1_A_NVPA701_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		 4jnd CA(2+)/CALMODULIN-DE
PENDENT PROTEIN
KINASE PHOSPHATASE
(Caenorhabditis
elegans) 		5 / 10 LEU A 180
VAL A  87
VAL A 420
GLY A 165
TYR A 182
 None
 1.29A 3lp1A-4jndA:
undetectable		 3lp1A-4jndA:
22.18
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.
3N3I_A_ROCA201_2
(PROTEASE)		 4jnd CA(2+)/CALMODULIN-DE
PENDENT PROTEIN
KINASE PHOSPHATASE
(Caenorhabditis
elegans) 		4 / 6 ILE A 404
ILE A 269
GLY A 422
VAL A 265
 None
 0.97A 3n3iA-4jndA:
undetectable		 3n3iA-4jndA:
17.51
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.
3PRS_A_RITA1001_2
(ENDOTHIAPEPSIN)		 4jnd CA(2+)/CALMODULIN-DE
PENDENT PROTEIN
KINASE PHOSPHATASE
(Caenorhabditis
elegans) 		5 / 12 GLY A 261
GLY A 282
ASP A 283
ASP A 340
ILE A 347
 None
 0.99A 3prsA-4jndA:
undetectable		 3prsA-4jndA:
21.66
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.
3TNE_A_RITA401_1
(SECRETED ASPARTIC
PROTEASE)		 4jnd CA(2+)/CALMODULIN-DE
PENDENT PROTEIN
KINASE PHOSPHATASE
(Caenorhabditis
elegans) 		6 / 12 GLY A 261
GLY A 282
ASP A 283
SER A 284
ASP A 340
ILE A 347
 None
 1.27A 3tneA-4jndA:
undetectable		 3tneA-4jndA:
21.56
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.
3TNE_A_RITA401_1
(SECRETED ASPARTIC
PROTEASE)		 4jnd CA(2+)/CALMODULIN-DE
PENDENT PROTEIN
KINASE PHOSPHATASE
(Caenorhabditis
elegans) 		6 / 12 GLY A 282
ASP A 283
SER A 284
ASP A 415
ASP A 340
ILE A 347
 None
None
None
MG  A 501 (-2.6A)
None
None
 1.20A 3tneA-4jndA:
undetectable		 3tneA-4jndA:
21.56
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.
3TNE_A_RITA401_1
(SECRETED ASPARTIC
PROTEASE)		 4jnd CA(2+)/CALMODULIN-DE
PENDENT PROTEIN
KINASE PHOSPHATASE
(Caenorhabditis
elegans) 		6 / 12 GLY A 339
GLY A 282
SER A 284
ASP A 177
ASP A 340
ILE A 347
 None
None
None
MG  A 501 ( 4.8A)
None
None
 1.48A 3tneA-4jndA:
undetectable		 3tneA-4jndA:
21.56
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.
3TNE_B_RITB401_1
(SECRETED ASPARTIC
PROTEASE)		 4jnd CA(2+)/CALMODULIN-DE
PENDENT PROTEIN
KINASE PHOSPHATASE
(Caenorhabditis
elegans) 		6 / 12 GLY A 339
GLY A 282
SER A 284
ASP A 177
ASP A 340
ILE A 347
 None
None
None
MG  A 501 ( 4.8A)
None
None
 1.40A 3tneB-4jndA:
undetectable		 3tneB-4jndA:
21.56
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.
4B9Z_A_ACRA1818_1
(ALPHA-GLUCOSIDASE,
PUTATIVE, ADG31B)		 4jnd CA(2+)/CALMODULIN-DE
PENDENT PROTEIN
KINASE PHOSPHATASE
(Caenorhabditis
elegans) 		5 / 12 ASP A 283
LEU A 334
ASP A 202
GLU A 176
ASP A 415
 None
None
MG  A 501 ( 2.5A)
None
MG  A 501 (-2.6A)
 1.15A 4b9zA-4jndA:
undetectable		 4b9zA-4jndA:
20.72
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.
4C5N_A_PXLA300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 4jnd CA(2+)/CALMODULIN-DE
PENDENT PROTEIN
KINASE PHOSPHATASE
(Caenorhabditis
elegans) 		4 / 7 ASP A 340
GLY A 339
HIS A 204
CYH A 209
 None
 0.78A 4c5nA-4jndA:
2.4		 4c5nA-4jndA:
21.57
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.
4C5N_C_PXLC300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 4jnd CA(2+)/CALMODULIN-DE
PENDENT PROTEIN
KINASE PHOSPHATASE
(Caenorhabditis
elegans) 		4 / 8 ASP A 340
GLY A 339
HIS A 204
CYH A 209
 None
 0.83A 4c5nC-4jndA:
undetectable		 4c5nC-4jndA:
21.57
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.
4MJW_A_ACTA603_0
(CHOLINE OXIDASE)		 4jnd CA(2+)/CALMODULIN-DE
PENDENT PROTEIN
KINASE PHOSPHATASE
(Caenorhabditis
elegans) 		3 / 3 ARG A 178
HIS A  74
SER A 210
 None
 0.98A 4mjwA-4jndA:
undetectable
4mjwB-4jndA:
undetectable		 4mjwA-4jndA:
21.43
4mjwB-4jndA:
21.43
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.
4MJW_B_ACTB603_0
(CHOLINE OXIDASE)		 4jnd CA(2+)/CALMODULIN-DE
PENDENT PROTEIN
KINASE PHOSPHATASE
(Caenorhabditis
elegans) 		3 / 3 SER A 210
ARG A 178
HIS A  74
 None
 1.00A 4mjwA-4jndA:
undetectable
4mjwB-4jndA:
undetectable		 4mjwA-4jndA:
21.43
4mjwB-4jndA:
21.43
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.
4XV2_B_P06B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 4jnd CA(2+)/CALMODULIN-DE
PENDENT PROTEIN
KINASE PHOSPHATASE
(Caenorhabditis
elegans) 		4 / 4 GLY A 422
VAL A 420
PHE A 376
ILE A 404
 None
 0.98A 4xv2B-4jndA:
undetectable		 4xv2B-4jndA:
22.20
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.
5HBM_A_NVPA601_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		 4jnd CA(2+)/CALMODULIN-DE
PENDENT PROTEIN
KINASE PHOSPHATASE
(Caenorhabditis
elegans) 		5 / 11 LEU A 180
VAL A  87
VAL A 420
GLY A 165
TYR A 182
 None
 1.26A 5hbmA-4jndA:
undetectable		 5hbmA-4jndA:
22.15
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.
5KF8_A_GCSA404_1
(PREDICTED
ACETYLTRANSFERASE)		 4jnd CA(2+)/CALMODULIN-DE
PENDENT PROTEIN
KINASE PHOSPHATASE
(Caenorhabditis
elegans) 		4 / 8 ARG A 248
GLY A  63
PRO A  64
ASP A  71
 None
 1.16A 5kf8A-4jndA:
undetectable		 5kf8A-4jndA:
21.44
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.
5OH1_C_9UQC202_0
(CEREBLON ISOFORM 4)		 4jnd CA(2+)/CALMODULIN-DE
PENDENT PROTEIN
KINASE PHOSPHATASE
(Caenorhabditis
elegans) 		4 / 8 ASN A 116
PRO A 117
GLU A 247
TYR A 212
 None
 1.25A 5oh1C-4jndA:
undetectable		 5oh1C-4jndA:
13.51