SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3nie'

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.
1TW4_A_CHDA130_0
(FATTY ACID-BINDING
PROTEIN)		 3nie MAP2 KINASE
(Plasmodium
falciparum) 		5 / 12 LEU A 370
LEU A 141
ALA A 364
ILE A 359
ILE A 339
 None
 1.02A 1tw4A-3nieA:
undetectable		 1tw4A-3nieA:
15.37
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.
1Z11_A_8MOA501_0
(CYTOCHROME P450,
FAMILY 2, SUBFAMILY
A, POLYPEPTIDE 6)		 3nie MAP2 KINASE
(Plasmodium
falciparum) 		5 / 11 PHE A 268
ILE A 301
GLY A 302
ILE A 321
LEU A 294
 None
 1.00A 1z11A-3nieA:
undetectable		 1z11A-3nieA:
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.
1Z11_B_8MOB501_0
(CYTOCHROME P450,
FAMILY 2, SUBFAMILY
A, POLYPEPTIDE 6)		 3nie MAP2 KINASE
(Plasmodium
falciparum) 		5 / 11 PHE A 268
ILE A 301
GLY A 302
ILE A 321
LEU A 294
 None
 1.02A 1z11B-3nieA:
undetectable		 1z11B-3nieA:
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.
1Z11_C_8MOC501_0
(CYTOCHROME P450,
FAMILY 2, SUBFAMILY
A, POLYPEPTIDE 6)		 3nie MAP2 KINASE
(Plasmodium
falciparum) 		5 / 10 PHE A 268
ILE A 301
GLY A 302
ILE A 321
LEU A 294
 None
 1.10A 1z11C-3nieA:
undetectable		 1z11C-3nieA:
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.
1Z11_D_8MOD501_0
(CYTOCHROME P450,
FAMILY 2, SUBFAMILY
A, POLYPEPTIDE 6)		 3nie MAP2 KINASE
(Plasmodium
falciparum) 		5 / 10 PHE A 268
ILE A 301
GLY A 302
ILE A 321
LEU A 294
 None
 1.03A 1z11D-3nieA:
undetectable		 1z11D-3nieA:
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.
2EVA_A_ADNA498_1
(TAK1 KINASE - TAB1
CHIMERA FUSION
PROTEIN)		 3nie MAP2 KINASE
(Plasmodium
falciparum) 		6 / 11 GLY A  37
GLY A  39
VAL A  44
ALA A  57
ALA A 114
LEU A 163
 ANP  A 430 (-3.5A)
ANP  A 430 (-3.0A)
ANP  A 430 (-4.2A)
ANP  A 430 (-3.5A)
ANP  A 430 (-3.9A)
ANP  A 430 (-4.4A)
 0.62A 2evaA-3nieA:
22.5		 2evaA-3nieA:
24.31
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.
2OUZ_A_C3DA999_0
(ESTROGEN RECEPTOR)		 3nie MAP2 KINASE
(Plasmodium
falciparum) 		5 / 12 LEU A 347
LEU A 141
ILE A 359
HIS A 367
LEU A 370
 None
 1.04A 2ouzA-3nieA:
undetectable		 2ouzA-3nieA:
20.96
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.
2Q83_A_ADNA1_1
(YTAA PROTEIN)		 3nie MAP2 KINASE
(Plasmodium
falciparum) 		4 / 7 ILE A 404
PRO A  98
LEU A  95
ILE A 409
 None
 0.84A 2q83A-3nieA:
2.8		 2q83A-3nieA:
21.35
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.
2XAD_E_GCSE710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)		 3nie MAP2 KINASE
(Plasmodium
falciparum) 		4 / 8 TRP A 241
ARG A 358
ILE A 301
ASP A 308
 None
 1.07A 2xadA-3nieA:
undetectable		 2xadA-3nieA:
19.08
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.
2XAD_F_GCSF710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)		 3nie MAP2 KINASE
(Plasmodium
falciparum) 		4 / 8 TRP A 241
ARG A 358
ILE A 301
ASP A 308
 None
 1.09A 2xadB-3nieA:
undetectable		 2xadB-3nieA:
19.08
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.
2XAD_G_GCSG710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)		 3nie MAP2 KINASE
(Plasmodium
falciparum) 		4 / 8 TRP A 241
ARG A 358
ILE A 301
ASP A 308
 None
 1.03A 2xadC-3nieA:
undetectable		 2xadC-3nieA:
19.08
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.
