SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4kri'

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.
1HXW_B_RITB301_2
(HIV-1 PROTEASE)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
5 / 11 GLY A 234
ASP A 268
VAL A 263
GLY A 248
VAL A 258
None
0.87A 1hxwB-4kriA:
undetectable
1hxwB-4kriA:
14.11
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.
1KIA_A_SAMA293_0
(GLYCINE
N-METHYLTRANSFERASE)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
5 / 12 TYR A 183
GLY A 230
SER A 252
MET A 255
HIS A 299
SAH  A 701 ( 4.2A)
SAH  A 701 (-3.5A)
SAH  A 701 (-4.7A)
SAH  A 701 (-3.9A)
SAH  A 701 (-4.2A)
0.75A 1kiaA-4kriA:
16.0
1kiaA-4kriA:
20.77
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.
1KIA_D_SAMD3293_0
(GLYCINE
N-METHYLTRANSFERASE)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
5 / 12 TYR A 183
GLY A 230
SER A 252
MET A 255
HIS A 299
SAH  A 701 ( 4.2A)
SAH  A 701 (-3.5A)
SAH  A 701 (-4.7A)
SAH  A 701 (-3.9A)
SAH  A 701 (-4.2A)
0.75A 1kiaD-4kriA:
16.6
1kiaD-4kriA:
20.77
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.
1MCN_P_DHIP1_0
(IMMUNOGLOBULIN
LAMBDA DIMER MCG
(LIGHT CHAIN)
PEPTIDE
N-ACETYL-D-HIS-L-PRO
-NH2)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
3 / 3 PHE A 195
TYR A 325
PRO A 202
None
1SH  A 702 (-4.2A)
None
1.15A 1mcnA-4kriA:
undetectable
1mcnB-4kriA:
undetectable
1mcnP-4kriA:
undetectable
1mcnA-4kriA:
15.94
1mcnB-4kriA:
15.94
1mcnP-4kriA:
0.46
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.
1NBH_A_SAMA293_0
(GLYCINE
N-METHYLTRANSFERASE)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
5 / 12 TYR A 183
GLY A 230
SER A 252
MET A 255
HIS A 299
SAH  A 701 ( 4.2A)
SAH  A 701 (-3.5A)
SAH  A 701 (-4.7A)
SAH  A 701 (-3.9A)
SAH  A 701 (-4.2A)
0.67A 1nbhA-4kriA:
16.4
1nbhA-4kriA:
20.77
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.
1NBH_B_SAMB1293_0
(GLYCINE
N-METHYLTRANSFERASE)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
5 / 12 TYR A 183
GLY A 230
SER A 252
MET A 255
HIS A 299
SAH  A 701 ( 4.2A)
SAH  A 701 (-3.5A)
SAH  A 701 (-4.7A)
SAH  A 701 (-3.9A)
SAH  A 701 (-4.2A)
0.67A 1nbhB-4kriA:
18.5
1nbhB-4kriA:
20.77
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.
1NBH_C_SAMC2293_0
(GLYCINE
N-METHYLTRANSFERASE)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
5 / 12 TYR A 183
GLY A 230
SER A 252
MET A 255
HIS A 299
SAH  A 701 ( 4.2A)
SAH  A 701 (-3.5A)
SAH  A 701 (-4.7A)
SAH  A 701 (-3.9A)
SAH  A 701 (-4.2A)
0.67A 1nbhC-4kriA:
18.3
1nbhC-4kriA:
20.77
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.
1NBH_D_SAMD3293_0
(GLYCINE
N-METHYLTRANSFERASE)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
5 / 12 TYR A 183
GLY A 230
SER A 252
MET A 255
HIS A 299
SAH  A 701 ( 4.2A)
SAH  A 701 (-3.5A)
SAH  A 701 (-4.7A)
SAH  A 701 (-3.9A)
SAH  A 701 (-4.2A)
0.68A 1nbhD-4kriA:
17.9
1nbhD-4kriA:
20.77
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.
1NBI_C_SAMC2293_0
(GLYCINE
N-METHYLTRANSFERASE)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
5 / 12 TYR A 183
GLY A 230
SER A 252
MET A 255
HIS A 299
SAH  A 701 ( 4.2A)
SAH  A 701 (-3.5A)
SAH  A 701 (-4.7A)
SAH  A 701 (-3.9A)
SAH  A 701 (-4.2A)
0.88A 1nbiC-4kriA:
undetectable
1nbiC-4kriA:
20.77
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.