2XAD_H_GCSH710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)		 3nie MAP2 KINASE
(Plasmodium
falciparum) 		4 / 8 TRP A 241
ARG A 358
ILE A 301
ASP A 308
 None
 0.99A 2xadD-3nieA:
undetectable		 2xadD-3nieA:
19.08
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.
3EM0_B_CHDB153_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 3nie MAP2 KINASE
(Plasmodium
falciparum) 		4 / 7 ILE A 109
PHE A 104
PHE A  65
GLY A  42
 None
None
None
ANP  A 430 (-3.9A)
 1.07A 3em0B-3nieA:
undetectable		 3em0B-3nieA:
15.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GP0_A_NILA1_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 11)		 3nie MAP2 KINASE
(Plasmodium
falciparum) 		6 / 12 VAL A  44
ALA A  57
GLU A  77
LEU A  81
ILE A  90
HIS A 154
 ANP  A 430 (-4.2A)
ANP  A 430 (-3.5A)
ANP  A 430 ( 4.4A)
None
ANP  A 430 ( 4.5A)
None
 1.03A 3gp0A-3nieA:
34.6		 3gp0A-3nieA:
33.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GP0_A_NILA1_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 11)		 3nie MAP2 KINASE
(Plasmodium
falciparum) 		6 / 12 VAL A  44
ALA A  57
LEU A  81
ILE A  90
HIS A 154
ASP A 174
 ANP  A 430 (-4.2A)
ANP  A 430 (-3.5A)
None
ANP  A 430 ( 4.5A)
None
ANP  A 430 (-2.8A)
 1.12A 3gp0A-3nieA:
34.6		 3gp0A-3nieA:
33.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HEC_A_STIA1_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)		 3nie MAP2 KINASE
(Plasmodium
falciparum) 		5 / 12 ALA A  57
LYS A  59
GLU A  77
LEU A  81
ILE A  90
 ANP  A 430 (-3.5A)
ANP  A 430 (-2.5A)
ANP  A 430 ( 4.4A)
None
ANP  A 430 ( 4.5A)
 0.74A 3hecA-3nieA:
33.5		 3hecA-3nieA:
33.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HEG_A_BAXA1_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)		 3nie MAP2 KINASE
(Plasmodium
falciparum) 		5 / 12 VAL A  44
ALA A  57
LYS A  59
LEU A  81
ILE A  90
 ANP  A 430 (-4.2A)
ANP  A 430 (-3.5A)
ANP  A 430 (-2.5A)
None
ANP  A 430 ( 4.5A)
 0.75A 3hegA-3nieA:
33.7		 3hegA-3nieA:
33.10
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.
3MJR_A_AC2A301_1
(DEOXYCYTIDINE KINASE)		 3nie MAP2 KINASE
(Plasmodium
falciparum) 		5 / 9 ILE A 312
GLU A 226
ARG A 358
PHE A 353
LEU A 309
 None
 1.01A 3mjrA-3nieA:
undetectable		 3mjrA-3nieA:
20.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OHT_A_1N1A1000_1
(P38A)		 3nie MAP2 KINASE
(Plasmodium
falciparum) 		6 / 12 GLY A  37
VAL A  44
ALA A  57
LYS A  59
ILE A  90
LEU A 163
 ANP  A 430 (-3.5A)
ANP  A 430 (-4.2A)
ANP  A 430 (-3.5A)
ANP  A 430 (-2.5A)
ANP  A 430 ( 4.5A)
ANP  A 430 (-4.4A)
 0.96A 3ohtA-3nieA:
26.8		 3ohtA-3nieA:
32.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OHT_A_1N1A1000_1
(P38A)		 3nie MAP2 KINASE
(Plasmodium
falciparum) 		6 / 12 GLY A  37
VAL A  44
ALA A  57
LYS A  59
LEU A  81
ILE A  90
 ANP  A 430 (-3.5A)
ANP  A 430 (-4.2A)
ANP  A 430 (-3.5A)
ANP  A 430 (-2.5A)
None
ANP  A 430 ( 4.5A)
 0.64A 3ohtA-3nieA:
26.8		 3ohtA-3nieA:
32.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OHT_B_1N1B1000_1
(P38A)		 3nie MAP2 KINASE
(Plasmodium
falciparum) 		5 / 12 GLY A  37
VAL A  44
ALA A  57
LYS A  59
LEU A  81
 ANP  A 430 (-3.5A)
ANP  A 430 (-4.2A)
ANP  A 430 (-3.5A)
ANP  A 430 (-2.5A)
None
 0.52A 3ohtB-3nieA:
26.9		 3ohtB-3nieA:
32.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OHT_B_1N1B1000_1
(P38A)		 3nie MAP2 KINASE
(Plasmodium
falciparum) 		5 / 12 VAL A  44
ALA A  57
LYS A  59
LEU A  81
ILE A  90
 ANP  A 430 (-4.2A)
ANP  A 430 (-3.5A)
ANP  A 430 (-2.5A)
None
ANP  A 430 ( 4.5A)
 0.48A 3ohtB-3nieA:
26.9		 3ohtB-3nieA:
32.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RGF_A_BAXA465_1
(CYCLIN-DEPENDENT
KINASE 8)		 3nie MAP2 KINASE
(Plasmodium
falciparum) 		7 / 12 VAL A  44
ALA A  57
GLU A  77
LEU A  81
ILE A  90
ALA A 114
HIS A 154
 ANP  A 430 (-4.2A)
ANP  A 430 (-3.5A)
ANP  A 430 ( 4.4A)
None
ANP  A 430 ( 4.5A)
ANP  A 430 (-3.9A)
None
 0.97A 3rgfA-3nieA:
6.7		 3rgfA-3nieA:
31.00
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.
3SJ0_X_DXCX75_0
(CYTOCHROME C7)		 3nie MAP2 KINASE
(Plasmodium
falciparum) 		4 / 7 ILE A 240
LYS A 134
PHE A 247
GLY A 343
 None
 1.23A 3sj0X-3nieA:
undetectable		 3sj0X-3nieA:
9.71
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.
3V5W_A_8PRA701_1
(G-PROTEIN COUPLED
RECEPTOR KINASE 2)		 3nie MAP2 KINASE
(Plasmodium
falciparum) 		7 / 12 ILE A  36
GLY A  39
GLY A  42
VAL A  44
ALA A  57
LYS A  59
LEU A 163
 ANP  A 430 (-4.4A)
ANP  A 430 (-3.0A)
ANP  A 430 (-3.9A)
ANP  A 430 (-4.2A)
ANP  A 430 (-3.5A)
ANP  A 430 (-2.5A)
ANP  A 430 (-4.4A)
 0.91A 3v5wA-3nieA:
7.4		 3v5wA-3nieA:
22.42
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.
4C8B_A_0LIA1000_1
(RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 2)		 3nie MAP2 KINASE
(Plasmodium
falciparum) 		7 / 12 ALA A  57
GLU A  77
LEU A  81
ILE A 109
HIS A 154
LEU A 163
ASP A 174
 ANP  A 430 (-3.5A)
ANP  A 430 ( 4.4A)
None
None
None
ANP  A 430 (-4.4A)
ANP  A 430 (-2.8A)
 1.01A 4c8bA-3nieA:
20.8		 4c8bA-3nieA:
27.78
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.
4C8B_A_0LIA1000_1
(RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 2)		 3nie MAP2 KINASE
(Plasmodium
falciparum) 		7 / 12 ALA A  57
LYS A  59
GLU A  77
LEU A  81
ILE A 109
HIS A 154
LEU A 163
 ANP  A 430 (-3.5A)
ANP  A 430 (-2.5A)
ANP  A 430 ( 4.4A)
None
None
None
ANP  A 430 (-4.4A)
 0.77A 4c8bA-3nieA:
20.8		 4c8bA-3nieA:
27.78
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.
4C8B_B_0LIB1000_1
(RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 2)		 3nie MAP2 KINASE
(Plasmodium
falciparum) 		7 / 12 ALA A  57
LYS A  59
GLU A  77
LEU A  81
ILE A  89
HIS A 154
LEU A 163
 ANP  A 430 (-3.5A)
ANP  A 430 (-2.5A)
ANP  A 430 ( 4.4A)
None
None
None
ANP  A 430 (-4.4A)
 0.82A 4c8bB-3nieA:
20.9		 4c8bB-3nieA:
27.78
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.
4CKI_A_ADNA2022_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET)		 3nie MAP2 KINASE
(Plasmodium
falciparum) 		6 / 11 GLY A  37
GLY A  39
VAL A  44
ALA A  57
ALA A 114
LEU A 163
 ANP  A 430 (-3.5A)
ANP  A 430 (-3.0A)
ANP  A 430 (-4.2A)
ANP  A 430 (-3.5A)
ANP  A 430 (-3.9A)
ANP  A 430 (-4.4A)
 0.76A 4ckiA-3nieA:
23.9		 4ckiA-3nieA:
22.48
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.