1NBI_D_SAMD3293_0
(GLYCINE
N-METHYLTRANSFERASE)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
5 / 12 TYR A 183
GLY A 230
SER A 252
MET A 255
HIS A 299
SAH  A 701 ( 4.2A)
SAH  A 701 (-3.5A)
SAH  A 701 (-4.7A)
SAH  A 701 (-3.9A)
SAH  A 701 (-4.2A)
0.87A 1nbiD-4kriA:
undetectable
1nbiD-4kriA:
20.77
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.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
4 / 8 PHE A 362
PHE A 307
ALA A 427
ILE A 365
None
1.09A 1pnlA-4kriA:
undetectable
1pnlB-4kriA:
undetectable
1pnlA-4kriA:
20.46
1pnlB-4kriA:
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.
1WRL_E_TFPE212_1
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
4 / 7 PHE A 155
PHE A 136
MET A 113
MET A 110
None
1.02A 1wrlE-4kriA:
undetectable
1wrlE-4kriA:
11.96
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.
1ZQ9_A_SAMA4000_0
(PROBABLE
DIMETHYLADENOSINE
TRANSFERASE)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
5 / 12 ILE A 200
GLY A 230
LEU A 251
ASP A 277
ILE A 300
SAH  A 701 ( 4.5A)
SAH  A 701 (-3.5A)
SAH  A 701 (-4.4A)
SAH  A 701 (-3.4A)
SAH  A 701 (-4.5A)
0.94A 1zq9A-4kriA:
12.9
1zq9A-4kriA:
22.10
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.
2FK8_A_SAMA302_0
(METHOXY MYCOLIC ACID
SYNTHASE 4)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
5 / 12 ILE A 227
GLY A 228
GLY A 230
LEU A 251
HIS A 299
None
SAH  A 701 (-3.5A)
SAH  A 701 (-3.5A)
SAH  A 701 (-4.4A)
SAH  A 701 (-4.2A)
0.63A 2fk8A-4kriA:
26.4
2fk8A-4kriA:
21.63
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.
2GLU_A_SAMA301_0
(YCGJ)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
5 / 12 GLY A 228
ASP A 250
ALA A 278
ARG A 294
HIS A 299
SAH  A 701 (-3.5A)
SAH  A 701 (-2.7A)
SAH  A 701 (-3.7A)
None
SAH  A 701 (-4.2A)
0.69A 2gluA-4kriA:
19.5
2gluA-4kriA:
19.45
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.
2GLU_A_SAMA301_0
(YCGJ)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
5 / 12 GLY A 228
GLY A 230
ASP A 250
ALA A 278
HIS A 299
SAH  A 701 (-3.5A)
SAH  A 701 (-3.5A)
SAH  A 701 (-2.7A)
SAH  A 701 (-3.7A)
SAH  A 701 (-4.2A)
0.57A 2gluA-4kriA:
19.5
2gluA-4kriA:
19.45
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.
2GLU_B_SAMB302_0
(YCGJ)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
5 / 12 GLY A 228
GLY A 230
ALA A 278
ARG A 294
HIS A 299
SAH  A 701 (-3.5A)
SAH  A 701 (-3.5A)
SAH  A 701 (-3.7A)
None
SAH  A 701 (-4.2A)
0.62A 2gluB-4kriA:
19.2
2gluB-4kriA:
19.45
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.
2Q5K_A_AB1A201_2
(PROTEASE)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
5 / 12 GLY A 234
ASP A 268
VAL A 263
GLY A 248
VAL A 258
None
0.93A 2q5kB-4kriA:
undetectable
2q5kB-4kriA:
13.61
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.
2YGN_A_PCFA1179_1
(WNT INHIBITORY
FACTOR 1)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
4 / 5 ILE A 363
PHE A 425
VAL A 249
PHE A 215
None
1.27A 2ygnA-4kriA:
undetectable
2ygnA-4kriA:
16.98
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.
2ZXW_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
4 / 6 LEU A 412
GLN A 413
LEU A 378
PHE A 374
None
1.01A 2zxwP-4kriA:
undetectable
2zxwW-4kriA:
undetectable
2zxwP-4kriA:
21.21
2zxwW-4kriA:
9.28
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.
3AG1_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
4 / 6 LEU A 412
GLN A 413
LEU A 378
PHE A 374
None
0.94A 3ag1C-4kriA:
undetectable
3ag1J-4kriA:
undetectable
3ag1C-4kriA:
21.21
3ag1J-4kriA:
9.28
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.