4F5Z_A_BEZA302_0
(HALOALKANE
DEHALOGENASE)		 3nie MAP2 KINASE
(Plasmodium
falciparum) 		4 / 8 ASP A  70
VAL A 218
HIS A 216
TYR A  41
 None
None
None
ANP  A 430 (-4.9A)
 1.20A 4f5zA-3nieA:
undetectable		 4f5zA-3nieA:
21.09
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.
4G1B_B_ECNB403_1
(FLAVOHEMOGLOBIN)		 3nie MAP2 KINASE
(Plasmodium
falciparum) 		6 / 11 ILE A 246
THR A 243
PHE A 247
LEU A 140
VAL A 170
LEU A 250
 None
 1.19A 4g1bB-3nieA:
2.2		 4g1bB-3nieA:
22.32
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.
4G1B_D_ECND403_1
(FLAVOHEMOGLOBIN)		 3nie MAP2 KINASE
(Plasmodium
falciparum) 		6 / 12 ILE A 246
THR A 243
PHE A 247
LEU A 140
VAL A 170
LEU A 250
 None
 1.18A 4g1bD-3nieA:
undetectable		 4g1bD-3nieA:
22.32
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.
4IAA_A_RTZA401_1
(SERINE/THREONINE-PRO
TEIN KINASE PIM-1)		 3nie MAP2 KINASE
(Plasmodium
falciparum) 		5 / 11 VAL A  44
ALA A  57
LYS A  59
LEU A 111
ASP A 174
 ANP  A 430 (-4.2A)
ANP  A 430 (-3.5A)
ANP  A 430 (-2.5A)
ANP  A 430 ( 4.1A)
ANP  A 430 (-2.8A)
 0.43A 4iaaA-3nieA:
22.4		 4iaaA-3nieA:
22.40
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.
4KIC_B_SAMB401_1
(METHYLTRANSFERASE
MPPJ)		 3nie MAP2 KINASE
(Plasmodium
falciparum) 		3 / 3 ARG A 223
ASP A 174
ASP A 117
 None
ANP  A 430 (-2.8A)
ANP  A 430 (-3.3A)
 0.73A 4kicB-3nieA:
undetectable		 4kicB-3nieA:
22.22
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.
4KR4_C_AICC401_1
(OUTER MEMBRANE
PROTEIN F)		 3nie MAP2 KINASE
(Plasmodium
falciparum) 		4 / 8 ARG A 223
ARG A 155
ARG A 179
ASP A  70
 None
 1.29A 4kr4C-3nieA:
undetectable		 4kr4C-3nieA:
18.59
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.
4LVC_B_ADNB501_2
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE))		 3nie MAP2 KINASE
(Plasmodium
falciparum) 		4 / 5 THR A 243
THR A 135
LEU A 164
LEU A 118
 None
 1.06A 4lvcB-3nieA:
undetectable		 4lvcB-3nieA:
20.40
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.
4MKC_A_4MKA1503_1
(ALK TYROSINE KINASE
RECEPTOR)		 3nie MAP2 KINASE
(Plasmodium
falciparum) 		6 / 12 VAL A  44
ALA A  57
LYS A  59
LEU A 111
LEU A 163
ASP A 174
 ANP  A 430 (-4.2A)
ANP  A 430 (-3.5A)
ANP  A 430 (-2.5A)
ANP  A 430 ( 4.1A)
ANP  A 430 (-4.4A)
ANP  A 430 (-2.8A)
 0.55A 4mkcA-3nieA:
21.4		 4mkcA-3nieA:
24.55
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.
4OGR_A_ADNA401_1
(CYCLIN-DEPENDENT
KINASE 9)		 3nie MAP2 KINASE
(Plasmodium
falciparum) 		5 / 8 ILE A  36
VAL A  44
ALA A  57
ASP A 117
LEU A 163
 ANP  A 430 (-4.4A)
ANP  A 430 (-4.2A)
ANP  A 430 (-3.5A)
ANP  A 430 (-3.3A)
ANP  A 430 (-4.4A)
 0.55A 4ogrA-3nieA:
29.8		 4ogrA-3nieA:
28.05
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.