3BF1_B_PAUB248_0
(TYPE III
PANTOTHENATE KINASE)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
5 / 12 LEU A 350
VAL A 327
GLY A 328
ASP A 418
THR A 371
None
1.22A 3bf1A-4kriA:
undetectable
3bf1B-4kriA:
undetectable
3bf1A-4kriA:
21.35
3bf1B-4kriA:
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.
3BRF_A_SORA1_0
(LIN-12 AND GLP-1
PHENOTYPE PROTEIN 1,
ISOFORM A)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
3 / 3 GLY A 230
ASP A 250
SER A 252
SAH  A 701 (-3.5A)
SAH  A 701 (-2.7A)
SAH  A 701 (-4.7A)
0.70A 3brfA-4kriA:
undetectable
3brfA-4kriA:
24.07
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.
3DLC_A_SAMA220_0
(PUTATIVE
S-ADENOSYL-L-METHION
INE-DEPENDENT
METHYLTRANSFERASE)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
5 / 12 GLY A 228
GLY A 230
SER A 252
ASP A 277
ARG A 294
SAH  A 701 (-3.5A)
SAH  A 701 (-3.5A)
SAH  A 701 (-4.7A)
SAH  A 701 (-3.4A)
None
0.81A 3dlcA-4kriA:
18.0
3dlcA-4kriA:
18.63
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.
3E23_A_SAMA221_0
(UNCHARACTERIZED
PROTEIN RPA2492)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
5 / 12 TYR A 183
GLY A 230
SER A 252
CYH A 296
HIS A 299
SAH  A 701 ( 4.2A)
SAH  A 701 (-3.5A)
SAH  A 701 (-4.7A)
SAH  A 701 (-3.4A)
SAH  A 701 (-4.2A)
0.77A 3e23A-4kriA:
19.7
3e23A-4kriA:
20.52
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.
3FUU_A_ADNA0_1
(DIMETHYLADENOSINE
TRANSFERASE)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
5 / 12 GLY A 228
GLY A 230
ASP A 277
ALA A 278
ILE A 300
SAH  A 701 (-3.5A)
SAH  A 701 (-3.5A)
SAH  A 701 (-3.4A)
SAH  A 701 (-3.7A)
SAH  A 701 (-4.5A)
0.53A 3fuuA-4kriA:
12.7
3fuuA-4kriA:
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.
3GRV_A_ADNA300_1
(DIMETHYLADENOSINE
TRANSFERASE)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
5 / 11 GLY A 228
GLY A 230
ASP A 277
ALA A 278
ILE A 300
SAH  A 701 (-3.5A)
SAH  A 701 (-3.5A)
SAH  A 701 (-3.4A)
SAH  A 701 (-3.7A)
SAH  A 701 (-4.5A)
0.73A 3grvA-4kriA:
13.5
3grvA-4kriA:
23.39
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.
3LP9_D_SPMD230_1
(LS-24)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
3 / 3 GLU A 266
GLU A 192
ASN A 198
None
0.79A 3lp9B-4kriA:
undetectable
3lp9D-4kriA:
undetectable
3lp9B-4kriA:
19.22
3lp9D-4kriA:
19.22
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.
3OU7_C_SAMC300_1
(SAM-DEPENDENT
METHYLTRANSFERASE)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
3 / 3 GLY A 230
ASP A 250
ASP A 277
SAH  A 701 (-3.5A)
SAH  A 701 (-2.7A)
SAH  A 701 (-3.4A)
0.26A 3ou7C-4kriA:
17.0
3ou7C-4kriA:
19.68
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.
3PFG_A_SAMA264_0
(N-METHYLTRANSFERASE)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
7 / 12 TYR A 183
GLY A 230
LEU A 251
SER A 252
MET A 255
ASP A 277
HIS A 299
SAH  A 701 ( 4.2A)
SAH  A 701 (-3.5A)
SAH  A 701 (-4.4A)
SAH  A 701 (-4.7A)
SAH  A 701 (-3.9A)
SAH  A 701 (-3.4A)
SAH  A 701 (-4.2A)
0.62A 3pfgA-4kriA:
16.1
3pfgA-4kriA:
20.87
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.
3PFG_A_SAMA264_0
(N-METHYLTRANSFERASE)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
5 / 12 TYR A 183
GLY A 230
SER A 252
MET A 255
PHE A 195
SAH  A 701 ( 4.2A)
SAH  A 701 (-3.5A)
SAH  A 701 (-4.7A)
SAH  A 701 (-3.9A)
None
1.29A 3pfgA-4kriA:
16.1
3pfgA-4kriA:
20.87
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.