4OGR_E_ADNE401_1
(CYCLIN-DEPENDENT
KINASE 9)		 3nie MAP2 KINASE
(Plasmodium
falciparum) 		5 / 7 GLY A  39
ASP A 117
ASN A 161
LEU A 163
ASP A 174
 ANP  A 430 (-3.0A)
ANP  A 430 (-3.3A)
None
ANP  A 430 (-4.4A)
ANP  A 430 (-2.8A)
 1.10A 4ogrE-3nieA:
28.7		 4ogrE-3nieA:
28.05
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.
4QMS_A_1N1A401_1
(SERINE/THREONINE-PRO
TEIN KINASE 24)		 3nie MAP2 KINASE
(Plasmodium
falciparum) 		6 / 11 ILE A  36
ALA A  57
LYS A  59
GLU A  77
ILE A 109
ASP A 174
 ANP  A 430 (-4.4A)
ANP  A 430 (-3.5A)
ANP  A 430 (-2.5A)
ANP  A 430 ( 4.4A)
None
ANP  A 430 (-2.8A)
 0.85A 4qmsA-3nieA:
24.3		 4qmsA-3nieA:
28.11
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.
4R38_A_RBFA201_2
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 3nie MAP2 KINASE
(Plasmodium
falciparum) 		4 / 8 THR A 124
ILE A 258
LEU A 250
ILE A 136
 None
 0.77A 4r38A-3nieA:
undetectable		 4r38A-3nieA:
18.02
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.
4R7I_A_STIA1001_1
(MACROPHAGE
COLONY-STIMULATING
FACTOR 1 RECEPTOR)		 3nie MAP2 KINASE
(Plasmodium
falciparum) 		6 / 12 VAL A  44
ALA A  57
LYS A  59
GLU A  77
LEU A 163
ASP A 174
 ANP  A 430 (-4.2A)
ANP  A 430 (-3.5A)
ANP  A 430 (-2.5A)
ANP  A 430 ( 4.4A)
ANP  A 430 (-4.4A)
ANP  A 430 (-2.8A)
 0.79A 4r7iA-3nieA:
19.9		 4r7iA-3nieA:
24.89
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.
4TYJ_A_0LIA801_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		 3nie MAP2 KINASE
(Plasmodium
falciparum) 		6 / 12 ALA A  57
GLU A  77
ALA A 114
HIS A 154
LEU A 163
ASP A 174
 ANP  A 430 (-3.5A)
ANP  A 430 ( 4.4A)
ANP  A 430 (-3.9A)
None
ANP  A 430 (-4.4A)
ANP  A 430 (-2.8A)
 1.04A 4tyjA-3nieA:
21.0		 4tyjA-3nieA:
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.
4TYJ_A_0LIA801_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		 3nie MAP2 KINASE
(Plasmodium
falciparum) 		6 / 12 ALA A  57
ILE A  80
ALA A 114
HIS A 154
LEU A 163
ASP A 174
 ANP  A 430 (-3.5A)
None
ANP  A 430 (-3.9A)
None
ANP  A 430 (-4.4A)
ANP  A 430 (-2.8A)
 1.24A 4tyjA-3nieA:
21.0		 4tyjA-3nieA:
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.
4UXQ_A_0LIA1752_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		 3nie MAP2 KINASE
(Plasmodium
falciparum) 		4 / 7 VAL A  44
ILE A  90
ALA A 114
ILE A 172
 ANP  A 430 (-4.2A)
ANP  A 430 ( 4.5A)
ANP  A 430 (-3.9A)
None
 0.60A 4uxqA-3nieA:
20.6		 4uxqA-3nieA:
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.
4V01_B_0LIB1770_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 3nie MAP2 KINASE
(Plasmodium
falciparum) 		6 / 9 VAL A  44
LYS A  59
ILE A  80
ILE A  90
LEU A 163
ILE A 172
 ANP  A 430 (-4.2A)
ANP  A 430 (-2.5A)
None
ANP  A 430 ( 4.5A)
ANP  A 430 (-4.4A)
None
 0.96A 4v01B-3nieA:
20.6		 4v01B-3nieA:
23.78
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.
4X1G_A_3WFA501_1
(NUCLEAR RECEPTOR
SUBFAMILY 1 GROUP I
MEMBER 2)		 3nie MAP2 KINASE
(Plasmodium
falciparum) 		5 / 12 LEU A 118
SER A 116
LEU A 250
MET A 253
ILE A 136
 None
 1.14A 4x1gA-3nieA:
undetectable		 4x1gA-3nieA:
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.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		 3nie MAP2 KINASE
(Plasmodium
falciparum) 		6 / 12 VAL A  44
ALA A  57
ILE A  90
ILE A 109
ALA A 114
CYH A 173
 ANP  A 430 (-4.2A)
ANP  A 430 (-3.5A)
ANP  A 430 ( 4.5A)
None
ANP  A 430 (-3.9A)
ANP  A 430 ( 3.8A)
 0.64A 5hesA-3nieA:
6.1		 5hesA-3nieA:
26.28
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.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		 3nie MAP2 KINASE
(Plasmodium
falciparum) 		6 / 12 VAL A  44
ALA A  57
LYS A  59
ILE A 109
ALA A 114
CYH A 173
 ANP  A 430 (-4.2A)
ANP  A 430 (-3.5A)
ANP  A 430 (-2.5A)
None
ANP  A 430 (-3.9A)
ANP  A 430 ( 3.8A)
 0.56A 5hesB-3nieA:
20.5		 5hesB-3nieA:
26.28
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.
5I9X_A_DB8A1001_1
(EPHRIN TYPE-A
RECEPTOR 2)		 3nie MAP2 KINASE
(Plasmodium
falciparum) 		6 / 12 ILE A  36
ALA A  57
GLU A  77
ILE A  90
ILE A 109
LEU A 163
 ANP  A 430 (-4.4A)
ANP  A 430 (-3.5A)
ANP  A 430 ( 4.4A)
ANP  A 430 ( 4.5A)
None
ANP  A 430 (-4.4A)
 0.65A 5i9xA-3nieA:
21.6		 5i9xA-3nieA:
23.31
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.
5LW1_B_ADNB401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 8)		 3nie MAP2 KINASE
(Plasmodium
falciparum) 		6 / 9 ILE A  36
GLY A  37
VAL A  44
ALA A  57
ILE A  90
LEU A 163
 ANP  A 430 (-4.4A)
ANP  A 430 (-3.5A)
ANP  A 430 (-4.2A)
ANP  A 430 (-3.5A)
ANP  A 430 ( 4.5A)
ANP  A 430 (-4.4A)
 1.28A 5lw1B-3nieA:
35.8		 5lw1B-3nieA:
16.52
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.
5MAF_A_XINA403_1
(MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE)		 3nie MAP2 KINASE
(Plasmodium
falciparum) 		7 / 12 ILE A  36
GLY A  37
VAL A  44
ALA A  57
LYS A  59
GLU A  77
LEU A 111
 ANP  A 430 (-4.4A)
ANP  A 430 (-3.5A)
ANP  A 430 (-4.2A)
ANP  A 430 (-3.5A)
ANP  A 430 (-2.5A)
ANP  A 430 ( 4.4A)
ANP  A 430 ( 4.1A)
 0.57A 5mafA-3nieA:
25.9		 5mafA-3nieA:
10.39
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.
5UMW_B_RBFB201_1
(GLYOXALASE/BLEOMYCIN
RESISANCE
PROTEIN/DIOXYGENASE)		 3nie MAP2 KINASE
(Plasmodium
falciparum) 		4 / 7 ARG A 374
TYR A 138
GLU A 379
LEU A 346
 None
 1.20A 5umwB-3nieA:
undetectable
5umwE-3nieA:
undetectable		 5umwB-3nieA:
12.25
5umwE-3nieA:
12.25
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)		 3nie MAP2 KINASE
(Plasmodium
falciparum) 		5 / 12 PHE A 381
PHE A 175
ALA A 178
ILE A 361
GLY A 143
 None
 1.05A 5veuB-3nieA:
undetectable		 5veuB-3nieA:
23.62
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.
6A4I_B_TRPB403_0
(TRYPTOPHAN
2,3-DIOXYGENASE)		 3nie MAP2 KINASE
(Plasmodium
falciparum) 		4 / 7 ARG A 223
TRP A 221
PRO A 159
PRO A 266
 None
 1.43A 6a4iB-3nieA:
undetectable		 6a4iB-3nieA:
25.38
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.
6FNM_A_1N1A1001_1
(-)		 3nie MAP2 KINASE
(Plasmodium
falciparum) 		7 / 12 ILE A  36
VAL A  44
ALA A  57
LYS A  59
GLU A  77
ILE A 109
LEU A 163
 ANP  A 430 (-4.4A)
ANP  A 430 (-4.2A)
ANP  A 430 (-3.5A)
ANP  A 430 (-2.5A)
ANP  A 430 ( 4.4A)
None
ANP  A 430 (-4.4A)
 0.82A 6fnmA-3nieA:
21.7		 6fnmA-3nieA:
23.61