3TJ7_A_ACTA609_0
(GBAA_1210 PROTEIN)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
3 / 3 LYS A  17
VAL A  15
HIS A  14
None
1.21A 3tj7A-4kriA:
undetectable
3tj7A-4kriA:
19.31
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.
3UJ6_A_SAMA300_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
6 / 12 LEU A 178
GLY A 230
ILE A 188
ARG A 294
ASP A 295
HIS A 299
SAH  A 701 ( 4.2A)
SAH  A 701 (-3.5A)
None
None
None
SAH  A 701 (-4.2A)
1.28A 3uj6A-4kriA:
38.6
3uj6A-4kriA:
23.80
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.
3UJ6_A_SAMA300_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
7 / 12 LEU A 178
TYR A 183
ILE A 200
GLY A 228
ARG A 294
ASP A 295
HIS A 299
SAH  A 701 ( 4.2A)
SAH  A 701 ( 4.2A)
SAH  A 701 ( 4.5A)
SAH  A 701 (-3.5A)
None
None
SAH  A 701 (-4.2A)
0.81A 3uj6A-4kriA:
38.6
3uj6A-4kriA:
23.80
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.
3UJ7_A_SAMA301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
5 / 12 LEU A 178
TYR A 183
GLY A 228
ARG A 294
HIS A 299
SAH  A 701 ( 4.2A)
SAH  A 701 ( 4.2A)
SAH  A 701 (-3.5A)
None
SAH  A 701 (-4.2A)
0.62A 3uj7A-4kriA:
38.4
3uj7A-4kriA:
23.80
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.
3UJ7_A_SAMA301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
6 / 12 LEU A 178
TYR A 183
ILE A 200
GLY A 228
ASP A 295
HIS A 299
SAH  A 701 ( 4.2A)
SAH  A 701 ( 4.2A)
SAH  A 701 ( 4.5A)
SAH  A 701 (-3.5A)
None
SAH  A 701 (-4.2A)
0.62A 3uj7A-4kriA:
38.4
3uj7A-4kriA:
23.80
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.
3UJ7_B_SAMB302_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
5 / 12 LEU A 178
GLY A 228
GLY A 230
ARG A 294
HIS A 299
SAH  A 701 ( 4.2A)
SAH  A 701 (-3.5A)
SAH  A 701 (-3.5A)
None
SAH  A 701 (-4.2A)
0.54A 3uj7B-4kriA:
38.7
3uj7B-4kriA:
23.80
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.
3UJ7_B_SAMB302_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
6 / 12 LEU A 178
ILE A 200
GLY A 228
GLY A 230
ASP A 295
HIS A 299
SAH  A 701 ( 4.2A)
SAH  A 701 ( 4.5A)
SAH  A 701 (-3.5A)
SAH  A 701 (-3.5A)
None
SAH  A 701 (-4.2A)
0.66A 3uj7B-4kriA:
38.7
3uj7B-4kriA:
23.80
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.
3UJ7_B_SAMB302_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
5 / 12 LEU A 314
GLY A 361
ILE A 310
ASP A 364
ALA A 427
None
0.86A 3uj7B-4kriA:
38.7
3uj7B-4kriA:
23.80
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.
3UJ7_B_SAMB302_1
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
4 / 5 TYR A 183
SER A 201
ASP A 250
ASP A 277
SAH  A 701 ( 4.2A)
SAH  A 701 (-2.7A)
SAH  A 701 (-2.7A)
SAH  A 701 (-3.4A)
0.42A 3uj7B-4kriA:
38.7
3uj7B-4kriA:
23.80
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.
4B17_A_SAMA1358_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
5 / 12 GLY A 228
GLY A 232
GLY A 234
ASP A 250
ASP A 277
SAH  A 701 (-3.5A)
None
None
SAH  A 701 (-2.7A)
SAH  A 701 (-3.4A)
1.03A 4b17A-4kriA:
11.6
4b17A-4kriA:
23.50
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.
4BLV_A_SAMA1281_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
5 / 12 LEU A 178
ASP A 226
GLY A 230
GLY A 233
LEU A 251
SAH  A 701 ( 4.2A)
SAH  A 701 ( 4.6A)
SAH  A 701 (-3.5A)
None
SAH  A 701 (-4.4A)
0.79A 4blvA-4kriA:
10.2
4blvA-4kriA:
20.53
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.
4FGZ_A_CQAA302_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
4 / 7 GLU A 338
TYR A 339
GLY A 407
LYS A 411
None
1SH  A 702 (-4.6A)
None
1SH  A 702 (-2.6A)
1.08A 4fgzA-4kriA:
38.6
4fgzA-4kriA:
23.80
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.
4FGZ_A_CQAA302_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
4 / 7 TYR A 339
ARG A 343
GLY A 407
LYS A 411
1SH  A 702 (-4.6A)
1SH  A 702 (-4.0A)
None
1SH  A 702 (-2.6A)
0.58A 4fgzA-4kriA:
38.6
4fgzA-4kriA:
23.80
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.
4FGZ_B_CQAB302_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
4 / 8 TYR A 339
ARG A 343
GLY A 407
LYS A 411
1SH  A 702 (-4.6A)
1SH  A 702 (-4.0A)
None
1SH  A 702 (-2.6A)
0.60A 4fgzA-4kriA:
38.6
4fgzB-4kriA:
38.5
4fgzA-4kriA:
23.80
4fgzB-4kriA:
23.80
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.
4FP9_D_SAMD401_0
(METHYLTRANSFERASE
NSUN4)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
5 / 12 GLY A 232
GLY A 233
LEU A 251
SER A 252
ASP A 277
None
None
SAH  A 701 (-4.4A)
SAH  A 701 (-4.7A)
SAH  A 701 (-3.4A)
0.47A 4fp9D-4kriA:
11.3
4fp9D-4kriA:
24.78
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.
4FP9_D_SAMD401_0
(METHYLTRANSFERASE
NSUN4)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
5 / 12 GLY A 232
GLY A 234
LEU A 251
SER A 252
ASP A 277
None
None
SAH  A 701 (-4.4A)
SAH  A 701 (-4.7A)
SAH  A 701 (-3.4A)
0.97A 4fp9D-4kriA:
11.3
4fp9D-4kriA:
24.78
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.
4FZV_A_SAMA401_0
(PUTATIVE
METHYLTRANSFERASE
NSUN4)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
5 / 12 GLY A 232
GLY A 233
LEU A 251
SER A 252
ASP A 277
None
None
SAH  A 701 (-4.4A)
SAH  A 701 (-4.7A)
SAH  A 701 (-3.4A)
0.36A 4fzvA-4kriA:
11.2
4fzvA-4kriA:
24.78
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.
4FZV_A_SAMA401_0
(PUTATIVE
METHYLTRANSFERASE
NSUN4)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
5 / 12 GLY A 232
GLY A 234
LEU A 251
SER A 252
ASP A 277
None
None
SAH  A 701 (-4.4A)
SAH  A 701 (-4.7A)
SAH  A 701 (-3.4A)
0.90A 4fzvA-4kriA:
11.2
4fzvA-4kriA:
24.78
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.
4HTF_A_SAMA301_0
(S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
5 / 12 GLY A 228
GLY A 230
LEU A 251
SER A 252
ALA A 278
SAH  A 701 (-3.5A)
SAH  A 701 (-3.5A)
SAH  A 701 (-4.4A)
SAH  A 701 (-4.7A)
SAH  A 701 (-3.7A)
0.64A 4htfA-4kriA:
17.5
4htfA-4kriA:
21.87
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.
4HTF_B_SAMB301_0
(S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
5 / 12 GLY A 228
GLY A 230
LEU A 251
SER A 252
ALA A 278
SAH  A 701 (-3.5A)
SAH  A 701 (-3.5A)
SAH  A 701 (-4.4A)
SAH  A 701 (-4.7A)
SAH  A 701 (-3.7A)
0.60A 4htfB-4kriA:
16.8
4htfB-4kriA:
21.87
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.
4IV0_A_SAMA302_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
6 / 12 TYR A 183
ILE A 200
GLY A 228
GLY A 230
ARG A 294
HIS A 299
SAH  A 701 ( 4.2A)
SAH  A 701 ( 4.5A)
SAH  A 701 (-3.5A)
SAH  A 701 (-3.5A)
None
SAH  A 701 (-4.2A)
0.71A 4iv0A-4kriA:
38.1
4iv0A-4kriA:
23.73
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.
4IV0_A_SAMA302_1
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
4 / 4 SER A 201
ASP A 250
MET A 255
ASP A 277
SAH  A 701 (-2.7A)
SAH  A 701 (-2.7A)
SAH  A 701 (-3.9A)
SAH  A 701 (-3.4A)
0.79A 4iv0A-4kriA:
38.1
4iv0A-4kriA:
23.73
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.
4IV0_B_SAMB302_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
5 / 12 TYR A 183
GLY A 230
MET A 255
ILE A 227
HIS A 299
SAH  A 701 ( 4.2A)
SAH  A 701 (-3.5A)
SAH  A 701 (-3.9A)
None
SAH  A 701 (-4.2A)
1.05A 4iv0B-4kriA:
36.7
4iv0B-4kriA:
23.73
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.
4IV0_B_SAMB302_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
8 / 12 TYR A 183
ILE A 200
GLY A 228
GLY A 230
MET A 255
ASP A 277
ARG A 294
HIS A 299
SAH  A 701 ( 4.2A)
SAH  A 701 ( 4.5A)
SAH  A 701 (-3.5A)
SAH  A 701 (-3.5A)
SAH  A 701 (-3.9A)
SAH  A 701 (-3.4A)
None
SAH  A 701 (-4.2A)
0.81A 4iv0B-4kriA:
36.7
4iv0B-4kriA:
23.73
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.
4IV8_A_SAMA301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
6 / 12 GLY A 228
GLY A 230
ASP A 250
ASP A 277
ARG A 294
LEU A 306
SAH  A 701 (-3.5A)
SAH  A 701 (-3.5A)
SAH  A 701 (-2.7A)
SAH  A 701 (-3.4A)
None
None
1.26A 4iv8A-4kriA:
33.3
4iv8A-4kriA:
23.04
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.
4IV8_A_SAMA301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
7 / 12 GLY A 228
GLY A 230
ASP A 250
MET A 255
ASP A 277
ARG A 294
HIS A 299
SAH  A 701 (-3.5A)
SAH  A 701 (-3.5A)
SAH  A 701 (-2.7A)
SAH  A 701 (-3.9A)
SAH  A 701 (-3.4A)
None
SAH  A 701 (-4.2A)
0.69A 4iv8A-4kriA:
33.3
4iv8A-4kriA:
23.04
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.
4IV8_B_SAMB301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
6 / 12 GLY A 228
GLY A 230
ASP A 250
ASP A 277
ARG A 294
LEU A 306
SAH  A 701 (-3.5A)
SAH  A 701 (-3.5A)
SAH  A 701 (-2.7A)
SAH  A 701 (-3.4A)
None
None
1.22A 4iv8B-4kriA:
33.2
4iv8B-4kriA:
23.04
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.
4IV8_B_SAMB301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
7 / 12 GLY A 228
GLY A 230
ASP A 250
MET A 255
ASP A 277
ARG A 294
HIS A 299
SAH  A 701 (-3.5A)
SAH  A 701 (-3.5A)
SAH  A 701 (-2.7A)
SAH  A 701 (-3.9A)
SAH  A 701 (-3.4A)
None
SAH  A 701 (-4.2A)
0.73A 4iv8B-4kriA:
33.2
4iv8B-4kriA:
23.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KRH_A_SAMA900_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
2)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
12 / 12 PHE A 174
TYR A 183
GLY A 228
GLY A 230
LEU A 251
SER A 252
ASP A 277
ALA A 278
ARG A 294
CYH A 296
HIS A 299
ILE A 300
SAH  A 701 ( 4.8A)
SAH  A 701 ( 4.2A)
SAH  A 701 (-3.5A)
SAH  A 701 (-3.5A)
SAH  A 701 (-4.4A)
SAH  A 701 (-4.7A)
SAH  A 701 (-3.4A)
SAH  A 701 (-3.7A)
None
SAH  A 701 (-3.4A)
SAH  A 701 (-4.2A)
SAH  A 701 (-4.5A)
0.24A 4krhA-4kriA:
63.5
4krhA-4kriA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KRH_B_SAMB900_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
2)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
12 / 12 PHE A 174
TYR A 183
PHE A 199
GLY A 228
GLY A 230
LEU A 251
SER A 252
ALA A 278
ARG A 294
CYH A 296
HIS A 299
ILE A 300
SAH  A 701 ( 4.8A)
SAH  A 701 ( 4.2A)
None
SAH  A 701 (-3.5A)
SAH  A 701 (-3.5A)
SAH  A 701 (-4.4A)
SAH  A 701 (-4.7A)
SAH  A 701 (-3.7A)
None
SAH  A 701 (-3.4A)
SAH  A 701 (-4.2A)
SAH  A 701 (-4.5A)
0.19A 4krhB-4kriA:
64.4
4krhB-4kriA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KRH_B_SAMB900_1
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
2)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
4 / 4 ILE A 200
SER A 201
ASP A 250
ASP A 277
SAH  A 701 ( 4.5A)
SAH  A 701 (-2.7A)
SAH  A 701 (-2.7A)
SAH  A 701 (-3.4A)
0.14A 4krhB-4kriA:
64.4
4krhB-4kriA:
100.00
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.
4MWZ_A_SAMA301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
5 / 12 TYR A 183
GLY A 230
MET A 255
ILE A 227
HIS A 299
SAH  A 701 ( 4.2A)
SAH  A 701 (-3.5A)
SAH  A 701 (-3.9A)
None
SAH  A 701 (-4.2A)
1.05A 4mwzA-4kriA:
36.3
4mwzA-4kriA:
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.
4MWZ_A_SAMA301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
7 / 12 TYR A 183
ILE A 200
GLY A 228
GLY A 230
MET A 255
ARG A 294
HIS A 299
SAH  A 701 ( 4.2A)
SAH  A 701 ( 4.5A)
SAH  A 701 (-3.5A)
SAH  A 701 (-3.5A)
SAH  A 701 (-3.9A)
None
SAH  A 701 (-4.2A)
0.84A 4mwzA-4kriA:
36.3
4mwzA-4kriA:
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.
4MWZ_A_SAMA301_1
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
3 / 3 SER A 201
ASP A 250
ASP A 277
SAH  A 701 (-2.7A)
SAH  A 701 (-2.7A)
SAH  A 701 (-3.4A)
0.52A 4mwzA-4kriA:
36.3
4mwzA-4kriA:
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.
4MWZ_B_SAMB301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
6 / 12 TYR A 183
ILE A 200
GLY A 228
GLY A 230
ARG A 294
HIS A 299
SAH  A 701 ( 4.2A)
SAH  A 701 ( 4.5A)
SAH  A 701 (-3.5A)
SAH  A 701 (-3.5A)
None
SAH  A 701 (-4.2A)
0.69A 4mwzB-4kriA:
38.2
4mwzB-4kriA:
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.
4MWZ_B_SAMB301_1
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
4 / 4 SER A 201
ASP A 250
MET A 255
ASP A 277
SAH  A 701 (-2.7A)
SAH  A 701 (-2.7A)
SAH  A 701 (-3.9A)
SAH  A 701 (-3.4A)
0.78A 4mwzB-4kriA:
38.2
4mwzB-4kriA:
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.
4QDJ_A_SAMA301_0
(MAGNESIUM-PROTOPORPH
YRIN
O-METHYLTRANSFERASE)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
5 / 12 GLY A 228
GLY A 230
SER A 252
MET A 255
HIS A 299
SAH  A 701 (-3.5A)
SAH  A 701 (-3.5A)
SAH  A 701 (-4.7A)
SAH  A 701 (-3.9A)
SAH  A 701 (-4.2A)
0.71A 4qdjA-4kriA:
18.8
4qdjA-4kriA:
19.77
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.
4QTU_B_SAMB301_0
(PUTATIVE
METHYLTRANSFERASE
BUD23)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
5 / 12 TYR A 183
GLY A 228
GLY A 230
SER A 252
MET A 255
SAH  A 701 ( 4.2A)
SAH  A 701 (-3.5A)
SAH  A 701 (-3.5A)
SAH  A 701 (-4.7A)
SAH  A 701 (-3.9A)
0.68A 4qtuB-4kriA:
19.2
4qtuB-4kriA:
20.05
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.
4UCI_A_SAMA2409_0
(RNA-DIRECTED RNA
POLYMERASE L)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
6 / 12 GLY A 228
GLY A 230
GLY A 232
ASN A 198
LEU A 251
ALA A 278
SAH  A 701 (-3.5A)
SAH  A 701 (-3.5A)
None
None
SAH  A 701 (-4.4A)
SAH  A 701 (-3.7A)
1.45A 4uciA-4kriA:
7.1
4uciA-4kriA:
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.
4UCI_B_SAMB2409_0
(RNA-DIRECTED RNA
POLYMERASE L)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
6 / 12 GLY A 228
GLY A 230
GLY A 232
ASN A 198
LEU A 251
ALA A 278
SAH  A 701 (-3.5A)
SAH  A 701 (-3.5A)
None
None
SAH  A 701 (-4.4A)
SAH  A 701 (-3.7A)
1.45A 4uciB-4kriA:
7.1
4uciB-4kriA:
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.
4UCK_A_SAMA2409_0
(RNA-DIRECTED RNA
POLYMERASE L)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
6 / 12 GLY A 228
GLY A 230
GLY A 232
ASN A 198
LEU A 251
ALA A 278
SAH  A 701 (-3.5A)
SAH  A 701 (-3.5A)
None
None
SAH  A 701 (-4.4A)
SAH  A 701 (-3.7A)
1.48A 4uckA-4kriA:
7.0
4uckA-4kriA:
22.78
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.
5E72_A_SAMA400_1
(N2,
N2-DIMETHYLGUANOSINE
TRNA
METHYLTRANSFERASE)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
4 / 4 ASP A 226
GLY A 230
ASP A 250
ASP A 277
SAH  A 701 ( 4.6A)
SAH  A 701 (-3.5A)
SAH  A 701 (-2.7A)
SAH  A 701 (-3.4A)
0.52A 5e72A-4kriA:
14.6
5e72A-4kriA:
22.85
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.
5JSD_A_1GNA615_1
(PHIAB6 TAILSPIKE)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
3 / 3 TYR A 345
TYR A 191
GLN A 182
1SH  A 702 (-4.8A)
1SH  A 702 (-4.1A)
1SH  A 702 (-4.0A)
0.92A 5jsdA-4kriA:
undetectable
5jsdB-4kriA:
undetectable
5jsdA-4kriA:
20.78
5jsdB-4kriA:
20.78
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.
5JSD_B_1GNB606_1
(PHIAB6 TAILSPIKE)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
3 / 3 TYR A 345
TYR A 191
GLN A 182
1SH  A 702 (-4.8A)
1SH  A 702 (-4.1A)
1SH  A 702 (-4.0A)
0.92A 5jsdB-4kriA:
undetectable
5jsdC-4kriA:
undetectable
5jsdB-4kriA:
20.78
5jsdC-4kriA:
20.78
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.
5KPC_B_SAMB401_0
(PAVINE
N-METHYLTRANSFERASE)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
5 / 12 SER A 201
GLY A 228
GLY A 230
SER A 252
ASP A 277
SAH  A 701 (-2.7A)
SAH  A 701 (-3.5A)
SAH  A 701 (-3.5A)
SAH  A 701 (-4.7A)
SAH  A 701 (-3.4A)
0.86A 5kpcB-4kriA:
22.6
5kpcB-4kriA:
22.78
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.
5MSD_A_BEZA1202_0
(CARBOXYLIC ACID
REDUCTASE)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
4 / 5 HIS A  13
ILE A  16
PHE A  41
ALA A  64
None
1.23A 5msdA-4kriA:
3.0
5msdA-4kriA:
17.59
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.
5Y7P_E_CHDE401_0
(BILE SALT HYDROLASE)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
4 / 8 ASN A 254
LEU A 104
LEU A 260
ALA A 257
None
0.78A 5y7pE-4kriA:
undetectable
5y7pE-4kriA:
20.45
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.
5YNI_A_SAMA401_0
(NSP16 PROTEIN)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
5 / 12 GLY A 228
GLY A 234
ASP A 250
LEU A 251
ASP A 277
SAH  A 701 (-3.5A)
None
SAH  A 701 (-2.7A)
SAH  A 701 (-4.4A)
SAH  A 701 (-3.4A)
0.63A 5yniA-4kriA:
8.4
5yniA-4kriA:
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.
5YNM_A_SAMA401_0
(NSP16 PROTEIN)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
5 / 12 GLY A 228
GLY A 234
ASP A 250
LEU A 251
ASP A 277
SAH  A 701 (-3.5A)
None
SAH  A 701 (-2.7A)
SAH  A 701 (-4.4A)
SAH  A 701 (-3.4A)
0.67A 5ynmA-4kriA:
8.5
5ynmA-4kriA:
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.
6NJ9_K_SAMK500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC)
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus)
5 / 12 ASP A 226
GLY A 228
GLY A 230
ASP A 277
PHE A 292
SAH  A 701 ( 4.6A)
SAH  A 701 (-3.5A)
SAH  A 701 (-3.5A)
SAH  A 701 (-3.4A)
None
0.69A 6nj9K-4kriA:
8.5
6nj9K-4kriA:
22.54